USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -120:sc= 0.888 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= -0.0312 USER MOD Set 1.3: A 71 THR OG1 : rot 141:sc= 1.12 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.0439 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.22 K(o=0.18,f=-5.5!) USER MOD Set 2.3: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.555 K(o=-0.56,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0809) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 37 SER OG : rot 110:sc= -0.166 USER MOD Single : A 38 THR OG1 : rot -90:sc= 0.549 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 150:sc= -2.7! (180deg=-5.26!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0719 K(o=-0.072,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.748 USER MOD Single : A 58 GLN : amide:sc= -0.752 K(o=-0.75,f=-0.13) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -171:sc= -2.79 (180deg=-3.3) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.134 -2.619 -17.492 1.00 0.00 N ATOM 47 CA ILE A 4 8.125 -3.592 -17.051 1.00 0.00 C ATOM 48 C ILE A 4 6.747 -2.923 -16.965 1.00 0.00 C ATOM 49 O ILE A 4 5.716 -3.581 -17.107 1.00 0.00 O ATOM 50 CB ILE A 4 8.481 -4.216 -15.684 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.209 -3.216 -14.541 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.953 -4.649 -15.669 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.300 -2.142 -14.480 1.00 0.00 C ATOM 0 HA ILE A 4 8.103 -4.393 -17.790 1.00 0.00 H new ATOM 0 HB ILE A 4 7.852 -5.093 -15.531 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.237 -2.745 -14.689 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.164 -3.748 -13.591 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.193 -5.088 -14.701 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.123 -5.386 -16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.589 -3.781 -15.842 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.084 -1.450 -13.666 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.267 -2.615 -14.308 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.326 -1.596 -15.423 1.00 0.00 H new ATOM 65 N TYR A 5 6.751 -1.602 -16.743 1.00 0.00 N ATOM 66 CA TYR A 5 5.510 -0.833 -16.655 1.00 0.00 C ATOM 67 C TYR A 5 4.841 -0.768 -18.027 1.00 0.00 C ATOM 68 O TYR A 5 3.615 -0.808 -18.139 1.00 0.00 O ATOM 69 CB TYR A 5 5.794 0.598 -16.175 1.00 0.00 C ATOM 70 CG TYR A 5 6.618 0.560 -14.908 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.096 -0.031 -13.753 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.904 1.112 -14.893 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.861 -0.071 -12.582 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.668 1.072 -13.722 1.00 0.00 C ATOM 75 CZ TYR A 5 8.147 0.481 -12.565 1.00 0.00 C ATOM 76 OH TYR A 5 8.902 0.441 -11.411 1.00 0.00 O ATOM 0 H TYR A 5 7.599 -1.048 -16.622 1.00 0.00 H new ATOM 0 HA TYR A 5 4.852 -1.329 -15.941 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.326 1.152 -16.949 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.856 1.123 -15.994 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.103 -0.456 -13.765 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.306 1.569 -15.785 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.459 -0.528 -11.690 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.661 1.497 -13.711 1.00 0.00 H new ATOM 0 HH TYR A 5 9.770 0.867 -11.573 1.00 0.00 H new ATOM 86 N LYS A 6 5.676 -0.679 -19.070 1.00 0.00 N ATOM 87 CA LYS A 6 5.182 -0.620 -20.450 1.00 0.00 C ATOM 88 C LYS A 6 4.633 -1.980 -20.861 1.00 0.00 C ATOM 89 O LYS A 6 3.579 -2.075 -21.492 1.00 0.00 O ATOM 90 CB LYS A 6 6.304 -0.221 -21.423 1.00 0.00 C ATOM 91 CG LYS A 6 7.119 0.951 -20.855 1.00 0.00 C ATOM 92 CD LYS A 6 6.173 2.015 -20.288 1.00 0.00 C ATOM 93 CE LYS A 6 6.973 3.023 -19.457 1.00 0.00 C ATOM 94 NZ LYS A 6 6.277 4.344 -19.462 1.00 0.00 N ATOM 0 H LYS A 6 6.692 -0.646 -18.985 1.00 0.00 H new ATOM 0 HA LYS A 6 4.394 0.132 -20.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.959 -1.074 -21.601 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.876 0.059 -22.386 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.790 0.594 -20.074 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.742 1.385 -21.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.656 2.527 -21.100 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.408 1.544 -19.670 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.081 2.662 -18.434 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.978 3.129 -19.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.822 5.026 -18.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.196 4.690 -20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.327 4.237 -19.053 1.00 0.00 H new ATOM 108 N ALA A 7 5.355 -3.033 -20.474 1.00 0.00 N ATOM 109 CA ALA A 7 4.932 -4.398 -20.780 1.00 0.00 C ATOM 110 C ALA A 7 3.638 -4.729 -20.033 1.00 0.00 C ATOM 111 O ALA A 7 2.804 -5.495 -20.520 1.00 0.00 O ATOM 112 CB ALA A 7 6.014 -5.403 -20.373 1.00 0.00 C ATOM 0 H ALA A 7 6.229 -2.967 -19.952 1.00 0.00 H new ATOM 0 HA ALA A 7 4.764 -4.467 -21.855 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.680 -6.413 -20.609 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.933 -5.188 -20.918 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.200 -5.323 -19.302 1.00 0.00 H new ATOM 118 N ALA A 8 3.480 -4.131 -18.844 1.00 0.00 N ATOM 119 CA ALA A 8 2.289 -4.350 -18.025 1.00 0.00 C ATOM 120 C ALA A 8 1.083 -3.598 -18.590 1.00 0.00 C ATOM 121 O ALA A 8 -0.050 -4.047 -18.440 1.00 0.00 O ATOM 122 CB ALA A 8 2.531 -3.875 -16.593 1.00 0.00 C ATOM 0 H ALA A 8 4.162 -3.494 -18.432 1.00 0.00 H new ATOM 0 HA ALA A 8 2.082 -5.420 -18.033 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.635 -4.045 -15.997 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.364 -4.430 -16.162 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.767 -2.811 -16.598 1.00 0.00 H new ATOM 128 N VAL A 9 1.339 -2.446 -19.228 1.00 0.00 N ATOM 129 CA VAL A 9 0.266 -1.626 -19.806 1.00 0.00 C ATOM 130 C VAL A 9 -0.683 -2.471 -20.668 1.00 0.00 C ATOM 131 O VAL A 9 -1.903 -2.399 -20.512 1.00 0.00 O ATOM 132 CB VAL A 9 0.872 -0.497 -20.656 1.00 0.00 C ATOM 133 CG1 VAL A 9 -0.169 0.059 -21.633 1.00 0.00 C ATOM 134 CG2 VAL A 9 1.352 0.631 -19.737 1.00 0.00 C ATOM 0 H VAL A 9 2.276 -2.063 -19.356 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.311 -1.200 -18.985 1.00 0.00 H new ATOM 0 HB VAL A 9 1.711 -0.900 -21.224 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.278 0.857 -22.226 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.509 -0.738 -22.295 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.018 0.454 -21.075 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.782 1.432 -20.338 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.509 1.019 -19.166 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.108 0.246 -19.052 1.00 0.00 H new ATOM 144 N GLU A 10 -0.107 -3.266 -21.574 1.00 0.00 N ATOM 145 CA GLU A 10 -0.908 -4.122 -22.461 1.00 0.00 C ATOM 146 C GLU A 10 -1.653 -5.207 -21.672 1.00 0.00 C ATOM 147 O GLU A 10 -2.641 -5.764 -22.155 1.00 0.00 O ATOM 148 CB GLU A 10 -0.015 -4.801 -23.506 1.00 0.00 C ATOM 149 CG GLU A 10 0.527 -3.754 -24.484 1.00 0.00 C ATOM 150 CD GLU A 10 2.021 -3.978 -24.697 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.790 -3.567 -23.842 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.376 -4.559 -25.709 1.00 0.00 O ATOM 0 H GLU A 10 0.901 -3.337 -21.714 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.636 -3.478 -22.955 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.811 -5.314 -23.014 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.583 -5.558 -24.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.001 -3.823 -25.435 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.351 -2.752 -24.094 1.00 0.00 H new ATOM 159 N GLN A 11 -1.170 -5.503 -20.458 1.00 0.00 N ATOM 160 CA GLN A 11 -1.796 -6.525 -19.617 1.00 0.00 C ATOM 161 C GLN A 11 -2.889 -5.920 -18.729 1.00 0.00 C ATOM 162 O GLN A 11 -3.832 -6.610 -18.335 1.00 0.00 O ATOM 163 CB GLN A 11 -0.753 -7.200 -18.717 1.00 0.00 C ATOM 164 CG GLN A 11 0.426 -7.694 -19.563 1.00 0.00 C ATOM 165 CD GLN A 11 1.335 -8.582 -18.713 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.567 -9.742 -19.051 1.00 0.00 O ATOM 167 NE2 GLN A 11 1.870 -8.104 -17.619 1.00 0.00 N ATOM 0 H GLN A 11 -0.355 -5.052 -20.041 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.241 -7.262 -20.285 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.401 -6.496 -17.963 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.206 -8.037 -18.185 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.059 -8.252 -20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.990 -6.845 -19.950 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.680 -7.143 -17.336 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.478 -8.693 -17.049 1.00 0.00 H new ATOM 176 N LEU A 12 -2.747 -4.628 -18.409 1.00 0.00 N ATOM 177 CA LEU A 12 -3.719 -3.939 -17.556 1.00 0.00 C ATOM 178 C LEU A 12 -5.106 -3.950 -18.195 1.00 0.00 C ATOM 179 O LEU A 12 -5.270 -3.609 -19.369 1.00 0.00 O ATOM 180 CB LEU A 12 -3.298 -2.485 -17.308 1.00 0.00 C ATOM 181 CG LEU A 12 -1.852 -2.281 -16.832 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.703 -0.888 -16.217 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.494 -3.342 -15.784 1.00 0.00 C ATOM 0 H LEU A 12 -1.974 -4.043 -18.726 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.753 -4.472 -16.606 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.440 -1.923 -18.231 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.969 -2.053 -16.566 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.180 -2.375 -17.685 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.676 -0.747 -15.880 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.947 -0.133 -16.964 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.380 -0.791 -15.368 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.467 -3.192 -15.