USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 853 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 Single : A 3 LYS NZ :NH3+ -157:sc= -0.158 (180deg=-0.794) USER MOD Single : A 4 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.4!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -1.01 (180deg=-1.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.94) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 52:sc= 0.603 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.0964 (180deg=-0.694) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.237 F(o=-0.85,f=-0.24) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 88:sc= 0.443 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc=-0.00817 (180deg=-0.367) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.1) USER MOD Single : A 63 GLN :FLIP amide:sc= -2.14! C(o=-3!,f=-2.1!) USER MOD Single : A 67 SER OG : rot 70:sc= 1.03 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.117 (180deg=-0.681) USER MOD Single : A 74 THR OG1 : rot 171:sc= -1.08 USER MOD Single : A 76 THR OG1 : rot -48:sc= -2.14! USER MOD Single : A 78 GLN : amide:sc= -3.23! C(o=-3.2!,f=-3.2!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.369) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc=-0.00746 F(o=-0.63,f=-0.0075) USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -2.37! (180deg=-4.75!) USER MOD Single : A 90 SER OG : rot 97:sc= 1.16 USER MOD Single : A 93 ASN : amide:sc= -1.76 K(o=-1.8,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.41 (180deg=-0.797) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -180:sc= 0.405 USER MOD Single : A 102 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.043) USER MOD Single : B 5 TYR OH : rot 0:sc= -1.89 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.277 -1.852 8.878 1.00 0.24 N ATOM 21 CA VAL A 2 -2.964 -1.731 8.174 1.00 0.19 C ATOM 22 C VAL A 2 -2.129 -2.989 8.439 1.00 0.22 C ATOM 23 O VAL A 2 -2.389 -3.731 9.364 1.00 0.28 O ATOM 24 CB VAL A 2 -2.218 -0.501 8.703 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.941 -0.284 7.888 1.00 0.18 C ATOM 26 CG2 VAL A 2 -3.115 0.734 8.576 1.00 0.30 C ATOM 0 HA VAL A 2 -3.130 -1.624 7.102 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.959 -0.660 9.750 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.412 0.591 8.266 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.300 -1.161 7.976 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.200 -0.127 6.841 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.585 1.609 8.952 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.374 0.889 7.529 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -4.025 0.584 9.157 1.00 0.30 H new ATOM 36 N LYS A 3 -1.125 -3.235 7.635 1.00 0.18 N ATOM 37 CA LYS A 3 -0.275 -4.446 7.850 1.00 0.22 C ATOM 38 C LYS A 3 1.108 -4.196 7.240 1.00 0.16 C ATOM 39 O LYS A 3 1.241 -3.899 6.072 1.00 0.13 O ATOM 40 CB LYS A 3 -0.937 -5.668 7.176 1.00 0.26 C ATOM 41 CG LYS A 3 -0.412 -6.990 7.781 1.00 0.34 C ATOM 42 CD LYS A 3 0.889 -7.417 7.095 1.00 0.81 C ATOM 43 CE LYS A 3 1.305 -8.795 7.612 1.00 1.37 C ATOM 44 NZ LYS A 3 1.202 -8.818 9.098 1.00 1.97 N ATOM 0 H LYS A 3 -0.858 -2.652 6.842 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.172 -4.644 8.917 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -2.019 -5.613 7.298 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.736 -5.650 6.105 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.242 -6.865 8.850 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -1.163 -7.772 7.667 1.00 0.34 H new ATOM 0 HD2 LYS A 3 0.750 -7.448 6.014 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.675 -6.689 7.295 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.666 -9.566 7.180 1.00 1.37 H new ATOM 0 HE3 LYS A 3 2.326 -9.018 7.304 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.823 -9.561 9.478 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.492 -7.895 9.480 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.219 -9.014 9.375 1.00 1.97 H new ATOM 58 N GLN A 4 2.144 -4.306 8.031 1.00 0.18 N ATOM 59 CA GLN A 4 3.520 -4.062 7.502 1.00 0.15 C ATOM 60 C GLN A 4 4.121 -5.361 6.962 1.00 0.13 C ATOM 61 O GLN A 4 4.022 -6.410 7.565 1.00 0.14 O ATOM 62 CB GLN A 4 4.405 -3.513 8.634 1.00 0.20 C ATOM 63 CG GLN A 4 5.898 -3.644 8.267 1.00 0.21 C ATOM 64 CD GLN A 4 6.727 -2.681 9.118 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.224 -2.084 10.048 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.988 -2.503 8.834 1.00 0.98 N ATOM 0 H GLN A 4 2.097 -4.554 9.019 1.00 0.18 H new ATOM 0 HA GLN A 4 3.468 -3.338 6.689 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.161 -2.467 8.819 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.203 -4.056 9.557 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.233 -4.668 8.430 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.042 -3.425 7.209 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.411 -3.005 8.053 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.551 -1.862 9.393 1.00 0.98 H new ATOM 75 N ILE A 5 4.776 -5.275 5.834 1.00 0.10 N ATOM 76 CA ILE A 5 5.435 -6.472 5.233 1.00 0.10 C ATOM 77 C ILE A 5 6.938 -6.336 5.470 1.00 0.10 C ATOM 78 O ILE A 5 7.530 -5.340 5.116 1.00 0.11 O ATOM 79 CB ILE A 5 5.177 -6.503 3.721 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.700 -6.174 3.416 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.559 -7.873 3.149 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.734 -7.068 4.214 1.00 0.19 C ATOM 0 H ILE A 5 4.884 -4.415 5.297 1.00 0.10 H new ATOM 0 HA ILE A 5 5.043 -7.385 5.681 1.00 0.10 H new ATOM 0 HB ILE A 5 5.797 -5.744 3.244 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.505 -5.128 3.653 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.513 -6.300 2.350 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.372 -7.884 2.075 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.616 -8.063 3.335 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.961 -8.647 3.629 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.706 -6.802 3.969 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.910 -8.113 3.958 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.902 -6.923 5.281 1.00 0.19 H new ATOM 94 N GLU A 6 7.557 -7.315 6.067 1.00 0.11 N ATOM 95 CA GLU A 6 9.027 -7.233 6.329 1.00 0.14 C ATOM 96 C GLU A 6 9.761 -8.199 5.391 1.00 0.14 C ATOM 97 O GLU A 6 10.958 -8.109 5.202 1.00 0.17 O ATOM 98 CB GLU A 6 9.301 -7.611 7.789 1.00 0.18 C ATOM 99 CG GLU A 6 8.231 -7.000 8.699 1.00 0.31 C ATOM 100 CD GLU A 6 8.524 -7.382 10.151 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.217 -8.504 10.520 1.00 1.96 O ATOM 102 OE2 GLU A 6 9.051 -6.548 10.868 1.00 1.97 O ATOM 0 H GLU A 6 7.109 -8.174 6.387 1.00 0.11 H new ATOM 0 HA GLU A 6 9.382 -6.218 6.149 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.306 -8.696 7.897 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.288 -7.256 8.086 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.222 -5.915 8.591 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.243 -7.358 8.409 1.00 0.31 H new ATOM 109 N SER A 7 9.047 -9.120 4.795 1.00 0.13 N ATOM 110 CA SER A 7 9.695 -10.088 3.861 1.00 0.15 C ATOM 111 C SER A 7 8.668 -10.574 2.835 1.00 0.14 C ATOM 112 O SER A 7 7.475 -10.491 3.048 1.00 0.12 O ATOM 113 CB SER A 7 10.236 -11.277 4.654 1.00 0.20 C ATOM 114 OG SER A 7 9.265 -11.692 5.606 1.00 0.23 O ATOM 0 H SER A 7 8.042 -9.243 4.916 1.00 0.13 H new ATOM 0 HA SER A 7 10.518 -9.598 3.341 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.475 -12.099 3.980 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.161 -11.000 5.159 1.00 0.20 H new ATOM 0 HG SER A 7 9.610 -12.456 6.114 1.00 0.23 H new ATOM 120 N LYS A 8 9.125 -11.073 1.719 1.00 0.15 N ATOM 121 CA LYS A 8 8.182 -11.558 0.671 1.00 0.14 C ATOM 122 C LYS A 8 7.180 -12.544 1.283 1.00 0.14 C ATOM 123 O LYS A 8 6.062 -12.669 0.827 1.00 0.13 O ATOM 124 CB LYS A 8 8.969 -12.260 -0.439 1.00 0.17 C ATOM 125 CG LYS A 8 8.066 -12.466 -1.660 1.00 0.21 C ATOM 126 CD LYS A 8 8.687 -13.510 -2.592 1.00 0.22 C ATOM 127 CE LYS A 8 7.734 -13.786 -3.758 1.00 1.06 C ATOM 128 NZ LYS A 8 6.454 -14.343 -3.235 1.00 1.90 N ATOM 0 H LYS A 8 10.114 -11.166 1.487 1.00 0.15 H new ATOM 0 HA LYS A 8 7.641 -10.707 0.257 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.839 -11.664 -0.714 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.341 -13.221 -0.083 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.076 -12.792 -1.341 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.935 -11.523 -2.191 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.645 -13.152 -2.969 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.884 -14.431 -2.044 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.543 -12.866 -4.311 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.190 -14.488 -4.456 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 5.985 -14.894 -3.981 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.651 -14.960 -2.421 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 5.832 -13.564 -2.937 1.00 1.90 H new ATOM 142 N THR A 9 7.572 -13.252 2.305 1.00 0.16 N ATOM 143 CA THR A 9 6.638 -14.233 2.929 1.00 0.18 C ATOM 144 C THR A 9 5.377 -13.513 3.412 1.00 0.16 C ATOM 145 O THR A 9 4.270 -13.955 3.179 1.00 0.17 O ATOM 146 CB THR A 9 7.328 -14.906 4.111 1.00 0.21 C ATOM 147 OG1 THR A 9 8.630 -15.321 3.724 1.00 0.24 O ATOM 148 CG2 THR A 9 6.513 -16.120 4.561 1.00 0.25 C ATOM 0 H THR A 9 8.495 -13.195 2.735 1.00 0.16 H new ATOM 0 HA THR A 9 6.359 -14.986 2.192 1.00 0.18 H new ATOM 0 HB THR A 9 7.403 -14.199 4.937 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.075 -15.752 4.483 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.009 -16.598 5.406 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.516 -15.798 4.861 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.433 -16.830 3.738 1.00 0.25 H new ATOM 156 N ALA A 10 5.537 -12.409 4.085 1.00 0.16 N ATOM 157 CA ALA A 10 4.352 -11.658 4.588 1.00 0.17 C ATOM 158 C ALA A 10 3.594 -11.030 3.412 1.00 0.15 C ATOM 159 O ALA A 10 2.409 -10.776 3.494 1.00 0.17 O ATOM 160 CB ALA A 10 4.821 -10.562 5.550 1.00 0.20 C ATOM 0 H ALA A 10 6.440 -11.992 4.310 1.00 0.16 H new ATOM 0 HA ALA A 10 3.684 -12.341 5.112 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.958 -10.010 5.921 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.349 -11.016 6.389 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.490 -9.880 5.026 1.00 0.20 H new ATOM 166 N PHE A 11 4.263 -10.775 2.320 1.00 0.12 N ATOM 167 CA PHE A 11 3.571 -10.159 1.152 1.00 0.11 C ATOM 168 C PHE A 11 2.421 -11.057 0.699 1.00 0.13 C ATOM 169 O PHE A 11 1.270 -10.686 0.781 1.00 0.16 O ATOM 170 CB PHE A 11 4.560 -9.981 -0.004 1.00 0.10 C ATOM 171 CG PHE A 11 3.858 -9.341 -1.182 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.439 -8.000 -1.105 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.634 -10.080 -2.360 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.798 -7.398 -2.203 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.990 -9.478 -3.458 1.00 0.18 C ATOM 176 CZ PHE A 11 2.572 -8.136 -3.379 1.00 0.21 C ATOM 0 H PHE A 11 5.256 -10.966 2.186 1.00 0.12 H new ATOM 0 HA PHE A 11 3.178 -9.186 1.447 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.398 -9.360 0.314 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.972 -10.947 -0.295 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.610 -7.432 -0.202 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.956 -11.109 -2.421 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.479 -6.368 -2.143 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.817 -10.046 -4.360 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.078 -7.673 -4.221 1.00 0.21 H new ATOM 186 N GLN A 12 2.722 -12.229 0.216 1.00 0.15 N ATOM 187 CA GLN A 12 1.641 -13.141 -0.252 1.00 0.19 C ATOM 188 C GLN A 12 0.637 -13.374 0.878 1.00 0.17 C ATOM 189 O GLN A 12 -0.560 -13.325 0.676 1.00 0.16 O ATOM 190 CB GLN A 12 2.252 -14.479 -0.674 1.00 0.24 C ATOM 191 CG GLN A 12 3.333 -14.236 -1.729 1.00 1.21 C ATOM 192 CD GLN A 12 4.008 -15.562 -2.085 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.861 -16.056 -3.185 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.746 -16.163 -1.194 1.00 2.47 N ATOM 0 H GLN A 12 3.670 -12.595 0.125 1.00 0.15 H new ATOM 0 HA GLN A 12 1.129 -12.688 -1.101 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.681 -14.984 0.191 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.478 -15.134 -1.075 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.892 -13.790 -2.620 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.072 -13.530 -1.351 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.870 -15.748 -0.270 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.200 -17.048 -1.421 1.00 2.47 H new ATOM 203 N GLU A 13 1.111 -13.629 2.065 1.00 0.19 N ATOM 204 CA GLU A 13 0.180 -13.866 3.200 1.00 0.20 C ATOM 205 C GLU A 13 -0.720 -12.643 3.395 1.00 0.18 C ATOM 206 O GLU A 13 -1.878 -12.765 3.741 1.00 0.19 O ATOM 207 CB GLU A 13 0.993 -14.126 4.474 1.00 0.25 C ATOM 208 CG GLU A 13 1.494 -15.573 4.493 1.00 0.30 C ATOM 209 CD GLU A 13 2.237 -15.839 5.803 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.739 -14.888 6.381 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.294 -16.989 6.208 1.00 2.03 O ATOM 0 H GLU A 13 2.103 -13.683 2.297 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.445 -14.733 2.986 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.838 -13.440 4.521 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.377 -13.935 5.353 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.654 -16.261 4.393 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.155 -15.751 3.645 1.00 0.30 H new ATOM 218 N ALA A 14 -0.205 -11.463 3.178 1.00 0.18 N ATOM 219 CA ALA A 14 -1.047 -10.246 3.355 1.00 0.18 C ATOM 220 C ALA A 14 -2.235 -10.311 2.386 1.00 0.18 C ATOM 221 O ALA A 14 -3.371 -10.105 2.762 1.00 0.19 O ATOM 222 CB ALA A 14 -0.210 -9.001 3.063 1.00 0.20 C ATOM 0 H ALA A 14 0.757 -11.290 2.887 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.415 -10.198 4.380 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.825 -8.110 3.192 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.635 -8.961 3.750 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.158 -9.042 2.038 1.00 0.20 H new ATOM 228 N LEU A 15 -1.973 -10.607 1.139 1.00 0.17 N ATOM 229 CA LEU A 15 -3.075 -10.697 0.132 1.00 0.18 C ATOM 230 C LEU A 15 -4.025 -11.836 0.513 1.00 0.18 C ATOM 231 O LEU A 15 -5.231 -11.711 0.413 1.00 0.18 O ATOM 232 CB LEU A 15 -2.476 -10.970 -1.256 1.00 0.19 C ATOM 233 CG LEU A 15 -1.202 -10.139 -1.449 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.698 -10.310 -2.883 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.505 -8.660 -1.189 1.00 0.62 C ATOM 0 H LEU A 15 -1.039 -10.791 0.772 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.627 -9.758 0.112 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.248 -12.031 -1.361 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.202 -10.722 -2.030 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.439 -10.479 -0.749 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.208 -9.720 -3.023 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.479 -11.361 -3.069 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.464 -9.970 -3.581 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.597 -8.073 -1.327 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.269 -8.317 -1.887 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.865 -8.536 -0.168 1.00 0.62 H new ATOM 247 N ASP A 16 -3.495 -12.947 0.944 1.00 0.19 N ATOM 248 CA ASP A 16 -4.368 -14.094 1.324 1.00 0.21 C ATOM 249 C ASP A 16 -5.225 -13.718 2.537 1.00 0.20 C ATOM 250 O ASP A 16 -6.411 -13.976 2.575 1.00 0.20 O ATOM 251 CB ASP A 16 -3.496 -15.304 1.672 1.00 0.24 C ATOM 252 CG ASP A 16 -4.389 -16.516 1.940 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.855 -17.108 0.980 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.591 -16.833 3.100 1.00 1.09 O ATOM 0 H ASP A 16 -2.494 -13.111 1.050 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.021 -14.340 0.487 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.810 -15.519 0.853 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.887 -15.086 2.549 1.00 0.24 H new ATOM 259 N ALA A 17 -4.632 -13.117 3.532 1.00 0.22 N ATOM 260 CA ALA A 17 -5.413 -12.732 4.744 1.00 0.24 C ATOM 261 C ALA A 17 -6.193 -11.442 4.475 1.00 0.21 C ATOM 262 O ALA A 17 -7.066 -11.066 5.230 1.00 0.22 O ATOM 263 CB ALA A 17 -4.453 -12.512 5.916 1.00 0.30 C ATOM 0 H ALA A 17 -3.641 -12.876 3.559 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.115 -13.529 4.987 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.020 -12.231 6.803 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.903 -13.432 6.114 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.751 -11.716 5.667 1.00 0.30 H new ATOM 269 N ALA A 18 -5.881 -10.757 3.409 1.00 0.21 N ATOM 270 CA ALA A 18 -6.604 -9.490 3.098 1.00 0.22 C ATOM 271 C ALA A 18 -8.055 -9.800 2.725 1.00 0.21 C ATOM 272 O ALA A 18 -8.866 -8.909 2.561 1.00 0.24 O ATOM 273 CB ALA A 18 -5.916 -8.790 1.925 1.00 0.23 C ATOM 0 H ALA A 18 -5.157 -11.019 2.740 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.589 -8.841 3.974 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.442 -7.863 1.695 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -4.883 -8.565 2.191 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -5.932 -9.442 1.052 1.00 0.23 H new ATOM 279 N GLY A 19 -8.391 -11.052 2.587 1.00 0.22 N ATOM 280 CA GLY A 19 -9.790 -11.408 2.220 1.00 0.24 C ATOM 281 C GLY A 19 -10.036 -11.032 0.758 1.00 0.20 C ATOM 282 O GLY A 19 -9.213 -11.280 -0.099 1.00 0.28 O ATOM 0 H GLY A 19 -7.759 -11.843 2.712 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.957 -12.475 2.367 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.493 -10.883 2.867 1.00 0.24 H new ATOM 286 N ASP A 20 -11.166 -10.434 0.468 1.00 0.13 N ATOM 287 CA ASP A 20 -11.483 -10.033 -0.941 1.00 0.18 C ATOM 288 C ASP A 20 -11.613 -8.509 -1.022 1.00 0.15 C ATOM 289 O ASP A 20 -11.966 -7.962 -2.048 1.00 0.22 O ATOM 290 CB ASP A 20 -12.807 -10.681 -1.357 1.00 0.26 C ATOM 291 CG ASP A 20 -13.097 -10.357 -2.823 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.153 -10.083 -3.547 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.258 -10.387 -3.197 1.00 2.21 O ATOM 0 H ASP A 20 -11.888 -10.204 1.151 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.685 -10.362 -1.607 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.756 -11.761 -1.216 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.617 -10.315 -0.726 1.00 0.26 H new ATOM 298 N LYS A 21 -11.324 -7.817 0.049 1.00 0.12 N ATOM 299 CA LYS A 21 -11.426 -6.330 0.027 1.00 0.19 C ATOM 300 C LYS A 21 -10.303 -5.765 -0.839 1.00 0.15 C ATOM 301 O LYS A 21 -9.375 -6.461 -1.202 1.00 0.15 O ATOM 302 CB LYS A 21 -11.285 -5.792 1.453 1.00 0.27 C ATOM 303 CG LYS A 21 -12.612 -5.948 2.202 1.00 0.29 C ATOM 304 CD LYS A 21 -12.367 -5.797 3.704 1.00 0.30 C ATOM 305 CE LYS A 21 -13.701 -5.608 4.424 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.480 -5.650 5.898 1.00 1.90 N ATOM 0 H LYS A 21 -11.022 -8.218 0.937 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.392 -6.033 -0.382 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.496 -6.330 1.978 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.993 -4.742 1.428 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.325 -5.197 1.861 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.050 -6.923 1.990 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.856 -6.679 4.090 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.716 -4.943 3.893 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.148 -4.656 4.139 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.400 -6.390 4.128 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.388 -5.521 6.389 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.071 -6.569 6.162 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.827 -4.889 6.173 1.00 1.90 H new ATOM 320 N LEU A 22 -10.371 -4.506 -1.170 1.00 0.13 N ATOM 321 CA LEU A 22 -9.300 -3.912 -2.004 1.00 0.11 C ATOM 322 C LEU A 22 -7.986 -3.972 -1.210 1.00 0.10 C ATOM 323 O LEU A 22 -7.991 -4.172 -0.012 1.00 0.11 O ATOM 324 CB LEU A 22 -9.668 -2.446 -2.336 1.00 0.12 C ATOM 325 CG LEU A 22 -9.423 -2.126 -3.820 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.722 -0.642 -4.060 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.964 -2.408 -4.209 1.00 0.11 C ATOM 0 H LEU A 22 -11.120 -3.868 -0.899 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.186 -4.460 -2.939 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.716 -2.269 -2.093 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.078 -1.772 -1.715 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.074 -2.756 -4.427 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.552 -0.402 -5.110 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.761 -0.434 -3.804 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.066 -0.033 -3.438 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.817 -2.174 -5.263 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.300 -1.790 -3.604 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.738 -3.460 -4.036 1.00 0.11 H new ATOM 339 N VAL A 23 -6.864 -3.790 -1.858 1.00 0.08 N ATOM 340 CA VAL A 23 -5.562 -3.830 -1.126 1.00 0.09 C ATOM 341 C VAL A 23 -4.593 -2.827 -1.746 1.00 0.08 C ATOM 342 O VAL A 23 -4.067 -3.046 -2.817 1.00 0.09 O ATOM 343 CB VAL A 23 -4.955 -5.231 -1.226 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.786 -5.347 -0.248 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.015 -6.277 -0.881 1.00 0.10 C ATOM 0 H VAL A 23 -6.793 -3.616 -2.860 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.736 -3.578 -0.080 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.600 -5.401 -2.242 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.351 -6.344 -0.317 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.029 -4.603 -0.496 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.143 -5.176 0.768 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.580 -7.274 -0.953 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.374 -6.110 0.135 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.849 -6.194 -1.578 1.00 0.10 H new ATOM 355 N VAL A 24 -4.338 -1.734 -1.071 1.00 0.08 N ATOM 356 CA VAL A 24 -3.383 -0.717 -1.602 1.00 0.08 C ATOM 357 C VAL A 24 -2.061 -0.866 -0.850 1.00 0.08 C ATOM 358 O VAL A 24 -2.040 -1.039 0.353 1.00 0.08 O ATOM 359 CB VAL A 24 -3.949 0.687 -1.389 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.186 1.689 -2.262 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.431 0.709 -1.767 1.00 0.09 C ATOM 0 H VAL A 24 -4.754 -1.502 -0.169 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.226 -0.868 -2.670 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.838 0.961 -0.340 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.592 2.689 -2.108 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.131 1.680 -1.989 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.292 1.412 -3.311 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.831 1.711 -1.614 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.543 0.430 -2.815 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.976 0.002 -1.142 1.00 0.09 H new ATOM 371 N VAL A 25 -0.960 -0.818 -1.553 1.00 0.09 N ATOM 372 CA VAL A 25 0.377 -0.977 -0.899 1.00 0.09 C ATOM 373 C VAL A 25 1.153 0.332 -0.994 1.00 0.10 C ATOM 374 O VAL A 25 1.181 0.976 -2.021 1.00 0.17 O ATOM 375 CB VAL A 25 1.157 -2.071 -1.626 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.348 -2.511 -0.771 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.241 -3.270 -1.878 1.00 0.09 C ATOM 0 H VAL A 25 -0.928 -0.674 -2.562 1.00 0.09 H new ATOM 0 HA VAL A 25 0.241 -1.244 0.149 1.00 0.09 H new ATOM 0 HB VAL A 25 1.520 -1.682 -2.578 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.902 -3.291 -1.293 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.003 -1.658 -0.593 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.988 -2.897 0.183 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.798 -4.050 -2.397 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.123 -3.656 -0.926 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.605 -2.959 -2.491 1.00 0.09 H new ATOM 387 N ASP A 26 1.792 0.722 0.076 1.00 0.08 N ATOM 388 CA ASP A 26 2.584 1.987 0.077 1.00 0.08 C ATOM 389 C ASP A 26 4.077 1.649 0.061 1.00 0.08 C ATOM 390 O ASP A 26 4.656 1.308 1.073 1.00 0.09 O ATOM 391 CB ASP A 26 2.256 2.779 1.342 1.00 0.09 C ATOM 392 CG ASP A 26 3.099 4.054 1.381 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.561 4.467 0.330 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.267 4.597 2.460 1.00 0.96 O ATOM 0 H ASP A 26 1.799 0.212 0.960 1.00 0.08 H new ATOM 0 HA ASP A 26 2.336 2.580 -0.803 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.196 3.031 1.361 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.455 2.172 2.225 1.00 0.09 H new ATOM 399 N PHE A 27 4.709 1.753 -1.076 1.00 0.08 N ATOM 400 CA PHE A 27 6.166 1.451 -1.156 1.00 0.09 C ATOM 401 C PHE A 27 6.933 2.732 -0.837 1.00 0.11 C ATOM 402 O PHE A 27 7.406 3.414 -1.726 1.00 0.13 O ATOM 403 CB PHE A 27 6.509 1.016 -2.578 1.00 0.10 C ATOM 404 CG PHE A 27 6.135 -0.433 -2.802 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.803 -0.790 -3.090 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.128 -1.425 -2.739 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.470 -2.142 -3.308 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.793 -2.775 -2.958 1.00 0.21 C ATOM 409 CZ PHE A 27 5.465 -3.131 -3.243 1.00 0.23 C ATOM 0 H PHE A 27 4.277 2.035 -1.956 1.00 0.08 H new ATOM 0 HA PHE A 27 6.429 0.659 -0.455 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.982 1.647 -3.293 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.575 1.153 -2.758 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.038 -0.029 -3.144 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.150 -1.152 -2.522 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.449 -2.418 -3.525 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.557 -3.536 -2.907 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.208 -4.166 -3.412 1.00 0.23 H new ATOM 419 N SER A 28 7.047 3.065 0.422 1.00 0.11 N ATOM 420 CA SER A 28 7.776 4.308 0.822 1.00 0.12 C ATOM 421 C SER A 28 9.042 3.932 1.586 1.00 0.10 C ATOM 422 O SER A 28 9.102 2.915 2.246 1.00 0.11 O ATOM 423 CB SER A 28 6.875 5.152 1.722 1.00 0.17 C ATOM 424 OG SER A 28 5.716 5.539 0.996 1.00 1.03 O ATOM 0 H SER A 28 6.663 2.525 1.198 1.00 0.11 H new ATOM 0 HA SER A 28 8.044 4.877 -0.068 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.591 4.583 2.607 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.412 6.035 2.069 1.00 0.17 H new ATOM 0 HG SER A 28 5.302 4.747 0.595 1.00 1.03 H new ATOM 430 N ALA A 29 10.055 4.751 1.511 1.00 0.10 N ATOM 431 CA ALA A 29 11.319 4.450 2.242 1.00 0.15 C ATOM 432 C ALA A 29 11.252 5.097 3.630 1.00 0.18 C ATOM 433 O ALA A 29 10.923 6.259 3.771 1.00 0.26 O ATOM 434 CB ALA A 29 12.502 5.007 1.442 1.00 0.19 C ATOM 0 H ALA A 29 10.062 5.618 0.974 1.00 0.10 H new ATOM 0 HA ALA A 29 11.450 3.374 2.358 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.431 4.792 1.969 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.527 