USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 ASN : amide:sc= -0.927 K(o=-0.99,f=-3.2!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0594 K(o=-0.99,f=-4.8!) USER MOD Set 2.1: A 23 THR OG1 : rot 150:sc= 0 USER MOD Set 2.2: A 56 ASN :FLIP amide:sc= -0.672 F(o=-1.3,f=-0.67) USER MOD Set 3.1: A 10 THR OG1 : rot 34:sc= 0.156 USER MOD Set 3.2: A 14 ASN : amide:sc= -0.22 X(o=-0.064,f=0.14) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.164 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-7.13e-05 K(o=-7.1e-05,f=-0.65) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 THR OG1 : rot 44:sc= 0.285 USER MOD Single : A 49 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.27) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -0.609 K(o=-0.61,f=-7.3!) USER MOD Single : A 70 ASN : amide:sc= -0.263 K(o=-0.26,f=-5.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 75 SER OG : rot -116:sc= -0.411 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.66 F(o=-3,f=-1.7) USER MOD Single : A 93 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.013) USER MOD Single : A 94 HIS : no HD1:sc= 0.0243 X(o=0.024,f=-0.41) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.574 -7.521 -36.731 1.00 0.00 N ATOM 2 CA GLY A 1 -13.016 -6.179 -37.009 1.00 0.00 C ATOM 3 C GLY A 1 -12.328 -5.582 -35.788 1.00 0.00 C ATOM 4 O GLY A 1 -11.185 -5.949 -35.477 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.033 -7.890 -37.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.808 -8.163 -36.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.274 -7.454 -35.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.302 -6.246 -37.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.816 -5.514 -37.335 1.00 0.00 H new ATOM 10 N ASP A 2 -13.028 -4.676 -35.084 1.00 0.00 N ATOM 11 CA ASP A 2 -12.494 -3.985 -33.896 1.00 0.00 C ATOM 12 C ASP A 2 -13.637 -3.626 -32.935 1.00 0.00 C ATOM 13 O ASP A 2 -14.679 -3.109 -33.359 1.00 0.00 O ATOM 14 CB ASP A 2 -11.715 -2.706 -34.312 1.00 0.00 C ATOM 15 CG ASP A 2 -11.107 -1.952 -33.113 1.00 0.00 C ATOM 16 OD1 ASP A 2 -9.981 -2.292 -32.691 1.00 0.00 O ATOM 17 OD2 ASP A 2 -11.754 -1.024 -32.580 1.00 0.00 O ATOM 0 H ASP A 2 -13.981 -4.401 -35.322 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.803 -4.656 -33.385 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.918 -2.982 -35.002 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.387 -2.038 -34.851 1.00 0.00 H new ATOM 22 N ARG A 3 -13.420 -3.892 -31.639 1.00 0.00 N ATOM 23 CA ARG A 3 -14.395 -3.603 -30.589 1.00 0.00 C ATOM 24 C ARG A 3 -14.146 -2.182 -30.047 1.00 0.00 C ATOM 25 O ARG A 3 -13.376 -1.999 -29.096 1.00 0.00 O ATOM 26 CB ARG A 3 -14.330 -4.649 -29.431 1.00 0.00 C ATOM 27 CG ARG A 3 -14.575 -6.131 -29.835 1.00 0.00 C ATOM 28 CD ARG A 3 -13.340 -6.794 -30.479 1.00 0.00 C ATOM 29 NE ARG A 3 -13.590 -8.202 -30.859 1.00 0.00 N ATOM 30 CZ ARG A 3 -12.859 -9.267 -30.469 1.00 0.00 C ATOM 31 NH1 ARG A 3 -11.851 -9.126 -29.611 1.00 0.00 N ATOM 32 NH2 ARG A 3 -13.159 -10.475 -30.931 1.00 0.00 N ATOM 0 H ARG A 3 -12.559 -4.315 -31.293 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.394 -3.666 -31.019 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.350 -4.579 -28.960 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.067 -4.372 -28.677 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.866 -6.699 -28.951 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.411 -6.178 -30.533 