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.169 -3.254 -14.932 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.591 -4.335 -16.223 1.00 0.00 H new ATOM 195 N THR A 13 -6.100 -4.347 -17.399 1.00 0.00 N ATOM 196 CA THR A 13 -7.483 -4.408 -17.876 1.00 0.00 C ATOM 197 C THR A 13 -8.339 -3.364 -17.162 1.00 0.00 C ATOM 198 O THR A 13 -7.926 -2.776 -16.160 1.00 0.00 O ATOM 199 CB THR A 13 -8.088 -5.801 -17.637 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.455 -6.422 -16.523 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.890 -6.665 -18.882 1.00 0.00 C ATOM 0 H THR A 13 -5.975 -4.630 -16.427 1.00 0.00 H new ATOM 0 HA THR A 13 -7.472 -4.204 -18.947 1.00 0.00 H new ATOM 0 HB THR A 13 -9.153 -5.696 -17.430 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.847 -7.308 -16.376 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.319 -7.652 -18.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.385 -6.196 -19.733 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.825 -6.764 -19.091 1.00 0.00 H new ATOM 209 N ASP A 14 -9.547 -3.153 -17.689 1.00 0.00 N ATOM 210 CA ASP A 14 -10.478 -2.189 -17.099 1.00 0.00 C ATOM 211 C ASP A 14 -10.959 -2.684 -15.737 1.00 0.00 C ATOM 212 O ASP A 14 -11.233 -1.889 -14.837 1.00 0.00 O ATOM 213 CB ASP A 14 -11.694 -1.985 -18.008 1.00 0.00 C ATOM 214 CG ASP A 14 -11.280 -1.210 -19.256 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.283 0.009 -19.201 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.966 -1.848 -20.248 1.00 0.00 O ATOM 0 H ASP A 14 -9.901 -3.632 -18.517 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.951 -1.242 -16.983 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.115 -2.950 -18.291 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.473 -1.442 -17.473 1.00 0.00 H new ATOM 221 N GLU A 15 -11.053 -4.012 -15.600 1.00 0.00 N ATOM 222 CA GLU A 15 -11.496 -4.629 -14.350 1.00 0.00 C ATOM 223 C GLU A 15 -10.506 -4.341 -13.215 1.00 0.00 C ATOM 224 O GLU A 15 -10.907 -4.062 -12.083 1.00 0.00 O ATOM 225 CB GLU A 15 -11.645 -6.144 -14.535 1.00 0.00 C ATOM 226 CG GLU A 15 -10.274 -6.797 -14.757 1.00 0.00 C ATOM 227 CD GLU A 15 -10.449 -8.133 -15.474 1.00 0.00 C ATOM 228 OE1 GLU A 15 -10.678 -9.120 -14.796 1.00 0.00 O ATOM 229 OE2 GLU A 15 -10.350 -8.148 -16.689 1.00 0.00 O ATOM 0 H GLU A 15 -10.828 -4.677 -16.340 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.462 -4.200 -14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.123 -6.578 -13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.294 -6.350 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.638 -6.137 -15.347 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.774 -6.950 -13.800 1.00 0.00 H new ATOM 236 N GLN A 16 -9.212 -4.408 -13.539 1.00 0.00 N ATOM 237 CA GLN A 16 -8.159 -4.148 -12.551 1.00 0.00 C ATOM 238 C GLN A 16 -8.187 -2.685 -12.120 1.00 0.00 C ATOM 239 O GLN A 16 -8.165 -2.380 -10.927 1.00 0.00 O ATOM 240 CB GLN A 16 -6.779 -4.471 -13.132 1.00 0.00 C ATOM 241 CG GLN A 16 -6.584 -5.988 -13.189 1.00 0.00 C ATOM 242 CD GLN A 16 -5.300 -6.314 -13.950 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.050 -5.769 -15.025 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.462 -7.185 -13.452 1.00 0.00 N ATOM 0 H GLN A 16 -8.869 -4.638 -14.471 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.344 -4.788 -11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.686 -4.045 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.000 -4.018 -12.518 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.533 -6.396 -12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.438 -6.456 -13.679 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.667 -7.638 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.603 -7.411 -13.954 1.00 0.00 H new ATOM 253 N LYS A 17 -8.241 -1.785 -13.107 1.00 0.00 N ATOM 254 CA LYS A 17 -8.282 -0.351 -12.820 1.00 0.00 C ATOM 255 C LYS A 17 -9.597 0.038 -12.139 1.00 0.00 C ATOM 256 O LYS A 17 -9.662 1.052 -11.450 1.00 0.00 O ATOM 257 CB LYS A 17 -8.119 0.468 -14.102 1.00 0.00 C ATOM 258 CG LYS A 17 -6.643 0.832 -14.284 1.00 0.00 C ATOM 259 CD LYS A 17 -6.018 -0.084 -15.337 1.00 0.00 C ATOM 260 CE LYS A 17 -4.792 0.600 -15.948 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.870 0.535 -17.436 1.00 0.00 N ATOM 0 H LYS A 17 -8.257 -2.021 -14.099 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.454 -0.133 -12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.473 -0.103 -14.960 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.725 1.373 -14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.550 1.874 -14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.113 0.730 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.730 -1.033 -14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.747 -0.311 -16.115 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.743 1.639 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.881 0.113 -15.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.984 0.893 -17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.016 -0.451 -17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.665 1.118 -17.768 1.00 0.00 H new ATOM 275 N ASN A 18 -10.643 -0.780 -12.325 1.00 0.00 N ATOM 276 CA ASN A 18 -11.938 -0.502 -11.701 1.00 0.00 C ATOM 277 C ASN A 18 -11.826 -0.650 -10.184 1.00 0.00 C ATOM 278 O ASN A 18 -12.269 0.217 -9.429 1.00 0.00 O ATOM 279 CB ASN A 18 -13.014 -1.463 -12.220 1.00 0.00 C ATOM 280 CG ASN A 18 -14.254 -0.672 -12.629 1.00 0.00 C ATOM 281 OD1 ASN A 18 -15.247 -0.647 -11.903 1.00 0.00 O ATOM 282 ND2 ASN A 18 -14.255 -0.015 -13.758 1.00 0.00 N ATOM 0 H ASN A 18 -10.617 -1.626 -12.894 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.224 0.519 -11.956 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.632 -2.026 -13.072 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.271 -2.188 -11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.079 0.518 -14.037 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.432 -0.035 -14.361 1.00 0.00 H new ATOM 289 N GLU A 19 -11.209 -1.755 -9.752 1.00 0.00 N ATOM 290 CA GLU A 19 -11.016 -2.009 -8.322 1.00 0.00 C ATOM 291 C GLU A 19 -9.982 -1.037 -7.764 1.00 0.00 C ATOM 292 O GLU A 19 -10.155 -0.479 -6.681 1.00 0.00 O ATOM 293 CB GLU A 19 -10.525 -3.441 -8.080 1.00 0.00 C ATOM 294 CG GLU A 19 -11.544 -4.441 -8.633 1.00 0.00 C ATOM 295 CD GLU A 19 -12.600 -4.737 -7.572 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.361 -5.612 -6.754 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.631 -4.086 -7.592 1.00 0.00 O ATOM 0 H GLU A 19 -10.838 -2.481 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.975 -1.873 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.558 -3.590 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.379 -3.609 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.017 -4.036 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.041 -5.362 -8.927 1.00 0.00 H new ATOM 304 N PHE A 20 -8.902 -0.850 -8.528 1.00 0.00 N ATOM 305 CA PHE A 20 -7.820 0.054 -8.129 1.00 0.00 C ATOM 306 C PHE A 20 -8.322 1.497 -8.017 1.00 0.00 C ATOM 307 O PHE A 20 -7.981 2.204 -7.070 1.00 0.00 O ATOM 308 CB PHE A 20 -6.675 -0.002 -9.150 1.00 0.00 C ATOM 309 CG PHE A 20 -5.720 -1.131 -8.814 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.149 -2.227 -8.049 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.400 -1.075 -9.273 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.256 -3.259 -7.745 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.508 -2.108 -8.966 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.936 -3.201 -8.203 1.00 0.00 C ATOM 0 H PHE A 20 -8.754 -1.312 -9.425 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.459 -0.272 -7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.080 -0.146 -10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.138 0.947 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.168 -2.273 -7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.069 -0.234 -9.865 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.586 -4.102 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.488 -2.062 -9.318 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.247 -3.999 -7.968 1.00 0.00 H new ATOM 324 N LYS A 21 -9.130 1.923 -8.994 1.00 0.00 N ATOM 325 CA LYS A 21 -9.675 3.285 -9.005 1.00 0.00 C ATOM 326 C LYS A 21 -10.577 3.521 -7.796 1.00 0.00 C ATOM 327 O LYS A 21 -10.458 4.539 -7.116 1.00 0.00 O ATOM 328 CB LYS A 21 -10.477 3.538 -10.292 1.00 0.00 C ATOM 329 CG LYS A 21 -11.036 4.967 -10.296 1.00 0.00 C ATOM 330 CD LYS A 21 -9.891 5.974 -10.147 1.00 0.00 C ATOM 331 CE LYS A 21 -10.290 7.310 -10.783 1.00 0.00 C ATOM 332 NZ LYS A 21 -11.327 7.982 -9.943 1.00 0.00 N ATOM 0 H LYS A 21 -9.420 1.347 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.834 3.977 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.839 3.387 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.294 2.820 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.577 5.153 -11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.749 5.090 