4.541 0.457 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.390 6.085 1.330 1.00 0.19 H new ATOM 440 N THR A 30 11.543 4.346 4.656 1.00 0.18 N ATOM 441 CA THR A 30 11.478 4.902 6.039 1.00 0.23 C ATOM 442 C THR A 30 12.558 5.970 6.248 1.00 0.26 C ATOM 443 O THR A 30 12.400 6.872 7.044 1.00 0.31 O ATOM 444 CB THR A 30 11.691 3.769 7.047 1.00 0.26 C ATOM 445 OG1 THR A 30 11.656 4.299 8.365 1.00 0.32 O ATOM 446 CG2 THR A 30 13.048 3.108 6.798 1.00 0.28 C ATOM 0 H THR A 30 11.824 3.367 4.597 1.00 0.18 H new ATOM 0 HA THR A 30 10.500 5.361 6.185 1.00 0.23 H new ATOM 0 HB THR A 30 10.902 3.026 6.931 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.791 3.576 9.012 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.197 2.302 7.516 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.075 2.702 5.787 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.840 3.848 6.913 1.00 0.28 H new ATOM 454 N TRP A 31 13.661 5.869 5.556 1.00 0.26 N ATOM 455 CA TRP A 31 14.755 6.873 5.740 1.00 0.32 C ATOM 456 C TRP A 31 14.554 8.063 4.802 1.00 0.32 C ATOM 457 O TRP A 31 15.249 9.056 4.894 1.00 0.36 O ATOM 458 CB TRP A 31 16.099 6.210 5.435 1.00 0.34 C ATOM 459 CG TRP A 31 16.192 5.889 3.978 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.802 4.722 3.412 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.697 6.722 2.896 1.00 0.33 C ATOM 462 NE1 TRP A 31 16.042 4.782 2.050 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.591 5.995 1.681 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.234 8.028 2.850 1.00 0.40 C ATOM 465 CZ2 TRP A 31 17.005 6.545 0.460 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.651 8.586 1.625 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.537 7.846 0.432 1.00 0.40 C ATOM 0 H TRP A 31 13.854 5.137 4.872 1.00 0.26 H new ATOM 0 HA TRP A 31 14.737 7.231 6.769 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.915 6.874 5.722 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.206 5.299 6.024 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.374 3.881 3.938 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.839 4.024 1.399 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.326 8.603 3.760 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.916 5.974 -0.452 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 18.060 9.585 1.601 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.858 8.278 -0.504 1.00 0.40 H new ATOM 478 N CYS A 32 13.624 7.969 3.894 1.00 0.28 N ATOM 479 CA CYS A 32 13.388 9.089 2.939 1.00 0.30 C ATOM 480 C CYS A 32 12.222 9.949 3.436 1.00 0.31 C ATOM 481 O CYS A 32 11.157 9.456 3.751 1.00 0.29 O ATOM 482 CB CYS A 32 13.086 8.491 1.561 1.00 0.28 C ATOM 483 SG CYS A 32 13.646 9.619 0.258 1.00 0.32 S ATOM 0 H CYS A 32 13.014 7.161 3.771 1.00 0.28 H new ATOM 0 HA CYS A 32 14.268 9.727 2.867 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.584 7.527 1.457 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.016 8.310 1.461 1.00 0.28 H new ATOM 488 N GLY A 33 12.431 11.233 3.520 1.00 0.34 N ATOM 489 CA GLY A 33 11.365 12.151 4.002 1.00 0.36 C ATOM 490 C GLY A 33 10.212 12.254 2.989 1.00 0.35 C ATOM 491 O GLY A 33 9.077 12.026 3.343 1.00 0.33 O ATOM 0 H GLY A 33 13.308 11.690 3.271 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.981 11.795 4.958 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.787 13.141 4.177 1.00 0.36 H new ATOM 495 N PRO A 34 10.523 12.623 1.764 1.00 0.37 N ATOM 496 CA PRO A 34 9.493 12.793 0.718 1.00 0.38 C ATOM 497 C PRO A 34 8.569 11.572 0.639 1.00 0.35 C ATOM 498 O PRO A 34 7.390 11.693 0.373 1.00 0.36 O ATOM 499 CB PRO A 34 10.294 12.991 -0.594 1.00 0.42 C ATOM 500 CG PRO A 34 11.777 13.231 -0.188 1.00 0.44 C ATOM 501 CD PRO A 34 11.906 12.892 1.314 1.00 0.40 C ATOM 0 HA PRO A 34 8.835 13.637 0.923 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.207 12.114 -1.236 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.906 13.839 -1.159 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.443 12.605 -0.781 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.063 14.266 -0.374 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.548 12.025 1.469 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.348 13.719 1.869 1.00 0.40 H new ATOM 509 N ALA A 35 9.087 10.402 0.862 1.00 0.33 N ATOM 510 CA ALA A 35 8.225 9.191 0.791 1.00 0.32 C ATOM 511 C ALA A 35 7.378 9.105 2.062 1.00 0.39 C ATOM 512 O ALA A 35 6.167 9.198 2.027 1.00 0.81 O ATOM 513 CB ALA A 35 9.112 7.950 0.666 1.00 0.36 C ATOM 0 H ALA A 35 10.066 10.229 1.090 1.00 0.33 H new ATOM 0 HA ALA A 35 7.567 9.249 -0.076 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.486 7.059 0.614 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.715 8.024 -0.239 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.767 7.882 1.534 1.00 0.36 H new ATOM 519 N LYS A 36 8.015 8.934 3.183 1.00 0.30 N ATOM 520 CA LYS A 36 7.276 8.846 4.475 1.00 0.28 C ATOM 521 C LYS A 36 6.450 10.119 4.695 1.00 0.24 C ATOM 522 O LYS A 36 5.526 10.141 5.482 1.00 0.25 O ATOM 523 CB LYS A 36 8.309 8.684 5.604 1.00 0.35 C ATOM 524 CG LYS A 36 7.711 9.103 6.956 1.00 0.38 C ATOM 525 CD LYS A 36 8.578 8.565 8.102 1.00 0.49 C ATOM 526 CE LYS A 36 8.288 9.357 9.381 1.00 1.22 C ATOM 527 NZ LYS A 36 6.815 9.498 9.557 1.00 1.92 N ATOM 0 H LYS A 36 9.028 8.850 3.263 1.00 0.30 H new ATOM 0 HA LYS A 36 6.594 7.995 4.463 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.640 7.647 5.654 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.189 9.290 5.387 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.649 10.190 7.015 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.694 8.721 7.048 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.371 7.507 8.262 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.633 8.647 7.843 1.00 0.49 H new ATOM 0 HE2 LYS A 36 8.720 8.848 10.242 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.754 10.341 9.325 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.593 9.585 10.569 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 6.485 10.348 9.056 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.337 8.660 9.168 1.00 1.92 H new ATOM 541 N MET A 37 6.792 11.182 4.030 1.00 0.23 N ATOM 542 CA MET A 37 6.044 12.453 4.228 1.00 0.24 C ATOM 543 C MET A 37 4.569 12.281 3.859 1.00 0.20 C ATOM 544 O MET A 37 3.736 13.072 4.255 1.00 0.20 O ATOM 545 CB MET A 37 6.679 13.555 3.363 1.00 0.29 C ATOM 546 CG MET A 37 5.791 14.808 3.341 1.00 1.31 C ATOM 547 SD MET A 37 5.373 15.299 5.032 1.00 2.12 S ATOM 548 CE MET A 37 5.094 17.055 4.695 1.00 3.13 C ATOM 0 H MET A 37 7.557 11.228 3.357 1.00 0.23 H new ATOM 0 HA MET A 37 6.098 12.734 5.280 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.664 13.808 3.754 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.824 13.188 2.347 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.309 15.622 2.835 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.881 14.609 2.776 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.819 17.564 5.619 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.006 17.498 4.295 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.289 17.163 3.968 1.00 3.13 H new ATOM 558 N ILE A 38 4.232 11.274 3.086 1.00 0.18 N ATOM 559 CA ILE A 38 2.801 11.089 2.673 1.00 0.15 C ATOM 560 C ILE A 38 2.117 10.009 3.516 1.00 0.16 C ATOM 561 O ILE A 38 0.971 9.677 3.289 1.00 0.16 O ATOM 562 CB ILE A 38 2.739 10.684 1.198 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.814 11.456 0.420 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.343 11.012 0.618 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.633 11.229 -1.089 1.00 0.28 C ATOM 0 H ILE A 38 4.881 10.575 2.725 1.00 0.18 H new ATOM 0 HA ILE A 38 2.280 12.034 2.827 1.00 0.15 H new ATOM 0 HB ILE A 38 2.916 9.612 1.108 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.746 12.520 0.647 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.806 11.127 0.730 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.308 10.721 -0.432 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.581 10.464 1.172 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.156 12.082 0.704 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.399 11.780 -1.634 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.724 10.166 -1.310 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.647 11.580 -1.394 1.00 0.28 H new ATOM 577 N LYS A 39 2.775 9.461 4.502 1.00 0.19 N ATOM 578 CA LYS A 39 2.079 8.433 5.307 1.00 0.22 C ATOM 579 C LYS A 39 0.871 9.007 6.079 1.00 0.20 C ATOM 580 O LYS A 39 -0.079 8.285 6.283 1.00 0.21 O ATOM 581 CB LYS A 39 3.038 7.677 6.265 1.00 0.31 C ATOM 582 CG LYS A 39 3.359 8.465 7.561 1.00 0.34 C ATOM 583 CD LYS A 39 3.836 7.517 8.680 1.00 0.45 C ATOM 584 CE LYS A 39 4.748 6.415 8.127 1.00 1.16 C ATOM 585 NZ LYS A 39 5.488 5.781 9.248 1.00 1.62 N ATOM 0 H LYS A 39 3.734 9.675 4.775 1.00 0.19 H new ATOM 0 HA LYS A 39 1.696 7.708 4.589 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.592 6.719 6.532 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.968 7.461 5.740 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.129 9.209 7.357 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.472 9.006 7.891 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.371 8.088 9.439 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.973 7.066 9.170 1.00 0.45 H new ATOM 0 HE2 LYS A 39 4.156 5.668 7.599 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.449 6.835 7.405 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 6.108 5.033 8.876 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 6.064 6.498 9.733 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.811 5.367 9.921 1.00 1.62 H new ATOM 599 N PRO A 40 0.904 10.258 6.528 1.00 0.20 N ATOM 600 CA PRO A 40 -0.232 10.784 7.304 1.00 0.21 C ATOM 601 C PRO A 40 -1.523 10.679 6.490 1.00 0.17 C ATOM 602 O PRO A 40 -2.608 10.808 7.014 1.00 0.20 O ATOM 603 CB PRO A 40 0.136 12.251 7.621 1.00 0.24 C ATOM 604 CG PRO A 40 1.583 12.491 7.108 1.00 0.25 C ATOM 605 CD PRO A 40 1.998 11.244 6.305 1.00 0.21 C ATOM 0 HA PRO A 40 -0.410 10.222 8.221 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.561 12.934 7.136 1.00 0.24 H new ATOM 0 HB3 PRO A 40 0.073 12.439 8.693 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.626 13.383 6.482 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.264 12.655 7.943 1.00 0.25 H new ATOM 0 HD2 PRO A 40 2.110 11.476 5.246 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.956 10.854 6.649 1.00 0.21 H new ATOM 613 N PHE A 41 -1.407 10.431 5.214 1.00 0.14 N ATOM 614 CA PHE A 41 -2.622 10.297 4.355 1.00 0.14 C ATOM 615 C PHE A 41 -2.912 8.817 4.146 1.00 0.11 C ATOM 616 O PHE A 41 -3.899 8.296 4.613 1.00 0.13 O ATOM 617 CB PHE A 41 -2.358 10.961 2.997 1.00 0.15 C ATOM 618 CG PHE A 41 -2.553 12.452 3.120 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.538 13.250 3.673 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.753 13.038 2.680 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.722 14.642 3.789 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.941 14.427 2.794 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.924 15.230 3.349 1.00 0.27 C ATOM 0 H PHE A 41 -0.519 10.315 4.726 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.474 10.779 4.834 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.343 10.742 2.664 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.034 10.556 2.244 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.617 12.797 4.009 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.531 12.421 2.254 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -0.943 15.257 4.214 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.863 14.878 2.457 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.067 16.297 3.437 1.00 0.27 H new ATOM 633 N PHE A 42 -2.051 8.143 3.445 1.00 0.10 N ATOM 634 CA PHE A 42 -2.258 6.696 3.180 1.00 0.11 C ATOM 635 C PHE A 42 -2.649 5.966 4.471 1.00 0.11 C ATOM 636 O PHE A 42 -3.641 5.266 4.521 1.00 0.12 O ATOM 637 CB PHE A 42 -0.958 6.116 2.624 1.00 0.13 C ATOM 638 CG PHE A 42 -1.104 4.633 2.414 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.763 4.160 1.274 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.566 3.726 3.348 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.891 2.783 1.061 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.697 2.340 3.135 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.361 1.868 1.991 1.00 0.10 C ATOM 0 H PHE A 42 -1.202 8.537 3.039 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.065 6.566 2.459 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.707 6.602 1.681 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.137 6.315 3.313 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.173 4.858 0.559 1.00 0.11 H new ATOM 0 HD2 PHE A 42 -0.054 4.093 4.225 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.399 2.420 0.179 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.288 1.642 3.850 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.465 0.806 1.825 1.00 0.10 H new ATOM 653 N HIS A 43 -1.879 6.117 5.512 1.00 0.14 N ATOM 654 CA HIS A 43 -2.214 5.424 6.791 1.00 0.16 C ATOM 655 C HIS A 43 -3.500 6.021 7.383 1.00 0.16 C ATOM 656 O HIS A 43 -4.275 5.332 8.015 1.00 0.18 O ATOM 657 CB HIS A 43 -1.034 5.576 7.778 1.00 0.21 C ATOM 658 CG HIS A 43 -1.515 5.473 9.201 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.109 6.392 10.027 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -1.433 4.300 9.930 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -2.397 5.800 11.254 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.969 4.539 11.141 1.00 0.39 N flip ATOM 0 H HIS A 43 -1.034 6.688 5.535 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.382 