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.047 -6.228 -31.363 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.503 -6.752 -29.782 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.386 -8.384 -31.470 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.623 -8.204 -29.240 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.307 -9.940 -29.325 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.939 -10.595 -31.578 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.610 -11.283 -30.639 1.00 0.00 H new ATOM 46 N ARG A 4 -14.743 -1.178 -30.711 1.00 0.00 N ATOM 47 CA ARG A 4 -14.624 0.243 -30.303 1.00 0.00 C ATOM 48 C ARG A 4 -15.542 0.540 -29.089 1.00 0.00 C ATOM 49 O ARG A 4 -16.660 1.042 -29.225 1.00 0.00 O ATOM 50 CB ARG A 4 -14.899 1.183 -31.525 1.00 0.00 C ATOM 51 CG ARG A 4 -16.192 0.869 -32.317 1.00 0.00 C ATOM 52 CD ARG A 4 -16.405 1.798 -33.525 1.00 0.00 C ATOM 53 NE ARG A 4 -17.655 1.474 -34.239 1.00 0.00 N ATOM 54 CZ ARG A 4 -18.359 2.315 -35.016 1.00 0.00 C ATOM 55 NH1 ARG A 4 -17.998 3.589 -35.157 1.00 0.00 N ATOM 56 NH2 ARG A 4 -19.449 1.878 -35.630 1.00 0.00 N ATOM 0 H ARG A 4 -15.319 -1.321 -31.541 1.00 0.00 H new ATOM 0 HA ARG A 4 -13.604 0.443 -29.975 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -14.951 2.212 -31.168 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.051 1.125 -32.207 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.156 -0.164 -32.663 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -17.049 0.951 -31.648 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.435 2.834 -33.188 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.560 1.709 -34.208 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.017 0.526 -34.133 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.174 3.942 -34.671 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.546 4.211 -35.751 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.748 0.910 -35.511 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -19.989 2.510 -36.221 1.00 0.00 H new ATOM 70 N VAL A 5 -15.058 0.159 -27.893 1.00 0.00 N ATOM 71 CA VAL A 5 -15.778 0.334 -26.622 1.00 0.00 C ATOM 72 C VAL A 5 -14.774 0.711 -25.503 1.00 0.00 C ATOM 73 O VAL A 5 -14.032 -0.132 -24.978 1.00 0.00 O ATOM 74 CB VAL A 5 -16.631 -0.948 -26.246 1.00 0.00 C ATOM 75 CG1 VAL A 5 -15.801 -2.255 -26.314 1.00 0.00 C ATOM 76 CG2 VAL A 5 -17.318 -0.800 -24.861 1.00 0.00 C ATOM 0 H VAL A 5 -14.146 -0.284 -27.782 1.00 0.00 H new ATOM 0 HA VAL A 5 -16.492 1.150 -26.736 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.413 -1.023 -27.002 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -16.433 -3.102 -26.047 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.419 -2.391 -27.326 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -14.966 -2.192 -25.617 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -17.892 -1.700 -24.642 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -16.559 -0.657 -24.092 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -17.985 0.062 -24.876 1.00 0.00 H new ATOM 86 N ARG A 6 -14.722 2.018 -25.196 1.00 0.00 N ATOM 87 CA ARG A 6 -13.864 2.575 -24.127 1.00 0.00 C ATOM 88 C ARG A 6 -14.510 2.338 -22.737 1.00 0.00 C ATOM 89 O ARG A 6 -13.806 2.319 -21.718 1.00 0.00 O ATOM 90 CB ARG A 6 -13.630 4.089 -24.398 1.00 0.00 C ATOM 91 CG ARG A 6 -12.620 4.789 -23.461 1.00 0.00 C ATOM 92 CD ARG A 6 -12.472 6.292 -23.767 1.00 0.00 C ATOM 93 NE ARG A 6 -11.882 6.552 -25.103 1.00 0.00 N ATOM 94 CZ ARG A 6 -12.551 6.984 -26.190 1.00 