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.656 6.118 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.990 5.588 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.415 7.953 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.676 7.143 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.594 8.888 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.166 7.371 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.944 8.156 -8.992 1.00 0.00 H new ATOM 346 N ALA A 22 -11.481 2.574 -7.538 1.00 0.00 N ATOM 347 CA ALA A 22 -12.399 2.697 -6.403 1.00 0.00 C ATOM 348 C ALA A 22 -11.635 2.614 -5.082 1.00 0.00 C ATOM 349 O ALA A 22 -11.882 3.395 -4.165 1.00 0.00 O ATOM 350 CB ALA A 22 -13.456 1.593 -6.442 1.00 0.00 C ATOM 0 H ALA A 22 -11.597 1.725 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.890 3.667 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.128 1.702 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.027 1.669 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.967 0.620 -6.396 1.00 0.00 H new ATOM 356 N ALA A 23 -10.696 1.666 -5.003 1.00 0.00 N ATOM 357 CA ALA A 23 -9.886 1.491 -3.792 1.00 0.00 C ATOM 358 C ALA A 23 -8.991 2.708 -3.549 1.00 0.00 C ATOM 359 O ALA A 23 -8.592 2.979 -2.416 1.00 0.00 O ATOM 360 CB ALA A 23 -9.006 0.245 -3.912 1.00 0.00 C ATOM 0 H ALA A 23 -10.479 1.013 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.572 1.378 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.412 0.130 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.636 -0.634 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.342 0.350 -4.770 1.00 0.00 H new ATOM 366 N PHE A 24 -8.683 3.439 -4.625 1.00 0.00 N ATOM 367 CA PHE A 24 -7.843 4.626 -4.518 1.00 0.00 C ATOM 368 C PHE A 24 -8.698 5.854 -4.207 1.00 0.00 C ATOM 369 O PHE A 24 -8.430 6.580 -3.253 1.00 0.00 O ATOM 370 CB PHE A 24 -7.086 4.863 -5.833 1.00 0.00 C ATOM 371 CG PHE A 24 -5.824 5.651 -5.566 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.690 5.005 -5.058 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.786 7.026 -5.829 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.522 5.734 -4.811 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.617 7.754 -5.583 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.487 7.108 -5.072 1.00 0.00 C ATOM 0 H PHE A 24 -9.002 3.228 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.128 4.466 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.838 3.908 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.721 5.403 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.717 3.944 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.660 7.525 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.647 5.236 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.587 8.814 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.586 7.671 -4.878 1.00 0.00 H new ATOM 386 N ASP A 25 -9.727 6.075 -5.033 1.00 0.00 N ATOM 387 CA ASP A 25 -10.620 7.228 -4.868 1.00 0.00 C ATOM 388 C ASP A 25 -11.214 7.314 -3.459 1.00 0.00 C ATOM 389 O ASP A 25 -11.332 8.407 -2.903 1.00 0.00 O ATOM 390 CB ASP A 25 -11.763 7.167 -5.887 1.00 0.00 C ATOM 391 CG ASP A 25 -12.392 8.550 -6.037 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.891 9.323 -6.836 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.366 8.814 -5.350 1.00 0.00 O ATOM 0 H ASP A 25 -9.962 5.472 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.012 8.118 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.387 6.821 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.515 6.448 -5.562 1.00 0.00 H new ATOM 398 N ILE A 26 -11.592 6.164 -2.884 1.00 0.00 N ATOM 399 CA ILE A 26 -12.174 6.153 -1.533 1.00 0.00 C ATOM 400 C ILE A 26 -11.244 6.858 -0.540 1.00 0.00 C ATOM 401 O ILE A 26 -11.701 7.576 0.353 1.00 0.00 O ATOM 402 CB ILE A 26 -12.442 4.721 -1.050 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.168 3.875 -1.185 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.566 4.105 -1.891 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.435 2.451 -0.695 1.00 0.00 C ATOM 0 H ILE A 26 -11.508 5.246 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.123 6.687 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.741 4.743 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.842 3.856 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.360 4.323 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.759 3.088 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.471 4.702 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.268 4.087 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.527 1.856 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.740 2.477 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.229 2.003 -1.293 1.00 0.00 H new ATOM 417 N PHE A 27 -9.936 6.657 -0.718 1.00 0.00 N ATOM 418 CA PHE A 27 -8.943 7.286 0.153 1.00 0.00 C ATOM 419 C PHE A 27 -8.614 8.703 -0.333 1.00 0.00 C ATOM 420 O PHE A 27 -8.293 9.582 0.469 1.00 0.00 O ATOM 421 CB PHE A 27 -7.653 6.459 0.187 1.00 0.00 C ATOM 422 CG PHE A 27 -7.812 5.310 1.158 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.545 5.499 2.519 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.229 4.057 0.694 1.00 0.00 C ATOM 425 CE1 PHE A 27 -7.695 4.435 3.417 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.379 2.993 1.591 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.112 3.182 2.952 1.00 0.00 C ATOM 0 H PHE A 27 -9.543 6.068 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.368 7.337 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.427 6.078 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.814 7.087 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.223 6.466 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.435 3.911 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.489 4.581 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.701 2.026 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.228 2.361 3.644 1.00 0.00 H new ATOM 437 N ILE A 28 -8.695 8.917 -1.656 1.00 0.00 N ATOM 438 CA ILE A 28 -8.402 10.234 -2.240 1.00 0.00 C ATOM 439 C ILE A 28 -9.685 11.064 -2.385 1.00 0.00 C ATOM 440 O ILE A 28 -9.857 11.809 -3.354 1.00 0.00 O ATOM 441 CB ILE A 28 -7.738 10.086 -3.625 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.668 8.989 -3.604 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.073 11.402 -4.036 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.881 9.023 -2.288 1.00 0.00 C ATOM 0 H ILE A 28 -8.958 8.203 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.716 10.746 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.518 9.820 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.138 8.013 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.987 9.123 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.608 11.285 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.824 12.190 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.312 11.670 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.127 8.236 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.393 9.992 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.563 8.865 -1.452 1.00 0.00 H new ATOM 456 N GLN A 29 -10.580 10.941 -1.399 1.00 0.00 N ATOM 457 CA GLN A 29 -11.837 11.696 -1.419 1.00 0.00 C ATOM 458 C GLN A 29 -11.570 13.183 -1.161 1.00 0.00 C ATOM 459 O GLN A 29 -12.295 14.049 -1.654 1.00 0.00 O ATOM 460 CB GLN A 29 -12.821 11.163 -0.366 1.00 0.00 C ATOM 461 CG GLN A 29 -12.139 11.078 1.007 1.00 0.00 C ATOM 462 CD GLN A 29 -13.128 11.487 2.094 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.141 12.639 2.528 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.965 10.603 2.566 1.00 0.00 N ATOM 0 H GLN A 29 -10.460 10.335 -0.588 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.282 11.572 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.691 11.817 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.182 10.178 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.785 10.063 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.265 11.730 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.955 9.648 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.629 10.867 3.294 1.00 0.00 H new ATOM 473 N ASP A 30 -10.513 13.463 -0.390 1.00 0.00 N ATOM 474 CA ASP A 30 -10.141 14.841 -0.074 1.00 0.00 C ATOM 475 C ASP A 30 -8.666 14.909 0.346 1.00 0.00 C ATOM 476 O ASP A 30 -8.311 15.581 1.319 1.00 0.00 O ATOM 477 CB ASP A 30 -11.027 15.388 1.052 1.00 0.00 C ATOM 478 CG ASP A 30 -11.262 16.881 0.837 1.00 0.00 C ATOM 479 OD1 ASP A 30 -12.152 17.218 0.071 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.550 17.667 1.441 1.00 0.00 O ATOM 0 H ASP A 30 -9.905 12.756 0.023 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.286 15.451 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.979 14.858 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.551 15.220 2.018 1.00 0.00 H new ATOM 485 N ALA A 31 -7.809 14.204 -0.406 1.00 0.00 N ATOM 486 CA ALA A 31 -6.375 14.186 -0.113 1.00 0.00 C ATOM 487 C ALA A 31 -5.746 15.544 -0.423 1.00 0.00 C ATOM 488 O ALA A 31 -6.274 16.322 -1.222 1.00 0.00 O ATOM 489 CB ALA A 31 -5.672 13.111 -0.945 1.00 0.00 C ATOM 0 H ALA A 31 -8.083 13.645 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.253 13.964 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.607 13.111 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.094 12.134 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.814 13.321 -2.005 1.00 0.00 H new ATOM 495 N GLU A 32 -4.611 15.814 0.219 1.00 0.00 N ATOM 496 CA GLU A 32 -3.903 17.082 0.012 1.00 0.00 C