4.363 6.605 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.289 4.804 7.584 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.545 6.538 7.623 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.015 3.364 9.590 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.865 6.260 12.112 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.040 3.842 11.883 1.00 0.39 H new ATOM 670 N SER A 44 -3.728 7.293 7.202 1.00 0.20 N ATOM 671 CA SER A 44 -4.960 7.909 7.775 1.00 0.25 C ATOM 672 C SER A 44 -6.199 7.243 7.178 1.00 0.20 C ATOM 673 O SER A 44 -7.157 6.963 7.872 1.00 0.21 O ATOM 674 CB SER A 44 -4.985 9.404 7.459 1.00 0.34 C ATOM 675 OG SER A 44 -6.330 9.863 7.469 1.00 0.97 O ATOM 0 H SER A 44 -3.120 7.929 6.686 1.00 0.20 H new ATOM 0 HA SER A 44 -4.959 7.766 8.856 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.396 9.953 8.194 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.532 9.589 6.485 1.00 0.34 H new ATOM 0 HG SER A 44 -6.350 10.822 7.268 1.00 0.97 H new ATOM 681 N LEU A 45 -6.196 6.986 5.898 1.00 0.18 N ATOM 682 CA LEU A 45 -7.385 6.340 5.271 1.00 0.18 C ATOM 683 C LEU A 45 -7.744 5.073 6.052 1.00 0.16 C ATOM 684 O LEU A 45 -8.821 4.533 5.914 1.00 0.23 O ATOM 685 CB LEU A 45 -7.074 5.967 3.816 1.00 0.19 C ATOM 686 CG LEU A 45 -6.599 7.199 3.030 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.386 6.809 1.566 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.646 8.320 3.117 1.00 0.50 C ATOM 0 H LEU A 45 -5.426 7.194 5.262 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.222 7.037 5.291 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.306 5.194 3.790 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.963 5.549 3.344 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.663 7.559 3.457 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.049 7.679 1.003 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.633 6.023 1.505 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.324 6.446 1.146 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.298 9.187 2.556 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.589 7.971 2.696 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.795 8.598 4.160 1.00 0.50 H new ATOM 700 N SER A 46 -6.850 4.593 6.872 1.00 0.20 N ATOM 701 CA SER A 46 -7.149 3.362 7.659 1.00 0.25 C ATOM 702 C SER A 46 -8.398 3.587 8.516 1.00 0.17 C ATOM 703 O SER A 46 -9.163 2.676 8.763 1.00 0.15 O ATOM 704 CB SER A 46 -5.964 3.039 8.570 1.00 0.36 C ATOM 705 OG SER A 46 -4.789 2.904 7.783 1.00 0.51 O ATOM 0 H SER A 46 -5.928 4.998 7.031 1.00 0.20 H new ATOM 0 HA SER A 46 -7.323 2.532 6.974 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.832 3.830 9.308 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.154 2.118 9.121 1.00 0.36 H new ATOM 0 HG SER A 46 -4.366 3.781 7.673 1.00 0.51 H new ATOM 711 N GLU A 47 -8.604 4.792 8.983 1.00 0.21 N ATOM 712 CA GLU A 47 -9.797 5.074 9.838 1.00 0.21 C ATOM 713 C GLU A 47 -10.950 5.595 8.976 1.00 0.18 C ATOM 714 O GLU A 47 -12.094 5.582 9.384 1.00 0.18 O ATOM 715 CB GLU A 47 -9.426 6.125 10.889 1.00 0.32 C ATOM 716 CG GLU A 47 -8.053 5.794 11.476 1.00 0.39 C ATOM 717 CD GLU A 47 -7.791 6.675 12.699 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.227 6.304 13.776 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.156 7.705 12.536 1.00 1.98 O ATOM 0 H GLU A 47 -7.997 5.593 8.809 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.112 4.154 10.331 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.411 7.117 10.438 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.176 6.146 11.679 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.011 4.742 11.758 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.278 5.955 10.727 1.00 0.39 H new ATOM 726 N LYS A 48 -10.662 6.054 7.787 1.00 0.18 N ATOM 727 CA LYS A 48 -11.750 6.572 6.903 1.00 0.17 C ATOM 728 C LYS A 48 -12.270 5.429 6.028 1.00 0.15 C ATOM 729 O LYS A 48 -13.382 5.463 5.540 1.00 0.18 O ATOM 730 CB LYS A 48 -11.193 7.687 6.009 1.00 0.21 C ATOM 731 CG LYS A 48 -12.350 8.500 5.422 1.00 0.26 C ATOM 732 CD LYS A 48 -11.811 9.463 4.360 1.00 1.09 C ATOM 733 CE LYS A 48 -12.894 10.482 3.996 1.00 1.51 C ATOM 734 NZ LYS A 48 -14.123 9.767 3.553 1.00 2.16 N ATOM 0 H LYS A 48 -9.723 6.093 7.389 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.563 6.968 7.512 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.535 8.336 6.587 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.593 7.258 5.207 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.090 7.833 4.981 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.854 9.058 6.211 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.926 9.976 4.735 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.506 8.908 3.473 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.118 11.113 4.856 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.537 11.139 3.203 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.736 10.423 3.027 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.859 8.971 2.938 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.634 9.407 4.384 1.00 2.16 H new ATOM 748 N TYR A 49 -11.465 4.415 5.831 1.00 0.13 N ATOM 749 CA TYR A 49 -11.884 3.251 4.991 1.00 0.13 C ATOM 750 C TYR A 49 -11.542 1.953 5.724 1.00 0.11 C ATOM 751 O TYR A 49 -10.669 1.211 5.322 1.00 0.11 O ATOM 752 CB TYR A 49 -11.139 3.302 3.648 1.00 0.15 C ATOM 753 CG TYR A 49 -11.823 4.291 2.732 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.062 3.962 2.157 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.230 5.541 2.461 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.711 4.875 1.310 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.879 6.457 1.615 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.120 6.124 1.037 1.00 0.21 C ATOM 759 OH TYR A 49 -13.759 7.024 0.205 1.00 0.24 O ATOM 0 H TYR A 49 -10.525 4.343 6.221 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.958 3.291 4.810 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.101 3.594 3.806 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.126 2.313 3.189 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.516 3.005 2.367 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.278 5.795 2.903 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.663 4.620 0.868 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.427 7.416 1.408 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.217 7.836 0.123 1.00 0.24 H new ATOM 769 N SER A 50 -12.231 1.671 6.794 1.00 0.12 N ATOM 770 CA SER A 50 -11.954 0.419 7.549 1.00 0.13 C ATOM 771 C SER A 50 -12.356 -0.783 6.691 1.00 0.13 C ATOM 772 O SER A 50 -12.137 -1.921 7.055 1.00 0.14 O ATOM 773 CB SER A 50 -12.767 0.416 8.845 1.00 0.16 C ATOM 774 OG SER A 50 -14.152 0.459 8.528 1.00 0.17 O ATOM 0 H SER A 50 -12.974 2.254 7.178 1.00 0.12 H new ATOM 0 HA SER A 50 -10.892 0.360 7.788 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.543 -0.478 9.427 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.496 1.274 9.461 1.00 0.16 H new ATOM 0 HG SER A 50 -14.677 0.455 9.355 1.00 0.17 H new ATOM 780 N ASN A 51 -12.946 -0.532 5.551 1.00 0.13 N ATOM 781 CA ASN A 51 -13.373 -1.648 4.655 1.00 0.15 C ATOM 782 C ASN A 51 -12.291 -1.904 3.605 1.00 0.13 C ATOM 783 O ASN A 51 -12.463 -2.706 2.707 1.00 0.14 O ATOM 784 CB ASN A 51 -14.677 -1.257 3.956 1.00 0.17 C ATOM 785 CG ASN A 51 -15.270 -2.477 3.248 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.155 -3.125 3.770 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.819 -2.819 2.073 1.00 0.32 N ATOM 0 H ASN A 51 -13.151 0.404 5.200 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.526 -2.553 5.244 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.388 -0.866 4.684 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.490 -0.462 3.235 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.209 -3.630 1.593 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.076 -2.275 1.634 1.00 0.32 H new ATOM 794 N VAL A 52 -11.174 -1.225 3.712 1.00 0.11 N ATOM 795 CA VAL A 52 -10.058 -1.412 2.729 1.00 0.10 C ATOM 796 C VAL A 52 -8.813 -1.908 3.465 1.00 0.10 C ATOM 797 O VAL A 52 -8.600 -1.603 4.621 1.00 0.11 O ATOM 798 CB VAL A 52 -9.748 -0.076 2.058 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.542 -0.235 1.129 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.964 0.376 1.247 1.00 0.12 C ATOM 0 H VAL A 52 -10.985 -0.542 4.446 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.353 -2.142 1.975 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.519 0.670 2.819 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.322 0.720 0.651 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.677 -0.558 1.708 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.767 -0.980 0.365 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.747 1.330 0.766 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.192 -0.370 0.486 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.821 0.491 1.910 1.00 0.12 H new ATOM 810 N ILE A 53 -7.993 -2.679 2.800 1.00 0.09 N ATOM 811 CA ILE A 53 -6.753 -3.215 3.445 1.00 0.09 C ATOM 812 C ILE A 53 -5.550 -2.385 2.976 1.00 0.09 C ATOM 813 O ILE A 53 -5.325 -2.220 1.793 1.00 0.14 O ATOM 814 CB ILE A 53 -6.562 -4.677 3.020 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.918 -5.414 3.034 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.549 -5.378 3.941 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.691 -5.184 4.351 1.00 0.17 C ATOM 0 H ILE A 53 -8.129 -2.964 1.830 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.839 -3.157 4.530 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.167 -4.699 2.004 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.524 -5.073 2.194 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.751 -6.482 2.894 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.426 -6.414 3.625 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.589 -4.865 3.884 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.913 -5.353 4.968 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.639 -5.722 4.315 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.098 -5.549 5.189 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.883 -4.119 4.479 1.00 0.17 H new ATOM 829 N PHE A 54 -4.781 -1.860 3.896 1.00 0.08 N ATOM 830 CA PHE A 54 -3.586 -1.032 3.524 1.00 0.08 C ATOM 831 C PHE A 54 -2.313 -1.750 3.967 1.00 0.08 C ATOM 832 O PHE A 54 -2.228 -2.254 5.067 1.00 0.11 O ATOM 833 CB PHE A 54 -3.676 0.318 4.233 1.00 0.08 C ATOM 834 CG PHE A 54 -4.919 1.039 3.769 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.956 1.607 2.485 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.036 1.143 4.619 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.111 2.281 2.046 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.192 1.818 4.181 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.229 2.387 2.894 1.00 0.09 C ATOM 0 H PHE A 54 -4.929 -1.969 4.899 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.563 -0.883 2.444 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.706 0.174 5.313 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.791 0.916 4.016 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.098 1.527 1.834 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.007 0.706 5.606 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.139 2.717 1.058 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.050 1.899 4.832 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.115 2.905 2.558 1.00 0.09 H new ATOM 849 N LEU A 55 -1.326 -1.811 3.110 1.00 0.08 N ATOM 850 CA LEU A 55 -0.045 -2.508 3.457 1.00 0.09 C ATOM 851 C LEU A 55 1.101 -1.487 3.463 1.00 0.09 C ATOM 852 O LEU A 55 0.925 -0.335 3.118 1.00 0.10 O ATOM 853 CB LEU A 55 0.250 -3.591 2.402 1.00 0.10 C ATOM 854 CG LEU A 55 -0.556 -4.872 2.685 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.058 -4.559 2.805 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.320 -5.857 1.532 1.00 0.12 C ATOM 0 H LEU A 55 -1.351 -1.404 2.175 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.135 -2.969 4.441 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.003 -3.214 1.410 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.316 -3.821 2.400 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.227 -5.306 3.629 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.607 -5.479 3.005 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.219 -3.856 3.622 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.414 -4.120 1.873 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.883 -6.772 1.714 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.651 -5.407 0.596 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.742 -6.092 1.466 1.00 0.12 H new ATOM 868 N GLU A 56 2.277 -1.912 3.844 1.00 0.09 N ATOM 869 CA GLU A 56 3.455 -0.991 3.868 1.00 0.09 C ATOM 870 C GLU A 56 4.694 -1.796 3.464 1.00 0.09 C ATOM 871 O GLU A 56 4.815 -2.958 3.794 1.00 0.10 O ATOM 872 CB GLU A 56 3.637 -0.421 5.282 1.00 0.09 C ATOM 873 CG GLU A 56 4.694 0.693 5.267 1.00 0.11 C ATOM 874 CD GLU A 56 4.588 1.530 6.548 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.527 2.082 6.788 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.573 1.608 7.265 1.00 1.31 O ATOM 0 H GLU A 56 2.475 -2.867 4.143 1.00 0.09 H new ATOM 0 HA GLU A 56 3.305 -0.161 3.177 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.689 -0.029 5.650 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.941 -1.213 5.966 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.691 0.259 5.187 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.552 1.329 4.394 1.00 0.11 H new ATOM 883 N VAL A 57 5.607 -1.201 2.733 1.00 0.08 N ATOM 884 CA VAL A 57 6.826 -1.956 2.290 1.00 0.08 C ATOM 885 C VAL A 57 8.070 -1.066 2.366 1.00 