0.00 C ATOM 95 NH1 ARG A 6 -13.877 7.080 -26.192 1.00 0.00 N ATOM 96 NH2 ARG A 6 -11.880 7.292 -27.291 1.00 0.00 N ATOM 0 H ARG A 6 -15.275 2.724 -25.682 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.899 2.069 -24.126 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.286 4.206 -25.426 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.587 4.605 -24.321 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.941 4.662 -22.427 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.648 4.305 -23.554 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.451 6.768 -23.708 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.847 6.754 -23.003 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.881 6.389 -25.208 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.408 6.824 -25.360 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.363 7.410 -27.026 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.864 7.201 -27.311 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.379 7.620 -28.118 1.00 0.00 H new ATOM 110 N LEU A 7 -15.856 2.157 -22.735 1.00 0.00 N ATOM 111 CA LEU A 7 -16.674 1.884 -21.536 1.00 0.00 C ATOM 112 C LEU A 7 -16.585 3.090 -20.571 1.00 0.00 C ATOM 113 O LEU A 7 -15.823 3.087 -19.599 1.00 0.00 O ATOM 114 CB LEU A 7 -16.280 0.505 -20.889 1.00 0.00 C ATOM 115 CG LEU A 7 -17.308 -0.179 -19.908 1.00 0.00 C ATOM 116 CD1 LEU A 7 -17.331 0.469 -18.510 1.00 0.00 C ATOM 117 CD2 LEU A 7 -18.728 -0.222 -20.522 1.00 0.00 C ATOM 0 H LEU A 7 -16.411 2.199 -23.590 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.724 1.777 -21.808 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.075 -0.196 -21.698 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.346 0.647 -20.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.960 -1.203 -19.770 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.058 -0.046 -17.882 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.342 0.393 -18.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.609 1.519 -18.600 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.413 -0.699 -19.821 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.067 0.794 -20.726 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.705 -0.791 -21.452 1.00 0.00 H new ATOM 129 N ILE A 8 -17.339 4.145 -20.903 1.00 0.00 N ATOM 130 CA ILE A 8 -17.286 5.429 -20.188 1.00 0.00 C ATOM 131 C ILE A 8 -18.452 5.529 -19.171 1.00 0.00 C ATOM 132 O ILE A 8 -19.622 5.668 -19.541 1.00 0.00 O ATOM 133 CB ILE A 8 -17.248 6.640 -21.210 1.00 0.00 C ATOM 134 CG1 ILE A 8 -17.136 8.014 -20.462 1.00 0.00 C ATOM 135 CG2 ILE A 8 -18.454 6.621 -22.194 1.00 0.00 C ATOM 136 CD1 ILE A 8 -17.010 9.242 -21.358 1.00 0.00 C ATOM 0 H ILE A 8 -18.004 4.134 -21.676 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.361 5.483 -19.613 1.00 0.00 H new ATOM 0 HB ILE A 8 -16.350 6.517 -21.815 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -18.015 8.136 -19.830 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.270 7.978 -19.801 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.383 7.470 -22.874 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -18.440 5.695 -22.768 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -19.385 6.685 -21.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.939 10.137 -20.