ATOM 497 C GLU A 32 -3.335 17.153 -1.403 1.00 0.00 C ATOM 498 O GLU A 32 -3.577 18.116 -2.134 1.00 0.00 O ATOM 499 CB GLU A 32 -2.758 17.238 1.019 1.00 0.00 C ATOM 500 CG GLU A 32 -3.325 17.296 2.441 1.00 0.00 C ATOM 501 CD GLU A 32 -2.206 17.627 3.425 1.00 0.00 C ATOM 502 OE1 GLU A 32 -1.523 16.708 3.847 1.00 0.00 O ATOM 503 OE2 GLU A 32 -2.050 18.795 3.743 1.00 0.00 O ATOM 0 H GLU A 32 -4.163 15.181 0.881 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.621 17.889 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.064 16.402 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.194 18.146 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.110 18.050 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.781 16.341 2.701 1.00 0.00 H new ATOM 510 N ASP A 33 -2.582 16.119 -1.779 1.00 0.00 N ATOM 511 CA ASP A 33 -1.979 16.059 -3.111 1.00 0.00 C ATOM 512 C ASP A 33 -2.737 15.075 -4.009 1.00 0.00 C ATOM 513 O ASP A 33 -2.856 15.290 -5.216 1.00 0.00 O ATOM 514 CB ASP A 33 -0.513 15.623 -3.015 1.00 0.00 C ATOM 515 CG ASP A 33 0.340 16.802 -2.557 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.414 17.028 -1.359 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.907 17.465 -3.411 1.00 0.00 O ATOM 0 H ASP A 33 -2.376 15.316 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.035 17.056 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.414 14.795 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.165 15.264 -3.984 1.00 0.00 H new ATOM 522 N GLY A 34 -3.247 13.994 -3.404 1.00 0.00 N ATOM 523 CA GLY A 34 -3.993 12.980 -4.153 1.00 0.00 C ATOM 524 C GLY A 34 -3.303 11.621 -4.053 1.00 0.00 C ATOM 525 O GLY A 34 -2.955 11.011 -5.066 1.00 0.00 O ATOM 0 H GLY A 34 -3.157 13.802 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.009 12.907 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.072 13.278 -5.199 1.00 0.00 H new ATOM 529 N CYS A 35 -3.107 11.159 -2.815 1.00 0.00 N ATOM 530 CA CYS A 35 -2.451 9.870 -2.577 1.00 0.00 C ATOM 531 C CYS A 35 -2.857 9.299 -1.220 1.00 0.00 C ATOM 532 O CYS A 35 -3.428 9.995 -0.377 1.00 0.00 O ATOM 533 CB CYS A 35 -0.923 10.010 -2.612 1.00 0.00 C ATOM 534 SG CYS A 35 -0.442 11.721 -2.255 1.00 0.00 S ATOM 0 H CYS A 35 -3.390 11.653 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.770 9.196 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.472 9.338 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.546 9.715 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 35 0.223 12.204 -3.262 1.00 0.00 H new ATOM 540 N ILE A 36 -2.545 8.018 -1.025 1.00 0.00 N ATOM 541 CA ILE A 36 -2.867 7.337 0.232 1.00 0.00 C ATOM 542 C ILE A 36 -1.617 7.219 1.106 1.00 0.00 C ATOM 543 O ILE A 36 -0.536 7.665 0.724 1.00 0.00 O ATOM 544 CB ILE A 36 -3.436 5.935 -0.044 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.420 5.105 -0.840 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.731 6.057 -0.852 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.858 3.989 0.044 1.00 0.00 C ATOM 0 H ILE A 36 -2.073 7.433 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.618 7.927 0.757 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.640 5.441 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.897 4.678 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.611 5.744 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.133 5.063 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.459 6.639 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.524 6.557 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.137 3.402 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.365 4.426 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.671 3.343 0.375 1.00 0.00 H new ATOM 559 N SER A 37 -1.772 6.609 2.281 1.00 0.00 N ATOM 560 CA SER A 37 -0.644 6.433 3.193 1.00 0.00 C ATOM 561 C SER A 37 0.003 5.070 2.970 1.00 0.00 C ATOM 562 O SER A 37 -0.686 4.063 2.795 1.00 0.00 O ATOM 563 CB SER A 37 -1.100 6.539 4.651 1.00 0.00 C ATOM 564 OG SER A 37 0.017 6.865 5.469 1.00 0.00 O ATOM 0 H SER A 37 -2.657 6.233 2.620 1.00 0.00 H new ATOM 0 HA SER A 37 0.080 7.222 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.872 7.302 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.541 5.597 4.976 1.00 0.00 H new ATOM 0 HG SER A 37 -0.076 7.783 5.798 1.00 0.00 H new ATOM 570 N THR A 38 1.337 5.049 2.984 1.00 0.00 N ATOM 571 CA THR A 38 2.080 3.797 2.788 1.00 0.00 C ATOM 572 C THR A 38 1.663 2.755 3.829 1.00 0.00 C ATOM 573 O THR A 38 1.500 1.576 3.507 1.00 0.00 O ATOM 574 CB THR A 38 3.591 4.036 2.893 1.00 0.00 C ATOM 575 OG1 THR A 38 3.870 4.858 4.018 1.00 0.00 O ATOM 576 CG2 THR A 38 4.086 4.725 1.621 1.00 0.00 C ATOM 0 H THR A 38 1.922 5.872 3.127 1.00 0.00 H new ATOM 0 HA THR A 38 1.846 3.426 1.790 1.00 0.00 H new ATOM 0 HB THR A 38 4.101 3.080 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.852 5.800 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.160 4.896 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.877 4.091 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.574 5.680 1.502 1.00 0.00 H new ATOM 584 N LYS A 39 1.477 3.208 5.075 1.00 0.00 N ATOM 585 CA LYS A 39 1.061 2.314 6.160 1.00 0.00 C ATOM 586 C LYS A 39 -0.372 1.802 5.935 1.00 0.00 C ATOM 587 O LYS A 39 -0.747 0.743 6.443 1.00 0.00 O ATOM 588 CB LYS A 39 1.142 3.037 7.512 1.00 0.00 C ATOM 589 CG LYS A 39 0.118 4.180 7.568 1.00 0.00 C ATOM 590 CD LYS A 39 0.725 5.378 8.304 1.00 0.00 C ATOM 591 CE LYS A 39 -0.384 6.370 8.671 1.00 0.00 C ATOM 592 NZ LYS A 39 0.152 7.394 9.613 1.00 0.00 N ATOM 0 H LYS A 39 1.607 4.180 5.354 1.00 0.00 H new ATOM 0 HA LYS A 39 1.740 1.461 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.954 2.331 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.147 3.432 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.174 4.470 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.786 3.847 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.239 5.042 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.470 5.865 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.766 6.853 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.221 5.842 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.602 8.066 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.496 6.926 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.936 7.905 9.160 1.00 0.00 H new ATOM 606 N GLU A 40 -1.161 2.561 5.161 1.00 0.00 N ATOM 607 CA GLU A 40 -2.545 2.174 4.866 1.00 0.00 C ATOM 608 C GLU A 40 -2.613 1.112 3.755 1.00 0.00 C ATOM 609 O GLU A 40 -3.697 0.626 3.429 1.00 0.00 O ATOM 610 CB GLU A 40 -3.364 3.399 4.436 1.00 0.00 C ATOM 611 CG GLU A 40 -4.342 3.785 5.552 1.00 0.00 C ATOM 612 CD GLU A 40 -3.588 4.500 6.673 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.470 5.711 6.603 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.142 3.822 7.585 1.00 0.00 O ATOM 0 H GLU A 40 -0.867 3.438 4.732 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.962 1.750 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.699 4.234 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.912 3.179 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.124 4.433 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.834 2.894 5.942 1.00 0.00 H new ATOM 621 N LEU A 41 -1.454 0.751 3.180 1.00 0.00 N ATOM 622 CA LEU A 41 -1.413 -0.260 2.117 1.00 0.00 C ATOM 623 C LEU A 41 -2.040 -1.578 2.588 1.00 0.00 C ATOM 624 O LEU A 41 -2.812 -2.201 1.863 1.00 0.00 O ATOM 625 CB LEU A 41 0.030 -0.520 1.671 1.00 0.00 C ATOM 626 CG LEU A 41 0.207 -1.625 0.621 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.816 -1.439 -0.504 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.622 -1.555 0.040 1.00 0.00 C ATOM 0 H LEU A 41 -0.545 1.140 3.431 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.987 0.127 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.441 0.407 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.622 -0.778 2.549 1.00 0.00 H new ATOM 0 HG LEU A 41 0.053 -2.596 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.687 -2.226 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.824 -1.491 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.667 -0.467 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.748 -2.340 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.776 -0.582 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.351 -1.693 0.839 1.00 0.00 H new ATOM 640 N GLY A 42 -1.710 -1.992 3.814 1.00 0.00 N ATOM 641 CA GLY A 42 -2.264 -3.233 4.366 1.00 0.00 C ATOM 642 C GLY A 42 -3.789 -3.145 4.526 1.00 0.00 C ATOM 643 O GLY A 42 -4.472 -4.165 4.620 1.00 0.00 O ATOM 0 H GLY A 42 -1.072 -1.496 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.013 -4.068 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.807 -3.438 5.334 1.00 0.00 H new ATOM 647 N LYS A 43 -4.308 -1.911 4.560 1.00 0.00 N ATOM 648 CA LYS A 43 -5.744 -1.684 4.714 1.00 0.00 C ATOM 649 C LYS A 43 -6.468 -1.739 3.363 1.00 0.00 C ATOM 650 O LYS A 43 -7.600 -2.222 3.280 1.00 0.00 O ATOM 651 CB LYS A 43 -5.988 -0.313 5.352 1.00 0.00 C ATOM 652 CG LYS A 43 -7.398 -0.258 5.939 1.00 0.00 C ATOM 653 CD LYS A 43 -7.390 -0.830 7.362 1.00 0.00 C ATOM 654 CE LYS A 43 -8.237 -2.105 7.408 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.617 -1.774 7.868 1.00 0.00 N ATOM 0 H LYS A 43 -3.753 -1.058 4.483 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.138 -2.474 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.251 -0.130 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.864 0.472 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.756 0.771 