0.09 C ATOM 886 O VAL A 57 8.034 0.112 2.057 1.00 0.14 O ATOM 887 CB VAL A 57 6.625 -2.424 0.840 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.946 -2.969 0.276 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.565 -3.526 0.800 1.00 0.09 C ATOM 0 H VAL A 57 5.563 -0.230 2.424 1.00 0.08 H new ATOM 0 HA VAL A 57 6.970 -2.813 2.948 1.00 0.08 H new ATOM 0 HB VAL A 57 6.298 -1.578 0.236 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.794 -3.298 -0.752 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.702 -2.184 0.298 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.280 -3.812 0.881 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.423 -3.857 -0.229 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.892 -4.368 1.410 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.623 -3.139 1.190 1.00 0.09 H new ATOM 899 N ASP A 58 9.181 -1.646 2.752 1.00 0.09 N ATOM 900 CA ASP A 58 10.464 -0.886 2.835 1.00 0.09 C ATOM 901 C ASP A 58 11.281 -1.200 1.576 1.00 0.10 C ATOM 902 O ASP A 58 11.890 -2.245 1.465 1.00 0.11 O ATOM 903 CB ASP A 58 11.237 -1.331 4.086 1.00 0.11 C ATOM 904 CG ASP A 58 12.258 -0.258 4.475 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.850 0.739 5.046 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.429 -0.452 4.197 1.00 1.06 O ATOM 0 H ASP A 58 9.252 -2.629 3.017 1.00 0.09 H new ATOM 0 HA ASP A 58 10.275 0.185 2.902 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.545 -1.503 4.910 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.745 -2.276 3.894 1.00 0.11 H new ATOM 911 N VAL A 59 11.275 -0.317 0.618 1.00 0.12 N ATOM 912 CA VAL A 59 12.023 -0.576 -0.647 1.00 0.15 C ATOM 913 C VAL A 59 13.518 -0.762 -0.375 1.00 0.18 C ATOM 914 O VAL A 59 14.257 -1.148 -1.255 1.00 0.27 O ATOM 915 CB VAL A 59 11.837 0.610 -1.597 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.412 0.606 -2.148 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.087 1.916 -0.840 1.00 0.22 C ATOM 0 H VAL A 59 10.784 0.576 0.655 1.00 0.12 H new ATOM 0 HA VAL A 59 11.632 -1.490 -1.094 1.00 0.15 H new ATOM 0 HB VAL A 59 12.545 0.527 -2.422 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.281 1.451 -2.824 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.234 -0.323 -2.689 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.703 0.687 -1.324 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.954 2.760 -1.517 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.381 1.999 -0.014 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.104 1.921 -0.449 1.00 0.22 H new ATOM 927 N ASP A 60 13.980 -0.477 0.817 1.00 0.16 N ATOM 928 CA ASP A 60 15.445 -0.620 1.111 1.00 0.18 C ATOM 929 C ASP A 60 15.729 -1.897 1.906 1.00 0.17 C ATOM 930 O ASP A 60 16.703 -2.581 1.660 1.00 0.18 O ATOM 931 CB ASP A 60 15.909 0.587 1.925 1.00 0.21 C ATOM 932 CG ASP A 60 15.791 1.852 1.075 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.686 2.095 0.281 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.808 2.559 1.230 1.00 1.11 O ATOM 0 H ASP A 60 13.411 -0.152 1.599 1.00 0.16 H new ATOM 0 HA ASP A 60 15.983 -0.676 0.165 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.305 0.685 2.827 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.941 0.447 2.246 1.00 0.21 H new ATOM 939 N ASP A 61 14.907 -2.219 2.869 1.00 0.17 N ATOM 940 CA ASP A 61 15.156 -3.446 3.691 1.00 0.17 C ATOM 941 C ASP A 61 14.366 -4.629 3.122 1.00 0.16 C ATOM 942 O ASP A 61 14.610 -5.765 3.473 1.00 0.18 O ATOM 943 CB ASP A 61 14.730 -3.170 5.140 1.00 0.19 C ATOM 944 CG ASP A 61 14.605 -4.488 5.915 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.623 -5.130 6.122 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.495 -4.835 6.284 1.00 1.12 O ATOM 0 H ASP A 61 14.074 -1.688 3.124 1.00 0.17 H new ATOM 0 HA ASP A 61 16.216 -3.697 3.665 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.461 -2.522 5.625 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.777 -2.641 5.152 1.00 0.19 H new ATOM 951 N ALA A 62 13.427 -4.375 2.245 1.00 0.16 N ATOM 952 CA ALA A 62 12.620 -5.486 1.643 1.00 0.16 C ATOM 953 C ALA A 62 12.802 -5.461 0.129 1.00 0.16 C ATOM 954 O ALA A 62 11.853 -5.517 -0.628 1.00 0.15 O ATOM 955 CB ALA A 62 11.147 -5.291 1.995 1.00 0.17 C ATOM 0 H ALA A 62 13.182 -3.441 1.917 1.00 0.16 H new ATOM 0 HA ALA A 62 12.953 -6.447 2.035 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.559 -6.098 1.558 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.027 -5.300 3.078 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.802 -4.335 1.600 1.00 0.17 H new ATOM 961 N GLN A 63 14.026 -5.379 -0.315 1.00 0.20 N ATOM 962 CA GLN A 63 14.296 -5.351 -1.779 1.00 0.22 C ATOM 963 C GLN A 63 13.658 -6.574 -2.442 1.00 0.20 C ATOM 964 O GLN A 63 13.530 -6.639 -3.648 1.00 0.20 O ATOM 965 CB GLN A 63 15.808 -5.374 -2.015 1.00 0.29 C ATOM 966 CG GLN A 63 16.439 -4.120 -1.407 1.00 0.90 C ATOM 967 CD GLN A 63 17.964 -4.239 -1.462 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.687 -3.159 -1.581 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 18.504 -5.326 -1.395 1.00 2.22 N flip ATOM 0 H GLN A 63 14.855 -5.330 0.277 1.00 0.20 H new ATOM 0 HA GLN A 63 13.872 -4.444 -2.210 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.243 -6.267 -1.566 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.019 -5.419 -3.083 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.113 -3.235 -1.952 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.110 -3.998 -0.375 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.940 -6.171 -1.302 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.521 -5.393 -1.432 1.00 2.22 H new ATOM 978 N ASP A 64 13.258 -7.545 -1.666 1.00 0.19 N ATOM 979 CA ASP A 64 12.633 -8.759 -2.259 1.00 0.20 C ATOM 980 C ASP A 64 11.250 -8.399 -2.804 1.00 0.17 C ATOM 981 O ASP A 64 10.872 -8.810 -3.882 1.00 0.19 O ATOM 982 CB ASP A 64 12.504 -9.842 -1.181 1.00 0.22 C ATOM 983 CG ASP A 64 12.069 -9.205 0.139 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.874 -8.502 0.730 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.939 -9.431 0.540 1.00 1.11 O ATOM 0 H ASP A 64 13.337 -7.549 -0.649 1.00 0.19 H new ATOM 0 HA ASP A 64 13.254 -9.135 -3.072 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.777 -10.593 -1.491 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.457 -10.356 -1.052 1.00 0.22 H new ATOM 990 N VAL A 65 10.497 -7.624 -2.075 1.00 0.15 N ATOM 991 CA VAL A 65 9.147 -7.232 -2.564 1.00 0.16 C ATOM 992 C VAL A 65 9.315 -6.205 -3.685 1.00 0.16 C ATOM 993 O VAL A 65 8.697 -6.298 -4.727 1.00 0.19 O ATOM 994 CB VAL A 65 8.344 -6.617 -1.416 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.880 -6.475 -1.834 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.436 -7.525 -0.186 1.00 0.18 C ATOM 0 H VAL A 65 10.757 -7.246 -1.164 1.00 0.15 H new ATOM 0 HA VAL A 65 8.615 -8.107 -2.938 1.00 0.16 H new ATOM 0 HB VAL A 65 8.750 -5.634 -1.176 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.309 -6.037 -1.016 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.813 -5.830 -2.710 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.474 -7.457 -2.075 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.864 -7.088 0.633 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.030 -8.507 -0.428 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.479 -7.627 0.114 1.00 0.18 H new ATOM 1006 N ALA A 66 10.161 -5.232 -3.480 1.00 0.16 N ATOM 1007 CA ALA A 66 10.387 -4.202 -4.531 1.00 0.18 C ATOM 1008 C ALA A 66 10.995 -4.867 -5.769 1.00 0.19 C ATOM 1009 O ALA A 66 10.726 -4.481 -6.888 1.00 0.20 O ATOM 1010 CB ALA A 66 11.349 -3.135 -4.001 1.00 0.22 C ATOM 0 H ALA A 66 10.706 -5.107 -2.627 1.00 0.16 H new ATOM 0 HA ALA A 66 9.438 -3.736 -4.796 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.515 -2.381 -4.770 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.919 -2.664 -3.117 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.299 -3.600 -3.738 1.00 0.22 H new ATOM 1016 N SER A 67 11.814 -5.867 -5.574 1.00 0.21 N ATOM 1017 CA SER A 67 12.438 -6.556 -6.737 1.00 0.26 C ATOM 1018 C SER A 67 11.347 -7.229 -7.572 1.00 0.26 C ATOM 1019 O SER A 67 11.287 -7.072 -8.776 1.00 0.29 O ATOM 1020 CB SER A 67 13.427 -7.610 -6.237 1.00 0.31 C ATOM 1021 OG SER A 67 14.601 -6.964 -5.761 1.00 1.29 O ATOM 0 H SER A 67 12.076 -6.235 -4.659 1.00 0.21 H new ATOM 0 HA SER A 67 12.968 -5.828 -7.351 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.975 -8.201 -5.440 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.679 -8.300 -7.042 1.00 0.31 H new ATOM 0 HG SER A 67 14.395 -6.477 -4.936 1.00 1.29 H new ATOM 1027 N GLU A 68 10.482 -7.973 -6.942 1.00 0.26 N ATOM 1028 CA GLU A 68 9.391 -8.653 -7.695 1.00 0.30 C ATOM 1029 C GLU A 68 8.491 -7.597 -8.342 1.00 0.31 C ATOM 1030 O GLU A 68 8.007 -7.769 -9.444 1.00 0.36 O ATOM 1031 CB GLU A 68 8.567 -9.507 -6.729 1.00 0.31 C ATOM 1032 CG GLU A 68 7.625 -10.421 -7.517 1.00 0.39 C ATOM 1033 CD GLU A 68 8.429 -11.542 -8.178 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.091 -12.272 -7.460 1.00 2.20 O ATOM 1035 OE2 GLU A 68 8.366 -11.653 -9.392 1.00 2.19 O ATOM 0 H GLU A 68 10.483 -8.140 -5.936 1.00 0.26 H new ATOM 0 HA GLU A 68 9.818 -9.290 -8.469 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.229 -10.105 -6.103 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.992 -8.865 -6.062 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.872 -10.844 -6.852 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.094 -9.845 -8.275 1.00 0.39 H new ATOM 1042 N ALA A 69 8.264 -6.502 -7.665 1.00 0.29 N ATOM 1043 CA ALA A 69 7.398 -5.427 -8.236 1.00 0.31 C ATOM 1044 C ALA A 69 8.257 -4.463 -9.062 1.00 0.29 C ATOM 1045 O ALA A 69 7.756 -3.546 -9.684 1.00 0.33 O ATOM 1046 CB ALA A 69 6.723 -4.666 -7.091 1.00 0.31 C ATOM 0 H ALA A 69 8.642 -6.305 -6.738 1.00 0.29 H new ATOM 0 HA ALA A 69 6.637 -5.869 -8.879 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.089 -3.880 -7.501 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.114 -5.355 -6.506 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.485 -4.221 -6.451 1.00 0.31 H new ATOM 1052 N GLU A 70 9.546 -4.668 -9.076 1.00 0.27 N ATOM 1053 CA GLU A 70 10.444 -3.773 -9.864 1.00 0.29 C ATOM 1054 C GLU A 70 10.096 -2.305 -9.599 1.00 0.25 C ATOM 1055 O GLU A 70 9.889 -1.532 -10.513 1.00 0.26 O ATOM 1056 CB GLU A 70 10.285 -4.074 -11.358 1.00 0.38 C ATOM 1057 CG GLU A 70 10.698 -5.521 -11.636 1.00 1.18 C ATOM 1058 CD GLU A 70 10.808 -5.741 -13.146 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.833 -5.387 -13.704 1.00 2.34 O ATOM 1060 OE2 GLU A 70 9.864 -6.262 -13.719 1.00 2.06 O ATOM 0 H GLU A 70 10.019 -5.420 -8.574 1.00 0.27 H new ATOM 0 HA GLU A 70 11.475 -3.953 -9.561 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.251 -3.915 -11.663 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.899 -3.391 -11.945 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.653 -5.736 -11.156 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.966 -6.207 -11.210 1.00 1.18 H new ATOM 1067 N VAL A 71 10.047 -1.909 -8.355 1.00 0.22 N ATOM 1068 CA VAL A 71 9.730 -0.487 -8.029 1.00 0.19 C ATOM 1069 C VAL A 71 10.987 0.361 -8.236 1.00 0.23 C ATOM 1070 O VAL A 71 12.061 0.004 -7.795 1.00 0.28 O ATOM 1071 CB VAL A 71 9.278 -0.388 -6.573 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.790 1.032 -6.291 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.136 -1.375 -6.333 1.00 0.19 C ATOM 0 H VAL A 71 10.213 -2.510 -7.548 1.00 0.22 H new ATOM 0 HA VAL A 71 8.932 -0.126 -8.678 1.00 0.19 H new ATOM 0 HB VAL A 71 10.112 -0.625 -5.912 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.467 1.106 -5.253 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.601 1.738 -6.470 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.953 1.267 -6.949 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.810 -1.308 -5.295 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.302 -1.134 -6.992 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.481 -2.388 -6.541 1.00 0.19 H new ATOM 1083 N LYS A 72 10.862 1.478 -8.913 1.00 0.24 N ATOM 1084 CA LYS A 72 12.050 2.358 -9.168 1.00 0.29 C ATOM 1085 C LYS A 72 11.736 3.791 -8.728 1.00 0.26 C ATOM 1086 O LYS A 72 12.510 4.700 -8.952 1.00 0.27 O ATOM 1087 CB LYS A 72 12.371 2.349 -10.665 1.00 0.35 C ATOM 1088 CG LYS A 72 12.802 0.942 -11.086 1.00 0.43 C ATOM 1089 CD LYS A 72 13.131 0.933 -12.581 1.00 1.16 C ATOM 1090 CE LYS A 72 13.682 -0.438 -12.977 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.776 -1.505 -12.464 1.00 2.40 N ATOM 0 H LYS A 72 9.984 1.821 -9.302 1.00 0.24 H new ATOM 0 HA LYS A 72 12.904 1.985 -8.603 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.497 2.660 -11.237 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.164 3.064 -10.882 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.673 0.629 -10.510 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.006 0.228 -10.874 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.237 1.158 -13.162 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.862 1.709 -12.807 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.767 -0.508 -14.061 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.684 -0.570 -12.570 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.951 -2.389 -12.984 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.957 -1.657 -11.451 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 11.786 -1.215 -12.599 1.00 2.40 H new ATOM 1105 N ALA A 73 10.610 4.004 -8.104 1.00 0.22 N ATOM 1106 CA ALA A 73 10.253 5.388 -7.649 1.00 0.20 C ATOM 1107 C ALA A 73 9.334 5.289 -6.438 1.00 0.18 C ATOM 1108 O ALA A 73 8.433 4.487 -6.422 1.00 0.16 O ATOM 1109 CB ALA A 73 9.537 6.136 -8.795 1.00 0.21 C ATOM 0 H ALA A 73 9.920 3.285 -7.888 1.00 0.22 H new ATOM 0 