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.114 9.153 -21.973 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.886 9.314 -22.002 1.00 0.00 H new ATOM 148 N ARG A 9 -18.110 5.378 -17.879 1.00 0.00 N ATOM 149 CA ARG A 9 -19.060 5.497 -16.753 1.00 0.00 C ATOM 150 C ARG A 9 -18.781 6.781 -15.958 1.00 0.00 C ATOM 151 O ARG A 9 -17.796 7.474 -16.230 1.00 0.00 O ATOM 152 CB ARG A 9 -18.975 4.235 -15.843 1.00 0.00 C ATOM 153 CG ARG A 9 -19.453 2.938 -16.537 1.00 0.00 C ATOM 154 CD ARG A 9 -19.409 1.692 -15.627 1.00 0.00 C ATOM 155 NE ARG A 9 -19.922 0.502 -16.340 1.00 0.00 N ATOM 156 CZ ARG A 9 -20.009 -0.743 -15.839 1.00 0.00 C ATOM 157 NH1 ARG A 9 -19.591 -1.026 -14.606 1.00 0.00 N ATOM 158 NH2 ARG A 9 -20.510 -1.711 -16.599 1.00 0.00 N ATOM 0 H ARG A 9 -17.157 5.168 -17.582 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.075 5.560 -17.145 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.944 4.103 -15.515 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.575 4.401 -14.949 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.474 3.082 -16.891 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.833 2.757 -17.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.385 1.512 -15.299 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.004 1.869 -14.731 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.239 0.638 -17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.195 -0.291 -14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.667 -1.978 -14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.822 -1.505 -17.548 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.583 -2.660 -16.233 1.00 0.00 H new ATOM 172 N THR A 10 -19.658 7.065 -14.969 1.00 0.00 N ATOM 173 CA THR A 10 -19.632 8.297 -14.156 1.00 0.00 C ATOM 174 C THR A 10 -18.235 8.569 -13.528 1.00 0.00 C ATOM 175 O THR A 10 -17.713 7.743 -12.764 1.00 0.00 O ATOM 176 CB THR A 10 -20.720 8.226 -13.025 1.00 0.00 C ATOM 177 OG1 THR A 10 -20.527 7.036 -12.249 1.00 0.00 O ATOM 178 CG2 THR A 10 -22.160 8.233 -13.585 1.00 0.00 C ATOM 0 H THR A 10 -20.415 6.433 -14.711 1.00 0.00 H new ATOM 0 HA THR A 10 -19.853 9.125 -14.829 1.00 0.00 H new ATOM 0 HB THR A 10 -20.600 9.116 -12.408 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.570 6.833 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 10 -22.871 8.182 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 10 -22.326 9.149 -14.151 1.00 0.00 H new ATOM 0 HG23 THR A 10 -22.300 7.372 -14.239 1.00 0.00 H new ATOM 186 N ARG A 11 -17.631 9.710 -13.908 1.00 0.00 N ATOM 187 CA ARG A 11 -16.334 10.159 -13.382 1.00 0.00 C ATOM 188 C ARG A 11 -16.483 10.587 -11.902 1.00 0.00 C ATOM 189 O ARG A 11 -17.104 11.613 -11.612 1.00 0.00 O ATOM 190 CB ARG A 11 -15.789 11.335 -14.252 1.00 0.00 C ATOM 191 CG ARG A 11 -14.478 11.987 -13.746 1.00 0.00 C ATOM 192 CD ARG A 11 -13.277 11.029 -13.729 1.00 0.00 C ATOM 193 NE ARG A 11 -12.866 10.613 -15.086 1.00 0.00 N ATOM 194 CZ ARG A 11 -11.702 10.008 -15.395 1.00 0.00 C ATOM 195 NH1 ARG A 11 -10.807 9.709 -14.456 1.00 0.00 N ATOM 196 NH2 ARG A 11 -11.444 9.704 -16.654 1.00 0.00 N ATOM 0 H ARG A 11 -18.034 10.349 -14.593 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.620 9.337 -13.429 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.624 10.968 -15.265 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.558 12.106 -14.313 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.240 12.842 -14.379 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.639 12.371 -12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.437 11.513 -13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.529 10.146 -13.142 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.515 