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.085 -0.826 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.368 -1.049 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.784 -0.094 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.273 -2.565 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.783 -2.831 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.190 -2.641 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.575 -1.353 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.050 -1.096 7.208 1.00 0.00 H new ATOM 669 N VAL A 44 -5.814 -1.237 2.308 1.00 0.00 N ATOM 670 CA VAL A 44 -6.424 -1.238 0.973 1.00 0.00 C ATOM 671 C VAL A 44 -6.494 -2.659 0.408 1.00 0.00 C ATOM 672 O VAL A 44 -7.420 -2.989 -0.333 1.00 0.00 O ATOM 673 CB VAL A 44 -5.658 -0.330 -0.003 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.800 1.130 0.436 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.175 -0.703 -0.028 1.00 0.00 C ATOM 0 H VAL A 44 -4.879 -0.832 2.350 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.435 -0.846 1.083 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.076 -0.461 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.257 1.773 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.854 1.408 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.391 1.250 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.647 -0.051 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.753 -0.585 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.066 -1.739 -0.348 1.00 0.00 H new ATOM 685 N MET A 45 -5.516 -3.500 0.775 1.00 0.00 N ATOM 686 CA MET A 45 -5.496 -4.890 0.308 1.00 0.00 C ATOM 687 C MET A 45 -6.742 -5.631 0.793 1.00 0.00 C ATOM 688 O MET A 45 -7.273 -6.495 0.095 1.00 0.00 O ATOM 689 CB MET A 45 -4.251 -5.637 0.817 1.00 0.00 C ATOM 690 CG MET A 45 -2.981 -4.840 0.494 1.00 0.00 C ATOM 691 SD MET A 45 -2.257 -5.454 -1.046 1.00 0.00 S ATOM 692 CE MET A 45 -3.568 -4.862 -2.141 1.00 0.00 C ATOM 0 H MET A 45 -4.740 -3.245 1.385 1.00 0.00 H new ATOM 0 HA MET A 45 -5.474 -4.865 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.327 -5.792 1.893 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.197 -6.623 0.356 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.218 -3.780 0.399 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.263 -4.934 1.309 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.149 -4.636 -3.121 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.333 -5.632 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.014 -3.961 -1.720 1.00 0.00 H new ATOM 702 N ARG A 46 -7.208 -5.269 1.993 1.00 0.00 N ATOM 703 CA ARG A 46 -8.404 -5.893 2.569 1.00 0.00 C ATOM 704 C ARG A 46 -9.645 -5.544 1.741 1.00 0.00 C ATOM 705 O ARG A 46 -10.529 -6.380 1.549 1.00 0.00 O ATOM 706 CB ARG A 46 -8.617 -5.419 4.010 1.00 0.00 C ATOM 707 CG ARG A 46 -7.899 -6.367 4.974 1.00 0.00 C ATOM 708 CD ARG A 46 -8.045 -5.852 6.411 1.00 0.00 C ATOM 709 NE ARG A 46 -9.459 -5.752 6.791 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.178 -6.830 7.141 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.636 -8.025 7.165 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.439 -6.686 7.465 1.00 0.00 N ATOM 0 H ARG A 46 -6.780 -4.553 2.580 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.254 -6.973 2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.236 -4.405 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.682 -5.389 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.318 -7.370 4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.844 -6.440 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.527 -6.523 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.570 -4.875 6.501 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.909 -4.836 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.654 -8.145 6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.196 -8.834 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.867 -5.760 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.993 -7.500 7.732 1.00 0.00 H new ATOM 726 N MET A 47 -9.694 -4.300 1.250 1.00 0.00 N ATOM 727 CA MET A 47 -10.827 -3.844 0.439 1.00 0.00 C ATOM 728 C MET A 47 -10.723 -4.381 -0.991 1.00 0.00 C ATOM 729 O MET A 47 -11.730 -4.749 -1.600 1.00 0.00 O ATOM 730 CB MET A 47 -10.874 -2.312 0.396 1.00 0.00 C ATOM 731 CG MET A 47 -11.783 -1.796 1.515 1.00 0.00 C ATOM 732 SD MET A 47 -13.501 -1.784 0.941 1.00 0.00 S ATOM 733 CE MET A 47 -14.271 -1.397 2.532 1.00 0.00 C ATOM 0 H MET A 47 -8.969 -3.598 1.399 1.00 0.00 H new ATOM 0 HA MET A 47 -11.739 -4.224 0.899 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.870 -1.904 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.245 -1.976 -0.572 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.688 -2.430 2.397 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.480 -0.791 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.353 -1.340 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.028 -2.178 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.897 -0.440 2.894 1.00 0.00 H new ATOM 743 N LEU A 48 -9.493 -4.425 -1.516 1.00 0.00 N ATOM 744 CA LEU A 48 -9.253 -4.922 -2.874 1.00 0.00 C ATOM 745 C LEU A 48 -9.639 -6.399 -2.989 1.00 0.00 C ATOM 746 O LEU A 48 -10.221 -6.823 -3.990 1.00 0.00 O ATOM 747 CB LEU A 48 -7.771 -4.767 -3.248 1.00 0.00 C ATOM 748 CG LEU A 48 -7.494 -4.085 -4.594 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.266 -4.799 -5.706 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.936 -2.621 -4.525 1.00 0.00 C ATOM 0 H LEU A 48 -8.652 -4.124 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.868 -4.334 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.275 -4.196 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.313 -5.756 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.427 -4.135 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.066 -4.310 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.949 -5.841 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.334 -4.755 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.739 -2.136 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.003 -2.573 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.381 -2.110 -3.738 1.00 0.00 H new ATOM 762 N GLY A 49 -9.299 -7.173 -1.955 1.00 0.00 N ATOM 763 CA GLY A 49 -9.600 -8.604 -1.938 1.00 0.00 C ATOM 764 C GLY A 49 -8.313 -9.413 -1.793 1.00 0.00 C ATOM 765 O GLY A 49 -8.005 -10.269 -2.623 1.00 0.00 O ATOM 0 H GLY A 49 -8.817 -6.833 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.275 -8.831 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.113 -8.886 -2.857 1.00 0.00 H new ATOM 769 N GLN A 50 -7.563 -9.115 -0.727 1.00 0.00 N ATOM 770 CA GLN A 50 -6.296 -9.801 -0.466 1.00 0.00 C ATOM 771 C GLN A 50 -6.018 -9.857 1.037 1.00 0.00 C ATOM 772 O GLN A 50 -6.656 -9.160 1.828 1.00 0.00 O ATOM 773 CB GLN A 50 -5.141 -9.066 -1.156 1.00 0.00 C ATOM 774 CG GLN A 50 -4.872 -9.696 -2.525 1.00 0.00 C ATOM 775 CD GLN A 50 -3.427 -9.425 -2.933 1.00 0.00 C ATOM 776 OE1 GLN A 50 -3.162 -8.556 -3.764 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.464 -10.124 -2.393 1.00 0.00 N ATOM 0 H GLN A 50 -7.810 -8.407 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.374 -10.814 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.387 -8.011 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.244 -9.118 -0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.055 -10.770 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.555 -9.283 -3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.681 -10.844 -1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.495 -9.949 -2.660 1.00 0.00 H new ATOM 786 N ASN A 51 -5.051 -10.697 1.417 1.00 0.00 N ATOM 787 CA ASN A 51 -4.686 -10.842 2.825 1.00 0.00 C ATOM 788 C ASN A 51 -3.166 -10.986 2.972 1.00 0.00 C ATOM 789 O ASN A 51 -2.652 -12.082 3.216 1.00 0.00 O ATOM 790 CB ASN A 51 -5.381 -12.071 3.430 1.00 0.00 C ATOM 791 CG ASN A 51 -5.479 -11.923 4.949 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.595 -11.347 5.586 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.513 -12.420 5.575 1.00 0.00 N ATOM 0 H ASN A 51 -4.513 -11.280 0.776 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.011 -9.948 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.377 -12.183 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.824 -12.974 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.587 -12.331 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.246 -12.897 5.050 1.00 0.00 H new ATOM 800 N PRO A 52 -2.431 -9.875 2.827 1.00 0.00 N ATOM 801 CA PRO A 52 -0.962 -9.877 2.947 1.00 0.00 C ATOM 802 C PRO A 52 -0.488 -9.802 4.398 1.00 0.00 C ATOM 803 O PRO A 52 -1.274 -9.944 5.338 1.00 0.00 O ATOM 804 CB PRO A 52 -0.572 -8.604 2.201 1.00 0.00 C ATOM 805 CG PRO A 52 -1.784 -7.685 2.230 1.00 0.00 C ATOM 806 CD PRO A 52 -3.015 -8.549 2.533 1.00 0.00 C ATOM 0 HA PRO A 52 -0.517 -10.791 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.286 -8.127 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.284 -8.831 1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.661 -6.914 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.900 -7.175 1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.581 -8.161 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.698 -8.589 1.685 1.00 0.00 H new ATOM 814 N THR A 53 0.812 -9.567 4.555 1.00 0.00 N ATOM 815 CA THR A 53 1.423 -9.452 5.878 1.00 0.00 C ATOM 816 C THR A 53 1.985 -8.038 6.053 1.00 0.00 C ATOM 817 O THR A 53 2.010 -7.254 5.101 1.00 0.00 O ATOM 818 CB THR A 53 2.555 -10.490 6.044 1.00 0.00 C ATOM 819 