HA ALA A 73 11.155 5.936 -7.376 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.277 7.142 -8.466 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.199 6.196 -9.659 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.630 5.598 -9.070 1.00 0.21 H new ATOM 1115 N THR A 74 9.538 6.109 -5.431 1.00 0.18 N ATOM 1116 CA THR A 74 8.643 6.063 -4.227 1.00 0.17 C ATOM 1117 C THR A 74 8.003 7.448 -4.025 1.00 0.17 C ATOM 1118 O THR A 74 8.622 8.447 -4.339 1.00 0.19 O ATOM 1119 CB THR A 74 9.460 5.709 -2.969 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.488 6.661 -2.786 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.086 4.314 -3.103 1.00 0.19 C ATOM 0 H THR A 74 10.282 6.805 -5.391 1.00 0.18 H new ATOM 0 HA THR A 74 7.875 5.306 -4.384 1.00 0.17 H new ATOM 0 HB THR A 74 8.789 5.715 -2.110 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.910 6.523 -1.912 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.658 4.084 -2.204 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.298 3.572 -3.231 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.747 4.294 -3.969 1.00 0.19 H new ATOM 1129 N PRO A 75 6.803 7.494 -3.472 1.00 0.17 N ATOM 1130 CA PRO A 75 6.012 6.304 -3.072 1.00 0.16 C ATOM 1131 C PRO A 75 5.386 5.640 -4.303 1.00 0.14 C ATOM 1132 O PRO A 75 5.030 6.300 -5.260 1.00 0.14 O ATOM 1133 CB PRO A 75 4.909 6.863 -2.150 1.00 0.17 C ATOM 1134 CG PRO A 75 4.935 8.411 -2.295 1.00 0.20 C ATOM 1135 CD PRO A 75 6.158 8.780 -3.164 1.00 0.19 C ATOM 0 HA PRO A 75 6.623 5.547 -2.580 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.934 6.466 -2.431 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.086 6.570 -1.115 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.015 8.767 -2.758 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.004 8.886 -1.316 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.855 9.298 -4.074 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.837 9.445 -2.630 1.00 0.19 H new ATOM 1143 N THR A 76 5.231 4.339 -4.264 1.00 0.13 N ATOM 1144 CA THR A 76 4.596 3.612 -5.411 1.00 0.12 C ATOM 1145 C THR A 76 3.325 2.964 -4.886 1.00 0.12 C ATOM 1146 O THR A 76 3.373 2.091 -4.040 1.00 0.18 O ATOM 1147 CB THR A 76 5.530 2.509 -5.949 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.867 2.965 -5.906 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.156 2.172 -7.392 1.00 0.13 C ATOM 0 H THR A 76 5.518 3.746 -3.485 1.00 0.13 H new ATOM 0 HA THR A 76 4.390 4.311 -6.222 1.00 0.12 H new ATOM 0 HB THR A 76 5.426 1.616 -5.332 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.919 3.862 -6.296 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.819 1.392 -7.767 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.125 1.820 -7.428 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.257 3.063 -8.012 1.00 0.13 H new ATOM 1157 N PHE A 77 2.189 3.368 -5.374 1.00 0.09 N ATOM 1158 CA PHE A 77 0.924 2.752 -4.892 1.00 0.09 C ATOM 1159 C PHE A 77 0.564 1.604 -5.815 1.00 0.09 C ATOM 1160 O PHE A 77 0.400 1.773 -7.006 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.200 3.786 -4.882 1.00 0.10 C ATOM 1162 CG PHE A 77 0.094 4.801 -3.812 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.127 4.466 -2.466 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.599 6.070 -4.152 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.154 5.402 -1.454 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.879 7.009 -3.142 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.659 6.676 -1.792 1.00 0.12 C ATOM 0 H PHE A 77 2.081 4.094 -6.082 1.00 0.09 H new ATOM 0 HA PHE A 77 1.059 2.385 -3.875 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.276 4.272 -5.855 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.158 3.302 -4.692 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.512 3.491 -2.208 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.772 6.323 -5.188 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.017 5.146 -0.419 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.262 7.984 -3.402 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.876 7.395 -1.016 1.00 0.12 H new ATOM 1177 N GLN A 78 0.447 0.433 -5.262 1.00 0.07 N ATOM 1178 CA GLN A 78 0.102 -0.768 -6.066 1.00 0.07 C ATOM 1179 C GLN A 78 -1.203 -1.329 -5.519 1.00 0.06 C ATOM 1180 O GLN A 78 -1.417 -1.366 -4.324 1.00 0.07 O ATOM 1181 CB GLN A 78 1.226 -1.800 -5.925 1.00 0.08 C ATOM 1182 CG GLN A 78 2.578 -1.103 -6.063 1.00 0.12 C ATOM 1183 CD GLN A 78 3.678 -2.143 -6.300 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.840 -1.798 -6.403 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.365 -3.407 -6.388 1.00 1.03 N ATOM 0 H GLN A 78 0.579 0.254 -4.266 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.013 -0.520 -7.121 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.158 -2.297 -4.957 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.123 -2.572 -6.688 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.549 -0.396 -6.892 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.795 -0.530 -5.162 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.391 -3.698 -6.302 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.094 -4.103 -6.543 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.092 -1.732 -6.387 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.412 -2.261 -5.932 1.00 0.07 C ATOM 1196 C PHE A 79 -3.504 -3.750 -6.221 1.00 0.07 C ATOM 1197 O PHE A 79 -3.284 -4.197 -7.329 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.526 -1.521 -6.676 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.500 -0.069 -6.261 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.459 0.754 -6.701 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.497 0.448 -5.422 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.408 2.105 -6.311 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.451 1.795 -5.021 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.407 2.623 -5.465 1.00 0.11 C ATOM 0 H PHE A 79 -1.960 -1.718 -7.398 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.517 -2.106 -4.858 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.385 -1.609 -7.753 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.495 -1.964 -6.444 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.690 0.351 -7.343 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.301 -0.189 -5.083 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.607 2.741 -6.659 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.218 2.192 -4.372 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.371 3.658 -5.157 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.838 -4.519 -5.219 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.967 -5.992 -5.391 1.00 0.08 C ATOM 1216 C PHE A 80 -5.343 -6.421 -4.896 1.00 0.11 C ATOM 1217 O PHE A 80 -5.973 -5.746 -4.105 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.890 -6.705 -4.570 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.531 -6.488 -5.201 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.140 -7.260 -6.312 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.652 -5.523 -4.671 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.129 -7.066 -6.891 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.614 -5.331 -5.253 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.005 -6.103 -6.360 1.00 0.14 C ATOM 0 H PHE A 80 -4.029 -4.182 -4.276 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.846 -6.253 -6.442 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.890 -6.327 -3.548 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.109 -7.771 -4.515 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.813 -8.000 -6.720 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.950 -4.931 -3.818 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.429 -7.657 -7.743 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.287 -4.589 -4.848 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.979 -5.957 -6.803 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.816 -7.539 -5.356 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.150 -8.028 -4.921 1.00 0.14 C ATOM 1236 C LYS A 81 -7.162 -9.543 -5.102 1.00 0.14 C ATOM 1237 O LYS A 81 -6.895 -10.043 -6.177 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.239 -7.365 -5.782 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.594 -7.416 -5.066 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.606 -6.551 -5.827 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.932 -6.525 -5.065 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.531 -7.889 -5.060 1.00 1.48 N ATOM 0 H LYS A 81 -5.332 -8.142 -6.021 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.345 -7.778 -3.878 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.968 -6.329 -5.987 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.310 -7.873 -6.744 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.949 -8.445 -5.009 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.490 -7.057 -4.042 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.221 -5.538 -5.942 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.759 -6.949 -6.830 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.769 -6.184 -4.042 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.617 -5.817 -5.531 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.568 -7.813 -5.045 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.234 -8.402 -5.915 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.209 -8.406 -4.217 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.439 -10.277 -4.059 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.441 -11.762 -4.169 1.00 0.20 C ATOM 1258 C LYS A 82 -6.081 -12.249 -4.687 1.00 0.20 C ATOM 1259 O LYS A 82 -5.980 -13.287 -5.309 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.553 -12.212 -5.132 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.900 -12.215 -4.404 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.027 -12.522 -5.400 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.201 -11.364 -6.400 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.617 -11.325 -6.863 1.00 1.67 N ATOM 0 H LYS A 82 -7.664 -9.911 -3.134 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.623 -12.191 -3.184 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.595 -11.543 -5.991 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.334 -13.209 -5.515 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.892 -12.960 -3.608 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.072 -11.247 -3.933 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.802 -13.443 -5.938 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.960 -12.687 -4.861 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.934 -10.418 -5.929 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.532 -11.498 -7.250 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.740 -10.544 -7.539 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.856 -12.225 -7.326 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.245 -11.179 -6.047 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.034 -11.518 -4.419 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.682 -11.953 -4.881 1.00 0.21 C ATOM 1280 C GLY A 83 -3.468 -11.561 -6.344 1.00 0.19 C ATOM 1281 O GLY A 83 -2.493 -11.952 -6.956 1.00 0.22 O ATOM 0 H GLY A 83 -5.054 -10.640 -3.901 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.913 -11.495 -4.259 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.582 -13.033 -4.769 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.369 -10.796 -6.912 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.220 -10.378 -8.349 1.00 0.17 C ATOM 1287 C GLN A 84 -4.034 -8.859 -8.440 1.00 0.16 C ATOM 1288 O GLN A 84 -4.582 -8.109 -7.659 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.479 -10.778 -9.115 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.692 -12.287 -8.979 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.038 -12.670 -9.594 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -8.082 -11.923 -9.361 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -7.141 -13.659 -10.291 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.203 -10.441 -6.445 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.347 -10.869 -8.778 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.343 -10.240 -8.725 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.382 -10.506 -10.166 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.886 -12.825 -9.478 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.665 -12.575 -7.928 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -6.324 -14.242 -10.473 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.044 -13.906 -10.695 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.265 -8.404 -9.398 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.036 -6.934 -9.555 1.00 0.17 C ATOM 1304 C LYS A 85 -4.166 -6.335 -10.395 1.00 0.16 C ATOM 1305 O LYS A 85 -4.623 -6.937 -11.346 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.696 -6.699 -10.262 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.507 -5.199 -10.528 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.028 -4.900 -10.804 1.00 0.30 C ATOM 1309 CE LYS A 85 0.446 -5.689 -12.031 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.754 -7.091 -11.631 1.00 1.70 N ATOM 0 H LYS A 85 -2.784 -8.990 -10.081 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.017 -6.459 -8.574 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.878 -7.075 -9.647 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.668 -7.251 -11.201 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.114 -4.893 -11.380 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.849 -4.622 -9.669 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.110 -3.832 -10.972 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.574 -5.166 -9.935 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.324 -5.680 -12.802 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.331 -5.219 -12.459 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.622 -7.406 -12.110 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.891 -7.136 -10.601 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.036 -7.711 -11.903 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.627 -5.155 -10.046 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.741 -4.509 -10.815 1.00 0.16 C ATOM 1326 C VAL A 86 -5.337 -3.093 -11.249 1.00 0.18 C ATOM 1327 O VAL A 86 -5.910 -2.538 -12.166 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.989 -4.435 -9.931 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.526 -5.846 -9.685 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.634 -3.787 -8.591 1.00 0.17 C ATOM 0 H VAL A 86 -4.278 -4.610 -9.258 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.951 -5.104 -11.704 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.750 -3.837 -10.433 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.414 -5.793 -9.056 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.784 -6.309 -10.638 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.763 -6.444 -9.186 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.524 -3.736 -7.964 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.871 -4.383 -8.090 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.253 -2.780 -8.763 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.363 -2.497 -10.609 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.953 -1.117 -11.014 1.00 0.18 C ATOM 1342 C GLY A 87 -2.737 -0.661 -10.200 1.00 0.10 C ATOM 1343 O GLY A 87 -2.299 -1.334 -9.288 1.00 0.08 O ATOM 0 H GLY A 87 -3.839 -2.900 -9.832 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.714 -1.099 -12.077 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.781 -0.425 -10.861 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.189 0.485 -10.527 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.000 0.990 -9.776 1.00 0.10 C ATOM 1349 C GLU A 88 -0.638 2.398 -10.245 1.00 0.10 C ATOM 1350 O GLU A 88 -0.902 2.782 -11.366 1.00 0.11 O ATOM 1351 CB GLU A 88 0.188 0.057 -10.015 1.00 0.17 C ATOM 1352 CG GLU A 88 0.284 -0.274 -11.505 1.00 0.25 C ATOM 1353 CD GLU A 88 1.527 -1.129 -11.758 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.182 -1.490 -10.794 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.804 -1.409 -12.914 1.00 2.04 O ATOM 0 H GLU A 88 -2.514 1.090 -11.281 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.240 1.019 -8.713 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.110 0.530 -9.676 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.068 -0.858 -9.435 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.610 -0.808 -11.828 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.336 0.644 -12.090 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.015 3.167 -9.389 1.00 0.09 N ATOM 1363 CA PHE A 89 0.390 4.547 -9.782 1.00 0.09 C ATOM 1364 C PHE A 89 1.311 5.147 -8.713 1.00 0.09 C ATOM 1365 O PHE A 89 1.055 5.050 -7.535 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.850 5.440 -9.989 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.439 5.894 -8.664 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.800 6.901 -7.910 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.635 5.320 -8.193 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.357 7.327 -6.692 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.189 5.750 -6.974 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.554 6.754 -6.224 1.00 0.11 C ATOM 0 H PHE A 89 0.230 2.898 -8.436 1.00 0.09 H new ATOM 0 HA PHE A 89 0.933 4.496 -10.726 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.576 6.311 -10.584 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.604 4.892 -10.554 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.117 7.344 -8.269 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.127 4.549 -8.768 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.865 8.096 -6.114 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.106 5.307 -6.613 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.984 7.085 -5.290 1.00 0.11 H new ATOM 1382 N SER A 90 2.382 5.775 -9.125 1.00 0.13 N ATOM 1383 CA SER A 90 3.333 6.400 -8.146 1.00 0.14 C ATOM 1384 C SER A 90 3.164 7.922 -8.198 1.00 0.14 C ATOM 1385 O SER A 90 2.239 8.432 -8.797 1.00 0.17 O ATOM 1386 CB SER A 90 4.762 6.031 -8.540 1.00 0.15 C ATOM 1387 OG SER A 90 5.193 6.886 -9.593 1.00 0.16 O ATOM 0 H SER A 90 2.644 5.884 -10.105 1.00 0.13 H new ATOM 0 HA SER A 90 3.128 6.042 -7.137 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.426 6.129 -7.681 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.806 4.990 -8.860 1.00 0.15 H new ATOM 0 HG SER A 90 5.709 7.631 -9.219 1.00 0.16 H new ATOM 1393 N GLY A 91 4.052 8.654 -7.576 1.00 0.12 N ATOM 1394 CA GLY A 91 3.946 10.147 -7.593 1.00 0.13 C ATOM 1395 C GLY A 91 3.147 10.624 -6.378 1.00 0.13 C ATOM 1396 O GLY A 91 2.065 10.143 -6.106 1.00 0.13 O ATOM 0 H GLY A 91 4.847 8.283 -7.056 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.941 10.591 -7.583 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.460 10.476 -8.511 1.00 0.13 H new ATOM 1400 N ALA A 92 3.676 11.567 -5.643 1.00 0.15 N ATOM 1401 CA ALA A 92 2.946 12.074 -4.442 1.00 0.17 C ATOM 1402 C ALA A 92 1.532 12.518 -4.828 1.00 0.15 C ATOM 1403 O ALA A 92 1.309 13.656 -5.186 1.00 0.16 O ATOM 1404 CB ALA A 92 3.706 13.273 -3.851 1.00 0.20 C ATOM 0 H ALA A 92 4.579 12.007 -5.821 1.00 0.15 H new ATOM 0 HA ALA A 92 2.881 11.273 -3.706 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.175 13.644 -2.975 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.710 12.961 -3.562 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.773 14.065 -4.597 1.00 0.20 H new ATOM 1410 N ASN A 93 0.572 11.636 -4.733 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.837 12.010 -5.067 1.00 0.13 C ATOM 1412 C ASN A 93 -1.774 11.354 -4.053 1.00 0.12 C ATOM 1413 O ASN A 93 -2.449 10.388 -4.345 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.183 11.532 -6.479 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.432 12.268 -6.966 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.400 12.390 -6.242 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.450 12.769 -8.168 1.00 1.15 N ATOM 0 H ASN A 93 0.702 10.669 -4.437 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.950 13.093 -5.028 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.349 11.720 -7.154 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.357 10.456 -6.479 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.277 13.264 -8.502 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.637 12.666 -8.776 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.808 11.872 -2.857 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.687 11.283 -1.807 1.00 0.20 C ATOM 1426 C LYS A 94 -4.158 11.446 -2.193 1.00 0.18 C ATOM 1427 O LYS A 94 -4.986 10.620 -1.866 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.432 11.996 -0.472 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.370 13.532 -0.683 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.907 14.013 -0.742 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.364 14.211 0.677 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.081 14.574 0.610 1.00 1.19 N ATOM 0 H LYS A 94 -1.263 12.681 -2.560 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.461 10.221 -1.711 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.224 11.751 0.236 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.496 11.644 -0.037 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.884 13.799 -1.607 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.892 14.037 0.129 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.297 13.284 -1.275 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.845 14.948 -1.298 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.924 14.996 1.186 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.494 13.298 1.258 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.534 14.365 1.522 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.543 14.022 -0.141 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.175 15.589 0.401 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.498 12.503 -2.873 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.920 12.705 -3.256 1.00 0.20 C ATOM 1448 C GLU A 95 -6.337 11.633 -4.265 1.00 0.17 C ATOM 1449 O GLU A 95 -7.480 11.225 -4.318 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.080 14.089 -3.884 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.795 15.163 -2.833 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.081 16.546 -3.421 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.374 16.617 -4.603 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.003 17.511 -2.679 1.00 1.95 O ATOM 0 H GLU A 95 -3.855 13.233 -3.179 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.551 12.630 -2.371 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.397 14.199 -4.726 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.090 14.208 -4.276 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.414 14.997 -1.951 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.756 15.102 -2.509 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.418 11.171 -5.066 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.756 10.127 -6.073 1.00 0.14 C ATOM 1463 C LYS A 96 -6.103 8.823 -5.351 1.00 0.12 C ATOM 1464 O LYS A 96 -6.943 8.068 -5.799 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.562 9.910 -7.013 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.809 8.686 -7.907 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.742 8.616 -9.019 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.205 9.408 -10.246 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.142 9.366 -11.291 1.00 2.05 N ATOM 0 H LYS A 96 -4.444 11.473 -5.067 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.614 10.449 -6.663 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.409 10.796 -7.630 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.652 9.767 -6.430 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.780 7.776 -7.307 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.803 8.744 -8.350 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.797 9.018 -8.653 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.561 7.577 -9.295 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.131 8.987 -10.636 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.417 10.440 -9.968 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.454 9.903 -12.125 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.269 9.787 -10.915 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.961 8.379 -11.563 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.477 8.548 -4.235 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.800 7.286 -3.504 1.00 0.11 C ATOM 1485 C LEU A 97 -7.317 7.198 -3.329 1.00 0.11 C ATOM 1486 O LEU A 97 -7.900 6.132 -3.365 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.140 7.301 -2.114 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.662 6.908 -2.212 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -3.006 7.156 -0.849 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.524 5.417 -2.613 1.00 0.13 C ATOM 0 H LEU A 97 -4.764 9.135 -3.802 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.429 6.432 -4.070 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.229 8.294 -1.674 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.662 6.611 -1.451 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.169 7.507 -2.977 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.952 6.882 -0.897 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.095 8.211 -0.589 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.503 6.552 -0.090 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.468 5.154 -2.678 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -4.008 4.792 -1.862 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.999 5.255 -3.581 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.952 8.316 -3.129 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.432 8.310 -2.936 1.00 0.14 C ATOM 1504 C GLU A 98 -10.124 7.884 -4.235 1.00 0.13 C ATOM 1505 O GLU A 98 -10.880 6.934 -4.267 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.898 9.717 -2.551 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.370 9.672 -2.132 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.796 11.048 -1.618 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.614 11.301 -0.439 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.297 11.826 -2.413 1.00 2.15 O ATOM 0 H GLU A 98 -7.513 9.236 -3.090 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.689 7.606 -2.144 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.288 10.102 -1.734 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.769 10.397 -3.393 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.991 9.380 -2.979 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.515 8.921 -1.356 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.880 8.595 -5.302 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.529 8.254 -6.599 1.00 0.14 C ATOM 1519 C ALA A 99 -10.154 6.835 -7.041 1.00 0.12 C ATOM 1520 O ALA A 99 -10.974 6.112 -7.560 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.075 9.248 -7.669 1.00 0.15 C ATOM 0 H ALA A 99 -9.256 9.401 -5.331 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.610 8.306 -6.469 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.548 