10.799 -15.850 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.996 9.938 -13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.932 9.251 -14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.123 9.927 -17.382 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.566 9.246 -16.898 1.00 0.00 H new ATOM 210 N GLY A 12 -15.942 9.774 -10.983 1.00 0.00 N ATOM 211 CA GLY A 12 -15.972 10.083 -9.551 1.00 0.00 C ATOM 212 C GLY A 12 -15.593 8.894 -8.684 1.00 0.00 C ATOM 213 O GLY A 12 -15.149 7.852 -9.198 1.00 0.00 O ATOM 0 H GLY A 12 -15.477 8.895 -11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.289 10.908 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.971 10.422 -9.278 1.00 0.00 H new ATOM 217 N GLY A 13 -15.791 9.044 -7.359 1.00 0.00 N ATOM 218 CA GLY A 13 -15.477 7.997 -6.378 1.00 0.00 C ATOM 219 C GLY A 13 -16.619 7.000 -6.221 1.00 0.00 C ATOM 220 O GLY A 13 -17.200 6.871 -5.137 1.00 0.00 O ATOM 0 H GLY A 13 -16.172 9.894 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.575 7.469 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.262 8.457 -5.413 1.00 0.00 H new ATOM 224 N ASN A 14 -16.938 6.291 -7.321 1.00 0.00 N ATOM 225 CA ASN A 14 -18.027 5.299 -7.378 1.00 0.00 C ATOM 226 C ASN A 14 -17.500 3.932 -6.905 1.00 0.00 C ATOM 227 O ASN A 14 -17.505 2.943 -7.661 1.00 0.00 O ATOM 228 CB ASN A 14 -18.580 5.211 -8.825 1.00 0.00 C ATOM 229 CG ASN A 14 -19.048 6.556 -9.373 1.00 0.00 C ATOM 230 OD1 ASN A 14 -20.202 6.939 -9.213 1.00 0.00 O ATOM 231 ND2 ASN A 14 -18.149 7.280 -10.030 1.00 0.00 N ATOM 0 H ASN A 14 -16.440 6.393 -8.205 1.00 0.00 H new ATOM 0 HA ASN A 14 -18.840 5.604 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.806 4.809 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.412 4.508 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.410 8.186 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.198 6.930 -10.144 1.00 0.00 H new ATOM 238 N THR A 15 -17.033 3.895 -5.648 1.00 0.00 N ATOM 239 CA THR A 15 -16.388 2.719 -5.058 1.00 0.00 C ATOM 240 C THR A 15 -17.446 1.675 -4.638 1.00 0.00 C ATOM 241 O THR A 15 -17.862 1.595 -3.478 1.00 0.00 O ATOM 242 CB THR A 15 -15.458 3.142 -3.866 1.00 0.00 C ATOM 243 OG1 THR A 15 -16.194 3.913 -2.905 1.00 0.00 O ATOM 244 CG2 THR A 15 -14.252 3.969 -4.356 1.00 0.00 C ATOM 0 H THR A 15 -17.094 4.688 -5.010 1.00 0.00 H new ATOM 0 HA THR A 15 -15.753 2.247 -5.807 1.00 0.00 H new ATOM 0 HB THR A 15 -15.090 2.227 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.035 3.456 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.630 4.245 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.665 3.376 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.608 4.872 -4.853 1.00 0.00 H new ATOM 252 N LYS A 16 -17.935 0.940 -5.650 1.00 0.00 N ATOM 253 CA LYS A 16 -18.929 -0.139 -5.497 1.00 0.00 C ATOM 254 C LYS A 16 -18.252 -1.460 -5.876 1.00 0.00 C ATOM 255 O LYS A 16 -18.390 -2.477 -5.183 1.00 0.00 O ATOM 256 CB LYS A 16 -20.166 0.141 -6.403 1.00 0.00 C ATOM 257 CG LYS A 16 -20.813 1.536 -6.219 1.00 0.00 C ATOM 258 CD LYS A 16 -21.395 1.771 -4.805 1.00 0.00 C ATOM 259 CE LYS A 16 -21.992 3.179 -4.642 1.00 0.00 C ATOM 260 NZ LYS A 16 -22.584 3.389 -3.291 1.00 0.00 N ATOM 0 H LYS A 16 -17.645 1.081 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 16 -19.285 -0.193 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.866 0.032 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.920 -0.621 