OG1 THR A 53 3.779 -9.958 5.555 1.00 0.00 O ATOM 820 CG2 THR A 53 2.215 -11.763 5.267 1.00 0.00 C ATOM 0 H THR A 53 1.465 -9.452 3.780 1.00 0.00 H new ATOM 0 HA THR A 53 0.665 -9.644 6.638 1.00 0.00 H new ATOM 0 HB THR A 53 2.659 -10.726 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.492 -10.622 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.018 -12.489 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.284 -12.184 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.100 -11.524 4.210 1.00 0.00 H new ATOM 828 N PRO A 54 2.457 -7.696 7.257 1.00 0.00 N ATOM 829 CA PRO A 54 3.031 -6.360 7.514 1.00 0.00 C ATOM 830 C PRO A 54 4.402 -6.185 6.861 1.00 0.00 C ATOM 831 O PRO A 54 4.784 -5.074 6.489 1.00 0.00 O ATOM 832 CB PRO A 54 3.122 -6.326 9.034 1.00 0.00 C ATOM 833 CG PRO A 54 3.149 -7.771 9.508 1.00 0.00 C ATOM 834 CD PRO A 54 2.462 -8.606 8.425 1.00 0.00 C ATOM 0 HA PRO A 54 2.432 -5.551 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.020 -5.798 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.270 -5.796 9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.174 -8.108 9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.632 -7.874 10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.008 -9.526 8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.452 -8.894 8.717 1.00 0.00 H new ATOM 842 N GLU A 55 5.122 -7.300 6.705 1.00 0.00 N ATOM 843 CA GLU A 55 6.441 -7.275 6.069 1.00 0.00 C ATOM 844 C GLU A 55 6.282 -7.273 4.547 1.00 0.00 C ATOM 845 O GLU A 55 7.059 -6.640 3.830 1.00 0.00 O ATOM 846 CB GLU A 55 7.272 -8.496 6.481 1.00 0.00 C ATOM 847 CG GLU A 55 7.161 -8.710 7.993 1.00 0.00 C ATOM 848 CD GLU A 55 8.199 -9.733 8.448 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.316 -9.331 8.729 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.861 -10.905 8.508 1.00 0.00 O ATOM 0 H GLU A 55 4.816 -8.225 7.008 1.00 0.00 H new ATOM 0 HA GLU A 55 6.956 -6.371 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.921 -9.382 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.315 -8.349 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.314 -7.766 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.159 -9.056 8.248 1.00 0.00 H new ATOM 857 N GLU A 56 5.253 -7.988 4.069 1.00 0.00 N ATOM 858 CA GLU A 56 4.974 -8.068 2.633 1.00 0.00 C ATOM 859 C GLU A 56 4.641 -6.683 2.081 1.00 0.00 C ATOM 860 O GLU A 56 5.329 -6.183 1.189 1.00 0.00 O ATOM 861 CB GLU A 56 3.800 -9.015 2.362 1.00 0.00 C ATOM 862 CG GLU A 56 4.319 -10.444 2.178 1.00 0.00 C ATOM 863 CD GLU A 56 4.734 -10.657 0.724 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.881 -10.383 0.408 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.899 -11.092 -0.052 1.00 0.00 O ATOM 0 H GLU A 56 4.605 -8.515 4.654 1.00 0.00 H new ATOM 0 HA GLU A 56 5.865 -8.453 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.093 -8.979 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.262 -8.696 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.168 -10.621 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.546 -11.161 2.454 1.00 0.00 H new ATOM 872 N LEU A 57 3.583 -6.062 2.627 1.00 0.00 N ATOM 873 CA LEU A 57 3.183 -4.725 2.182 1.00 0.00 C ATOM 874 C LEU A 57 4.326 -3.720 2.376 1.00 0.00 C ATOM 875 O LEU A 57 4.444 -2.752 1.624 1.00 0.00 O ATOM 876 CB LEU A 57 1.947 -4.242 2.950 1.00 0.00 C ATOM 877 CG LEU A 57 2.161 -3.963 4.443 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.486 -2.480 4.652 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.886 -4.317 5.212 1.00 0.00 C ATOM 0 H LEU A 57 3.000 -6.459 3.364 1.00 0.00 H new ATOM 0 HA LEU A 57 2.942 -4.790 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.581 -3.331 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.162 -4.991 2.848 1.00 0.00 H new ATOM 0 HG LEU A 57 2.991 -4.568 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.637 -2.287 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.393 -2.226 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.659 -1.871 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.035 -4.120 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.058 -3.711 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.655 -5.373 5.068 1.00 0.00 H new ATOM 891 N GLN A 58 5.173 -3.968 3.389 1.00 0.00 N ATOM 892 CA GLN A 58 6.310 -3.085 3.666 1.00 0.00 C ATOM 893 C GLN A 58 7.237 -3.014 2.453 1.00 0.00 C ATOM 894 O GLN A 58 7.642 -1.930 2.029 1.00 0.00 O ATOM 895 CB GLN A 58 7.111 -3.584 4.875 1.00 0.00 C ATOM 896 CG GLN A 58 7.291 -2.445 5.883 1.00 0.00 C ATOM 897 CD GLN A 58 8.100 -1.314 5.247 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.330 -1.324 5.288 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.474 -0.333 4.655 1.00 0.00 N ATOM 0 H GLN A 58 5.091 -4.764 4.021 1.00 0.00 H new ATOM 0 HA GLN A 58 5.913 -2.094 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.594 -4.420 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.084 -3.953 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.318 -2.073 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.800 -2.812 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.455 -0.325 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.004 0.425 4.226 1.00 0.00 H new ATOM 908 N GLU A 59 7.561 -4.187 1.897 1.00 0.00 N ATOM 909 CA GLU A 59 8.436 -4.258 0.723 1.00 0.00 C ATOM 910 C GLU A 59 7.791 -3.562 -0.475 1.00 0.00 C ATOM 911 O GLU A 59 8.478 -2.937 -1.281 1.00 0.00 O ATOM 912 CB GLU A 59 8.724 -5.716 0.351 1.00 0.00 C ATOM 913 CG GLU A 59 9.789 -6.288 1.289 1.00 0.00 C ATOM 914 CD GLU A 59 10.434 -7.506 0.636 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.921 -8.598 0.827 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.430 -7.331 -0.048 1.00 0.00 O ATOM 0 H GLU A 59 7.234 -5.091 2.237 1.00 0.00 H new ATOM 0 HA GLU A 59 9.369 -3.755 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.810 -6.306 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.065 -5.777 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.545 -5.533 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.339 -6.567 2.242 1.00 0.00 H new ATOM 923 N MET A 60 6.460 -3.670 -0.575 1.00 0.00 N ATOM 924 CA MET A 60 5.726 -3.041 -1.674 1.00 0.00 C ATOM 925 C MET A 60 5.881 -1.523 -1.617 1.00 0.00 C ATOM 926 O MET A 60 6.125 -0.881 -2.634 1.00 0.00 O ATOM 927 CB MET A 60 4.236 -3.393 -1.605 1.00 0.00 C ATOM 928 CG MET A 60 4.029 -4.845 -2.039 1.00 0.00 C ATOM 929 SD MET A 60 2.269 -5.134 -2.350 1.00 0.00 S ATOM 930 CE MET A 60 2.332 -6.941 -2.342 1.00 0.00 C ATOM 0 H MET A 60 5.876 -4.182 0.086 1.00 0.00 H new ATOM 0 HA MET A 60 6.141 -3.417 -2.609 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.865 -3.250 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.664 -2.725 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.608 -5.053 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.389 -5.523 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.333 -7.341 -2.519 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.005 -7.285 -3.127 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.696 -7.288 -1.375 1.00 0.00 H new ATOM 940 N ILE A 61 5.735 -0.966 -0.411 1.00 0.00 N ATOM 941 CA ILE A 61 5.854 0.479 -0.210 1.00 0.00 C ATOM 942 C ILE A 61 7.182 1.014 -0.756 1.00 0.00 C ATOM 943 O ILE A 61 7.204 1.762 -1.730 1.00 0.00 O ATOM 944 CB ILE A 61 5.748 0.797 1.283 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.311 0.539 1.739 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.127 2.258 1.543 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.316 -0.005 3.165 1.00 0.00 C ATOM 0 H ILE A 61 5.535 -1.494 0.439 1.00 0.00 H new ATOM 0 HA ILE A 61 5.045 0.965 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 61 6.434 0.161 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.733 1.462 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.828 -0.173 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.047 2.470 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.151 2.432 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.452 2.913 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.291 -0.188 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.879 -0.938 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.782 0.722 3.830 1.00 0.00 H new ATOM 959 N ASP A 62 8.279 0.634 -0.100 1.00 0.00 N ATOM 960 CA ASP A 62 9.618 1.089 -0.503 1.00 0.00 C ATOM 961 C ASP A 62 9.895 0.828 -1.992 1.00 0.00 C ATOM 962 O ASP A 62 10.587 1.611 -2.644 1.00 0.00 O ATOM 963 CB ASP A 62 10.690 0.380 0.333 1.00 0.00 C ATOM 964 CG ASP A 62 11.908 1.287 0.489 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.791 1.210 -0.352 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.940 2.042 1.448 1.00 0.00 O ATOM 0 H ASP A 62 8.271 0.015 0.710 1.00 0.00 H new ATOM 0 HA ASP A 62 9.654 2.165 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.289 0.123 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.980 -0.554 -0.148 1.00 0.00 H new ATOM 971 N GLU A 63 9.368 -0.286 -2.514 1.00 0.00 N ATOM 972 CA GLU A 63 9.588 -0.646 -3.922 1.00 0.00 C ATOM 973 C GLU A 63 8.771 0.224 -4.886 1.00 0.00 C ATOM 974 O GLU A 63 9.267 0.612 -5.945 1.00 0.00 O ATOM 975 CB GLU A 63 9.214 -2.112 -4.160 1.00 0.00 C ATOM 976 CG GLU A 63 10.333 -3.020 -3.645 1.00 0.00 C ATOM 977 CD GLU A 63 11.344 -3.272 -4.760 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.116 -4.176 -5.550 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.331 -2.555 -4.811 1.00 0.00 O ATOM 0 H GLU A 63 8.793 -0.947 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 63 10.647 -0.480 