9.001 -8.619 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.361 10.257 -7.373 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.992 9.195 -7.779 1.00 0.15 H new ATOM 1527 N THR A 100 -8.923 6.440 -6.861 1.00 0.11 N ATOM 1528 CA THR A 100 -8.506 5.074 -7.302 1.00 0.11 C ATOM 1529 C THR A 100 -9.207 4.003 -6.462 1.00 0.10 C ATOM 1530 O THR A 100 -9.718 3.032 -6.983 1.00 0.11 O ATOM 1531 CB THR A 100 -6.990 4.929 -7.152 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.344 5.955 -7.891 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.555 3.563 -7.683 1.00 0.12 C ATOM 0 H THR A 100 -8.188 7.001 -6.429 1.00 0.11 H new ATOM 0 HA THR A 100 -8.788 4.941 -8.347 1.00 0.11 H new ATOM 0 HB THR A 100 -6.716 5.012 -6.100 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.373 5.864 -7.797 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.475 3.458 -7.577 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.053 2.777 -7.116 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.826 3.479 -8.735 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.233 4.166 -5.171 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.902 3.148 -4.307 1.00 0.11 C ATOM 1543 C ILE A 101 -11.388 3.084 -4.665 1.00 0.13 C ATOM 1544 O ILE A 101 -11.930 2.024 -4.897 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.731 3.537 -2.825 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.258 3.327 -2.418 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.644 2.658 -1.953 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.950 4.059 -1.101 1.00 0.18 C ATOM 0 H ILE A 101 -8.822 4.957 -4.674 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.450 2.170 -4.470 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.004 4.583 -2.683 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.055 2.262 -2.304 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.601 3.694 -3.207 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.522 2.934 -0.906 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.683 2.806 -2.249 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.375 1.610 -2.086 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.906 3.899 -0.831 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.132 5.126 -1.227 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.593 3.672 -0.311 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.052 4.206 -4.709 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.505 4.197 -5.046 1.00 0.17 C ATOM 1562 C ASN A 102 -13.704 3.622 -6.449 1.00 0.18 C ATOM 1563 O ASN A 102 -14.789 3.220 -6.819 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.045 5.628 -4.999 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.567 5.603 -5.156 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.267 5.059 -4.326 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.112 6.175 -6.196 1.00 1.03 N ATOM 0 H ASN A 102 -11.653 5.127 -4.527 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.041 3.580 -4.325 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.774 6.100 -4.055 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.596 6.224 -5.794 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.125 6.165 -6.311 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.524 6.632 -6.893 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.665 3.589 -7.237 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.790 3.051 -8.621 1.00 0.18 C ATOM 1576 C GLU A 103 -12.817 1.518 -8.591 1.00 0.19 C ATOM 1577 O GLU A 103 -13.760 0.891 -9.031 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.587 3.519 -9.452 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.918 3.432 -10.946 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.939 4.512 -11.311 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -13.081 5.449 -10.542 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.560 4.385 -12.353 1.00 2.01 O ATOM 0 H GLU A 103 -11.732 3.912 -6.981 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.717 3.415 -9.065 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.328 4.544 -9.187 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.717 2.902 -9.227 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.011 3.560 -11.537 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.317 2.446 -11.183 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.770 0.916 -8.096 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.695 -0.576 -8.054 1.00 0.19 C ATOM 1591 C LEU A 104 -12.236 -1.102 -6.721 1.00 0.19 C ATOM 1592 O LEU A 104 -11.930 -2.204 -6.311 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.232 -0.998 -8.226 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.668 -0.404 -9.527 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.152 -0.618 -9.567 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.312 -1.086 -10.745 1.00 0.35 C ATOM 0 H LEU A 104 -10.955 1.397 -7.715 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.302 -0.994 -8.857 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.643 -0.657 -7.375 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.158 -2.085 -8.250 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.892 0.662 -9.558 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.749 -0.198 -10.489 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.692 -0.124 -8.711 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.934 -1.685 -9.529 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.904 -0.657 -11.660 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.098 -2.155 -10.719 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.391 -0.931 -10.721 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.048 -0.335 -6.045 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.610 -0.813 -4.749 1.00 0.22 C ATOM 1610 C VAL A 105 -14.488 -2.042 -5.004 1.00 0.26 C ATOM 1611 O VAL A 105 -15.137 -2.075 -6.036 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.452 0.295 -4.109 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.541 0.739 -5.087 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.103 -0.231 -2.826 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.494 -2.926 -4.165 1.00 1.18 O ATOM 0 H VAL A 105 -13.345 0.597 -6.332 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.795 -1.077 -4.075 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.811 1.143 -3.869 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.140 1.527 -4.631 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.079 1.116 -5.999 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.181 -0.109 -5.328 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.702 0.558 -2.372 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.743 -1.080 -3.065 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.328 -0.546 -2.127 1.00 0.27 H new ATOM 1692 N ARG B 4 18.239 3.260 -1.941 1.00 0.00 N ATOM 1693 CA ARG B 4 17.922 2.544 -3.212 1.00 0.00 C ATOM 1694 C ARG B 4 17.788 3.572 -4.348 1.00 0.00 C ATOM 1695 O ARG B 4 18.780 4.059 -4.856 1.00 0.00 O ATOM 1696 CB ARG B 4 16.613 1.738 -3.020 1.00 0.00 C ATOM 1697 CG ARG B 4 16.925 0.251 -2.799 1.00 0.00 C ATOM 1698 CD ARG B 4 17.218 -0.434 -4.141 1.00 0.00 C ATOM 1699 NE ARG B 4 17.330 -1.899 -3.921 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.297 -2.720 -4.934 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.162 -2.256 -6.147 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.397 -4.006 -4.735 1.00 0.00 N ATOM 0 HA ARG B 4 18.719 1.849 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.059 2.130 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.975 1.856 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.783 0.147 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.081 -0.236 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.422 -0.220 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.142 -0.046 -4.568 1.00 0.00 H new ATOM 0 HE ARG B 4 17.433 -2.264 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.082 -1.251 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.136 -2.898 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.501 -4.369 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.371 -4.648 -5.527 1.00 0.00 H new ATOM 1716 N TYR B 5 16.583 3.904 -4.757 1.00 0.00 N ATOM 1717 CA TYR B 5 16.396 4.895 -5.868 1.00 0.00 C ATOM 1718 C TYR B 5 15.817 6.211 -5.330 1.00 0.00 C ATOM 1719 O TYR B 5 15.816 6.465 -4.142 1.00 0.00 O ATOM 1720 CB TYR B 5 15.501 4.292 -6.965 1.00 0.00 C ATOM 1721 CG TYR B 5 14.409 3.437 -6.369 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.662 2.092 -6.046 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.133 3.975 -6.171 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.637 1.290 -5.515 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.103 3.175 -5.647 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.356 1.832 -5.314 1.00 0.00 C ATOM 1727 OH TYR B 5 11.344 1.047 -4.794 1.00 0.00 O ATOM 0 H TYR B 5 15.718 3.529 -4.367 1.00 0.00 H new ATOM 0 HA TYR B 5 17.367 5.122 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.058 5.092 -7.557 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.107 3.692 -7.644 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.645 1.675 -6.206 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.939 5.007 -6.421 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.834 0.259 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.117 3.591 -5.500 1.00 0.00 H new ATOM 0 HH TYR B 5 11.685 0.144 -4.623 1.00 0.00 H new ATOM 1737 N VAL B 6 15.390 7.075 -6.212 1.00 0.00 N ATOM 1738 CA VAL B 6 14.883 8.419 -5.789 1.00 0.00 C ATOM 1739 C VAL B 6 13.469 8.366 -5.207 1.00 0.00 C ATOM 1740 O VAL B 6 12.643 7.565 -5.597 1.00 0.00 O ATOM 1741 CB VAL B 6 14.857 9.344 -7.014 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.857 10.804 -6.561 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.080 9.080 -7.883 1.00 0.00 C ATOM 0 H VAL B 6 15.370 6.908 -7.218 1.00 0.00 H new ATOM 0 HA VAL B 6 15.553 8.785 -5.011 1.00 0.00 H new ATOM 0 HB VAL B 6 13.954 9.146 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.839 11.456 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.977 10.995 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.756 11.004 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.058 9.738 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.985 9.271 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.073 8.042 -8.215 1.00 0.00 H new ATOM 1753 N CYS B 7 13.182 9.276 -4.304 1.00 0.00 N ATOM 1754 CA CYS B 7 11.817 9.367 -3.708 1.00 0.00 C ATOM 1755 C CYS B 7 11.078 10.521 -4.383 1.00 0.00 C ATOM 1756 O CYS B 7 11.246 11.669 -4.024 1.00 0.00 O ATOM 1757 CB CYS B 7 11.907 9.634 -2.201 1.00 0.00 C ATOM 1758 SG CYS B 7 13.228 8.643 -1.463 1.00 0.00 S ATOM 0 H CYS B 7 13.846 9.966 -3.953 1.00 0.00 H new ATOM 0 HA CYS B 7 11.287 8.427 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.095 10.693 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.956 9.395 -1.725 1.00 0.00 H new ATOM 1763 N GLU B 8 10.273 10.235 -5.368 1.00 0.00 N ATOM 1764 CA GLU B 8 9.544 11.331 -6.069 1.00 0.00 C ATOM 1765 C GLU B 8 8.270 11.699 -5.307 1.00 0.00 C ATOM 1766 O GLU B 8 7.215 11.909 -5.885 1.00 0.00 O ATOM 1767 CB GLU B 8 9.186 10.883 -7.486 1.00 0.00 C ATOM 1768 CG GLU B 8 8.718 9.426 -7.456 1.00 0.00 C ATOM 1769 CD GLU B 8 8.003 9.087 -8.765 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.619 9.229 -9.807 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.850 8.691 -8.703 1.00 0.00 O ATOM 0 H GLU B 8 10.088 9.295 -5.717 1.00 0.00 H new ATOM 0 HA GLU B 8 10.189 12.209 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.401 11.520 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.051 10.985 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.571 8.763 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.047 9.267 -6.612 1.00 0.00 H new ATOM 1778 N GLY B 9 8.359 11.816 -4.018 1.00 0.00 N ATOM 1779 CA GLY B 9 7.160 12.213 -3.237 1.00 0.00 C ATOM 1780 C GLY B 9 6.894 13.700 -3.550 1.00 0.00 C ATOM 1781 O GLY B 9 7.007 14.087 -4.698 1.00 0.00 O ATOM 0 H GLY B 9 9.205 11.655 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.301 11.601 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.328 12.067 -2.170 1.00 0.00 H new ATOM 1785 N PRO B 10 6.581 14.512 -2.557 1.00 0.00 N ATOM 1786 CA PRO B 10 6.359 15.952 -2.798 1.00 0.00 C ATOM 1787 C PRO B 10 7.692 16.603 -3.209 1.00 0.00 C ATOM 1788 O PRO B 10 7.923 17.771 -2.971 1.00 0.00 O ATOM 1789 CB PRO B 10 5.857 16.512 -1.445 1.00 0.00 C ATOM 1790 CG PRO B 10 5.889 15.342 -0.417 1.00 0.00 C ATOM 1791 CD PRO B 10 6.403 14.087 -1.157 1.00 0.00 C ATOM 0 HA PRO B 10 5.643 16.149 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.490 17.334 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.846 16.908 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.541 15.586 0.422 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.895 15.165 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.342 13.734 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.690 13.266 -1.082 1.00 0.00 H new ATOM 1799 N SER B 11 8.570 15.845 -3.816 1.00 0.00 N ATOM 1800 CA SER B 11 9.891 16.394 -4.231 1.00 0.00 C ATOM 1801 C SER B 11 9.787 16.977 -5.642 1.00 0.00 C ATOM 1802 O SER B 11 10.473 17.920 -5.986 1.00 0.00 O ATOM 1803 CB SER B 11 10.925 15.262 -4.218 1.00 0.00 C ATOM 1804 OG SER B 11 12.229 15.818 -4.317 1.00 0.00 O ATOM 0 H SER B 11 8.424 14.861 -4.042 1.00 0.00 H new ATOM 0 HA SER B 11 10.195 17.182 -3.542 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.833 14.680 -3.301 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.744 14.579 -5.048 1.00 0.00 H new ATOM 0 HG SER B 11 12.893 15.098 -4.307 1.00 0.00 H new