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.067 2.303 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.608 1.657 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.166 1.027 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.610 1.624 -4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.215 3.923 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.759 3.336 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.974 4.351 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.344 2.697 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.848 3.266 -2.567 1.00 0.00 H new ATOM 274 N VAL A 17 -17.510 -1.423 -6.992 1.00 0.00 N ATOM 275 CA VAL A 17 -16.592 -2.498 -7.383 1.00 0.00 C ATOM 276 C VAL A 17 -15.246 -2.286 -6.656 1.00 0.00 C ATOM 277 O VAL A 17 -14.776 -1.144 -6.548 1.00 0.00 O ATOM 278 CB VAL A 17 -16.415 -2.549 -8.952 1.00 0.00 C ATOM 279 CG1 VAL A 17 -15.786 -1.254 -9.519 1.00 0.00 C ATOM 280 CG2 VAL A 17 -15.621 -3.801 -9.402 1.00 0.00 C ATOM 0 H VAL A 17 -17.531 -0.644 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.004 -3.463 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.419 -2.625 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -15.686 -1.341 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.426 -0.404 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.802 -1.103 -9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -15.522 -3.798 -10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.631 -3.787 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.151 -4.700 -9.089 1.00 0.00 H new ATOM 290 N ARG A 18 -14.658 -3.375 -6.133 1.00 0.00 N ATOM 291 CA ARG A 18 -13.378 -3.310 -5.403 1.00 0.00 C ATOM 292 C ARG A 18 -12.236 -3.207 -6.429 1.00 0.00 C ATOM 293 O ARG A 18 -11.665 -2.132 -6.639 1.00 0.00 O ATOM 294 CB ARG A 18 -13.165 -4.544 -4.462 1.00 0.00 C ATOM 295 CG ARG A 18 -14.238 -4.776 -3.360 1.00 0.00 C ATOM 296 CD ARG A 18 -15.556 -5.383 -3.880 1.00 0.00 C ATOM 297 NE ARG A 18 -16.505 -5.649 -2.781 1.00 0.00 N ATOM 298 CZ ARG A 18 -17.789 -6.031 -2.928 1.00 0.00 C ATOM 299 NH1 ARG A 18 -18.352 -6.111 -4.130 1.00 0.00 N ATOM 300 NH2 ARG A 18 -18.517 -6.311 -1.854 1.00 0.00 N ATOM 0 H ARG A 18 -15.049 -4.314 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.390 -2.431 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.114 -5.439 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.195 -4.438 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.823 -5.435 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.456 -3.825 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.012 -4.702 -4.598 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.345 -6.311 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.159 -5.534 -1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.810 -5.881 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.325 -6.402 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.104 -6.236 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.489 -6.601 -1.958 1.00 0.00 H new ATOM 314 N LEU A 19 -11.950 -4.333 -7.087 1.00 0.00 N ATOM 315 CA LEU A 19 -10.956 -4.430 -8.168 1.00 0.00 C ATOM 316 C LEU A 19 -11.701 -4.472 -9.514 1.00 0.00 C ATOM 317 O LEU A 19 -12.566 -5.333 -9.704 1.00 0.00 O ATOM 318 CB LEU A 19 -10.060 -5.703 -7.981 1.00 0.00 C ATOM 319 CG LEU A 19 -8.965 -5.642 -6.854 1.00 0.00 C ATOM 320 CD1 LEU A 19 -9.572 -5.553 -5.441 1.00 0.00 C ATOM 321 CD2 LEU A 19 -7.978 -6.830 -6.948 1.00 0.00 C ATOM 0 H LEU A 19 -12.409 -5.221 