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.279 -2.346 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.050 -2.288 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.827 -2.556 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.917 -3.966 -3.298 1.00 0.00 H new ATOM 986 N VAL A 64 7.511 0.496 -4.533 1.00 0.00 N ATOM 987 CA VAL A 64 6.632 1.289 -5.406 1.00 0.00 C ATOM 988 C VAL A 64 6.764 2.799 -5.171 1.00 0.00 C ATOM 989 O VAL A 64 6.342 3.592 -6.017 1.00 0.00 O ATOM 990 CB VAL A 64 5.159 0.889 -5.215 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.010 -0.632 -5.336 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.660 1.348 -3.838 1.00 0.00 C ATOM 0 H VAL A 64 7.079 0.185 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 64 6.953 1.072 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 64 4.562 1.372 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.964 -0.907 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.344 -0.953 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.616 -1.119 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.616 1.059 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.261 0.879 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.748 2.432 -3.762 1.00 0.00 H new ATOM 1002 N ASP A 65 7.329 3.200 -4.025 1.00 0.00 N ATOM 1003 CA ASP A 65 7.474 4.627 -3.722 1.00 0.00 C ATOM 1004 C ASP A 65 8.526 5.265 -4.636 1.00 0.00 C ATOM 1005 O ASP A 65 9.704 5.371 -4.286 1.00 0.00 O ATOM 1006 CB ASP A 65 7.860 4.840 -2.249 1.00 0.00 C ATOM 1007 CG ASP A 65 7.089 6.033 -1.675 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.043 7.065 -2.329 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.555 5.897 -0.585 1.00 0.00 O ATOM 0 H ASP A 65 7.686 2.570 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 65 6.512 5.107 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.639 3.942 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.933 5.016 -2.167 1.00 0.00 H new ATOM 1014 N GLU A 66 8.070 5.685 -5.820 1.00 0.00 N ATOM 1015 CA GLU A 66 8.948 6.317 -6.812 1.00 0.00 C ATOM 1016 C GLU A 66 9.429 7.689 -6.330 1.00 0.00 C ATOM 1017 O GLU A 66 10.550 8.104 -6.632 1.00 0.00 O ATOM 1018 CB GLU A 66 8.205 6.496 -8.142 1.00 0.00 C ATOM 1019 CG GLU A 66 7.999 5.131 -8.809 1.00 0.00 C ATOM 1020 CD GLU A 66 9.050 4.923 -9.895 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.156 4.535 -9.556 1.00 0.00 O ATOM 1022 OE2 GLU A 66 8.734 5.154 -11.050 1.00 0.00 O ATOM 0 H GLU A 66 7.098 5.599 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 66 9.810 5.664 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.242 6.976 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.774 7.151 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.070 4.338 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.000 5.074 -9.241 1.00 0.00 H new ATOM 1029 N ASP A 67 8.571 8.387 -5.582 1.00 0.00 N ATOM 1030 CA ASP A 67 8.918 9.713 -5.064 1.00 0.00 C ATOM 1031 C ASP A 67 9.754 9.591 -3.789 1.00 0.00 C ATOM 1032 O ASP A 67 10.730 10.320 -3.601 1.00 0.00 O ATOM 1033 CB ASP A 67 7.652 10.526 -4.746 1.00 0.00 C ATOM 1034 CG ASP A 67 6.671 10.462 -5.918 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.023 10.928 -6.992 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.580 9.949 -5.723 1.00 0.00 O ATOM 0 H ASP A 67 7.640 8.061 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 67 9.494 10.225 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.178 10.136 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.919 11.563 -4.543 1.00 0.00 H new ATOM 1041 N GLY A 68 9.347 8.671 -2.909 1.00 0.00 N ATOM 1042 CA GLY A 68 10.046 8.462 -1.640 1.00 0.00 C ATOM 1043 C GLY A 68 9.665 9.553 -0.641 1.00 0.00 C ATOM 1044 O GLY A 68 10.499 10.018 0.139 1.00 0.00 O ATOM 0 H GLY A 68 8.541 8.062 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.793 7.483 -1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.123 8.470 -1.805 1.00 0.00 H new ATOM 1048 N SER A 69 8.393 9.963 -0.687 1.00 0.00 N ATOM 1049 CA SER A 69 7.889 11.010 0.199 1.00 0.00 C ATOM 1050 C SER A 69 7.273 10.411 1.465 1.00 0.00 C ATOM 1051 O SER A 69 7.618 10.802 2.581 1.00 0.00 O ATOM 1052 CB SER A 69 6.835 11.850 -0.528 1.00 0.00 C ATOM 1053 OG SER A 69 5.866 10.991 -1.123 1.00 0.00 O ATOM 0 H SER A 69 7.697 9.584 -1.329 1.00 0.00 H new ATOM 0 HA SER A 69 8.730 11.641 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.351 12.530 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.310 12.465 -1.293 1.00 0.00 H new ATOM 0 HG SER A 69 5.191 11.530 -1.586 1.00 0.00 H new ATOM 1059 N GLY A 70 6.350 9.465 1.275 1.00 0.00 N ATOM 1060 CA GLY A 70 5.675 8.819 2.403 1.00 0.00 C ATOM 1061 C GLY A 70 4.267 8.360 2.016 1.00 0.00 C ATOM 1062 O GLY A 70 3.723 7.431 2.616 1.00 0.00 O ATOM 0 H GLY A 70 6.055 9.131 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.260 7.963 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.617 9.513 3.241 1.00 0.00 H new ATOM 1066 N THR A 71 3.686 9.020 1.007 1.00 0.00 N ATOM 1067 CA THR A 71 2.345 8.673 0.538 1.00 0.00 C ATOM 1068 C THR A 71 2.435 7.866 -0.756 1.00 0.00 C ATOM 1069 O THR A 71 3.422 7.958 -1.491 1.00 0.00 O ATOM 1070 CB THR A 71 1.521 9.942 0.281 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.176 10.748 -0.691 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.376 10.731 1.583 1.00 0.00 C ATOM 0 H THR A 71 4.123 9.792 0.504 1.00 0.00 H new ATOM 0 HA THR A 71 1.857 8.077 1.309 1.00 0.00 H new ATOM 0 HB THR A 71 0.534 9.662 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.509 11.147 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.791 11.632 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.871 10.115 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.363 11.009 1.952 1.00 0.00 H new ATOM 1080 N VAL A 72 1.392 7.077 -1.030 1.00 0.00 N ATOM 1081 CA VAL A 72 1.360 6.258 -2.241 1.00 0.00 C ATOM 1082 C VAL A 72 0.366 6.837 -3.244 1.00 0.00 C ATOM 1083 O VAL A 72 -0.839 6.880 -2.992 1.00 0.00 O ATOM 1084 CB VAL A 72 0.961 4.811 -1.917 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.120 3.942 -3.167 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.860 4.264 -0.803 1.00 0.00 C ATOM 0 H VAL A 72 0.568 6.989 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 72 2.362 6.261 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.078 4.792 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.836 2.915 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.478 4.325 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.159 3.966 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.574 3.237 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.900 4.287 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.747 4.878 0.090 1.00 0.00 H new ATOM 1096 N ASP A 73 0.886 7.269 -4.391 1.00 0.00 N ATOM 1097 CA ASP A 73 0.037 7.833 -5.442 1.00 0.00 C ATOM 1098 C ASP A 73 -0.530 6.705 -6.301 1.00 0.00 C ATOM 1099 O ASP A 73 -0.193 5.538 -6.101 1.00 0.00 O ATOM 1100 CB ASP A 73 0.842 8.787 -6.334 1.00 0.00 C ATOM 1101 CG ASP A 73 1.409 9.928 -5.492 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.725 10.926 -5.343 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.524 9.788 -5.012 1.00 0.00 O ATOM 0 H ASP A 73 1.880 7.241 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.774 8.388 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.652 8.246 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.205 9.187 -7.123 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.390 7.057 -7.259 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.984 6.048 -8.138 1.00 0.00 C ATOM 1110 C PHE A 74 -0.894 5.364 -8.971 1.00 0.00 C ATOM 1111 O PHE A 74 -0.950 4.157 -9.210 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.028 6.676 -9.070 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.215 5.746 -9.204 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.017 4.398 -9.526 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -5.514 6.230 -9.005 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.111 3.537 -9.653 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -6.610 5.367 -9.134 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.406 4.021 -9.458 1.00 0.00 C ATOM 0 H PHE A 74 -1.687 8.015 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.480 5.306 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.351 7.639 -8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.589 6.865 -10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.016 4.022 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.671 7.268 -8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.954 2.498 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.612 5.740 -8.983 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.251 3.356 -9.557 1.00 0.00 H new ATOM 1128 N ASP A 75 0.116 6.140 -9.381 1.00 0.00 N ATOM 1129 CA ASP A 75 1.227 5.588 -10.158 1.00 0.00 C ATOM 1130 C ASP A 75 1.993 4.565 -9.316 1.00 0.00 C ATOM 1131 O ASP A 75 2.421 3.526 -9.817 1.00 0.00 O ATOM 1132 CB ASP A 75 2.187 6.701 -10.592 1.00 0.00 C ATOM 1133 CG ASP A 75 1.805 7.195 -11.985 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.921 8.031 -12.073 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.399 6.727 -12.941 1.00 0.00 O ATOM 0 H ASP A 75 0.186 7.140 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 75 0.818 5.104 -11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.149 7.525 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.212 6.330 -10.595 1.00 0.00 H new ATOM 1140 N GLU A 76 2.133 4.871 -8.022 1.00 0.00 N ATOM 1141 CA GLU A 76 2.824 3.976 -7.085 1.00 0.00 C ATOM 1142 C GLU A 76 1.885 2.847 -6.631 1.00 0.00 C ATOM 1143 O GLU A 76 2.329 1.801 -6.152 1.00 0.00 O ATOM 1144 CB GLU A 76 3.299 4.757 -5.852 1.00 0.00 C ATOM 1145 CG GLU A 76 3.834 6.131 -6.281 1.00 0.00 C ATOM 1146 CD GLU A 76 4.496 6.831 -5.096 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.795 7.159 -4.157 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.695 7.037 -5.150 1.00 0.00 O ATOM 0 H GLU A 76 1.778 5.729 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 76 3.685 3.548 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.475 4.881 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.079 4.198 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.553 6.013 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.018 6.743 -6.666 1.00 0.00 H new ATOM 1155 N PHE A 77 0.580 3.080 -6.792 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.443 2.102 -6.412 1.00 0.00 C ATOM 1157 C PHE A 77 -0.553 0.990 -7.466 1.00 0.00 C ATOM 1158 O PHE A 77 -0.742 -0.181 -7.130 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.802 2.806 -6.272 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.844 1.846 -5.744 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.791 1.416 -4.412 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.869 1.394 -6.587 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.762 0.535 -3.922 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.839 0.511 -6.095 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.786 0.083 -4.764 1.00 0.00 C ATOM 0 H PHE A 77 0.205 3.943 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.156 1.655 -5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.709 3.658 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.117 3.198 -7.239 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.001 1.764 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.911 1.726 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.722 0.204 -2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.628 0.160 -6.744 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.535 -0.596 -4.386 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.448 1.379 -8.741 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.554 0.423 -9.852 1.00 0.00 C ATOM 1177 C LEU A 78 0.726 -0.400 -10.024 1.00 0.00 C ATOM 1178 O LEU A 78 0.666 -1.579 -10.380 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.844 1.171 -11.153 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.161 1.951 -11.169 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -1.991 3.225 -11.997 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.268 1.084 -11.778 1.00 0.00 C ATOM 0 H LEU A 78 -0.290 2.344 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.369 -0.261 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.026 1.865 -11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.854 0.453 -11.973 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.435 2.217 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.929 3.780 -12.008 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.209 3.843 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.714 2.961 -13.018 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.204 1.643 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.997 0.812 -12.798 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.391 0.180 -11.182 1.00 0.00 H new ATOM 1194 N VAL A 79 1.882 0.227 -9.773 1.00 0.00 N ATOM 1195 CA VAL A 79 3.171 -0.472 -9.910 1.00 0.00 C ATOM 1196 C VAL A 79 3.260 -1.664 -8.953 1.00 0.00 C ATOM 1197 O VAL A 79 3.998 -2.612 -9.205 1.00 0.00 O ATOM 1198 CB VAL A 79 4.353 0.463 -9.638 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.507 1.452 -10.795 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.128 1.234 -8.337 1.00 0.00 C ATOM 0 H VAL A 79 1.955 1.201 -9.479 1.00 0.00 H new ATOM 0 HA VAL A 79 3.223 -0.825 -10.940 1.00 0.00 H new ATOM 0 HB VAL A 79 5.259 -0.135 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.349 2.115 -10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.686 0.904 -11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.596 2.042 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.975 1.895 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.216 1.826 -8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.032 0.531 -7.509 1.00 0.00 H new ATOM 1210 N MET A 80 2.498 -1.603 -7.857 1.00 0.00 N ATOM 1211 CA MET A 80 2.481 -2.682 -6.859 1.00 0.00 C ATOM 1212 C MET A 80 2.305 -4.059 -7.519 1.00 0.00 C ATOM 1213 O MET A 80 2.779 -5.072 -6.999 1.00 0.00 O ATOM 1214 CB MET A 80 1.330 -2.460 -5.874 1.00 0.00 C ATOM 1215 CG MET A 80 1.807 -1.584 -4.713 1.00 0.00 C ATOM 1216 SD MET A 80 0.373 -0.981 -3.786 1.00 0.00 S ATOM 1217 CE MET A 80 1.202 0.393 -2.950 1.00 0.00 C ATOM 0 H MET A 80 1.884 -0.819 -7.636 1.00 0.00 H new ATOM 0 HA MET A 80 3.438 -2.663 -6.338 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.491 -1.983 -6.381 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.972 -3.418 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.464 -2.156 -4.057 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.389 -0.744 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.537 0.814 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.112 0.032 -2.471 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.457 1.162 -3.679 1.00 0.00 H new ATOM 1227 N MET A 81 1.613 -4.086 -8.663 1.00 0.00 N ATOM 1228 CA MET A 81 1.375 -5.340 -9.382 1.00 0.00 C ATOM 1229 C MET A 81 2.595 -5.753 -10.218 1.00 0.00 C ATOM 1230 O MET A 81 2.961 -6.930 -10.251 1.00 0.00 O ATOM 1231 CB MET A 81 0.162 -5.194 -10.307 1.00 0.00 C ATOM 1232 CG MET A 81 -1.110 -5.012 -9.471 1.00 0.00 C ATOM 1233 SD MET A 81 -1.876 -6.626 -9.175 1.00 0.00 S ATOM 1234 CE MET A 81 -3.123 -6.530 -10.483 1.00 0.00 C ATOM 0 H MET A 81 1.211 -3.260 -9.107 1.00 0.00 H new ATOM 0 HA MET A 81 1.188 -6.113 -8.637 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.299 -4.339 -10.969 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.068 -6.076 -10.941 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.869 -4.533 -8.522 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.808 -4.356 -9.991 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.722 -7.441 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.770 -5.670 -10.307 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.630 -6.421 -11.449 1.00 0.00 H new ATOM 1244 N VAL A 82 3.209 -4.782 -10.906 1.00 0.00 N ATOM 1245 CA VAL A 82 4.375 -5.068 -11.759 1.00 0.00 C ATOM 1246 C VAL A 82 5.686 -5.133 -10.960 1.00 0.00 C ATOM 1247 O VAL A 82 6.660 -5.733 -11.419 1.00 0.00 O ATOM 1248 CB VAL A 82 4.517 -4.009 -12.861 1.00 0.00 C ATOM 1249 CG1 VAL A 82 3.256 -3.990 -13.726 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.727 -2.627 -12.238 1.00 0.00 C ATOM 0 H VAL A 82 2.924 -3.803 -10.891 1.00 0.00 H new ATOM 0 HA VAL A 82 4.196 -6.047 -12.203 1.00 0.00 H new ATOM 0 HB VAL A 82 5.379 -4.258 -13.479 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.362 -3.237 -14.507 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.114 -4.969 -14.183 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.393 -3.751 -13.105 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.827 -1.883 -13.028 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.872 -2.377 -11.610 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.632 -2.635 -11.631 1.00 0.00 H new ATOM 1260 N ARG A 83 5.711 -4.517 -9.769 1.00 0.00 N ATOM 1261 CA ARG A 83 6.923 -4.528 -8.936 1.00 0.00 C ATOM 1262 C ARG A 83 7.308 -5.961 -8.548 1.00 0.00 C ATOM 1263 O ARG A 83 8.470 -6.243 -8.254 1.00 0.00 O ATOM 1264 CB ARG A 83 6.735 -3.685 -7.666 1.00 0.00 C ATOM 1265 CG ARG A 83 5.602 -4.258 -6.809 1.00 0.00 C ATOM 1266 CD ARG A 83 5.917 -4.050 -5.325 1.00 0.00 C ATOM 1267 NE ARG A 83 7.055 -4.876 -4.911 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.938 -6.198 -4.711 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.784 -6.805 -4.866 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.990 -6.890 -4.355 1.00 0.00 N ATOM 0 H ARG A 83 4.921 -4.013 -9.366 1.00 0.00 H new ATOM 0 HA ARG A 83 7.726 -4.091 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.661 -3.669 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.509 -2.653 -7.936 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.660 -3.771 -7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.477 -5.320 -7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.139 -2.999 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.043 -4.301 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 83 7.963 -4.433 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.960 -6.271 -5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.712 -7.810 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.889 -6.424 -4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.911 -7.895 -4.201 1.00 0.00 H new ATOM 1284 N CYS A 84 6.318 -6.866 -8.563 1.00 0.00 N ATOM 1285 CA CYS A 84 6.567 -8.271 -8.229 1.00 0.00 C ATOM 1286 C CYS A 84 7.552 -8.901 -9.225 1.00 0.00 C ATOM 1287 O CYS A 84 8.296 -9.820 -8.876 1.00 0.00 O ATOM 1288 CB CYS A 84 5.257 -9.068 -8.250 1.00 0.00 C ATOM 1289 SG CYS A 84 5.417 -10.524 -7.186 1.00 0.00 S ATOM 0 H CYS A 84 5.349 -6.651 -8.800 1.00 0.00 H new ATOM 0 HA CYS A 84 6.998 -8.303 -7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.433 -8.442 -7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.022 -9.374 -9.269 1.00 0.00 H new ATOM 0 HG CYS A 84 4.305 -11.198 -7.203 1.00 0.00 H new