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.296 -3.563 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.713 -6.550 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.561 -5.909 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.408 -4.721 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.771 -5.514 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.182 -4.653 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.193 -6.429 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.237 -6.751 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.525 -7.767 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.475 -6.810 -7.915 1.00 0.00 H new ATOM 333 N ALA A 20 -11.371 -3.544 -10.433 1.00 0.00 N ATOM 334 CA ALA A 20 -12.012 -3.467 -11.760 1.00 0.00 C ATOM 335 C ALA A 20 -11.109 -4.145 -12.802 1.00 0.00 C ATOM 336 O ALA A 20 -10.549 -3.488 -13.696 1.00 0.00 O ATOM 337 CB ALA A 20 -12.337 -2.004 -12.112 1.00 0.00 C ATOM 0 H ALA A 20 -10.658 -2.831 -10.278 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.962 -4.002 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.809 -1.962 -13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.015 -1.592 -11.365 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.417 -1.420 -12.127 1.00 0.00 H new ATOM 343 N SER A 21 -10.946 -5.484 -12.620 1.00 0.00 N ATOM 344 CA SER A 21 -10.063 -6.352 -13.443 1.00 0.00 C ATOM 345 C SER A 21 -8.569 -5.971 -13.300 1.00 0.00 C ATOM 346 O SER A 21 -7.727 -6.433 -14.082 1.00 0.00 O ATOM 347 CB SER A 21 -10.500 -6.344 -14.936 1.00 0.00 C ATOM 348 OG SER A 21 -11.857 -6.731 -15.071 1.00 0.00 O ATOM 0 H SER A 21 -11.433 -5.997 -11.885 1.00 0.00 H new ATOM 0 HA SER A 21 -10.172 -7.367 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.359 -5.347 -15.354 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.866 -7.022 -15.508 1.00 0.00 H new ATOM 0 HG SER A 21 -12.109 -6.717 -16.018 1.00 0.00 H new ATOM 354 N ASP A 22 -8.253 -5.161 -12.273 1.00 0.00 N ATOM 355 CA ASP A 22 -6.898 -4.648 -12.017 1.00 0.00 C ATOM 356 C ASP A 22 -6.639 -4.634 -10.504 1.00 0.00 C ATOM 357 O ASP A 22 -7.574 -4.470 -9.707 1.00 0.00 O ATOM 358 CB ASP A 22 -6.711 -3.234 -12.648 1.00 0.00 C ATOM 359 CG ASP A 22 -7.401 -2.065 -11.898 1.00 0.00 C ATOM 360 OD1 ASP A 22 -8.598 -2.172 -11.522 1.00 0.00 O ATOM 361 OD2 ASP A 22 -6.746 -1.018 -11.692 1.00 0.00 O ATOM 0 H ASP A 22 -8.941 -4.842 -11.591 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.166 -5.304 -12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.644 -3.022 -12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.090 -3.260 -13.670 1.00 0.00 H new ATOM 366 N THR A 23 -5.370 -4.813 -10.125 1.00 0.00 N ATOM 367 CA THR A 23 -4.968 -5.013 -8.728 1.00 0.00 C ATOM 368 C THR A 23 -5.095 -3.689 -7.923 1.00 0.00 C ATOM 369 O THR A 23 -4.386 -2.726 -8.193 1.00 0.00 O ATOM 370 CB THR A 23 -3.501 -5.568 -8.696 1.00 0.00 C ATOM 371 OG1 THR A 23 -3.382 -6.657 -9.626 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.074 -6.075 -7.312 1.00 0.00 C ATOM 0 H THR A 23 -4.589 -4.823 -10.781 1.00 0.00 H new ATOM 0 HA THR A 23 -5.630 -5.738 -8.255 1.00 0.00 H new ATOM 0 HB THR A 23 -2.850 -4.735 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.466 -6.693 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.050 -6.445 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.132 -5.259 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.737 -6.882 -7.000 1.00 0.00 H new ATOM 380 N ARG A 24 -6.031 -3.653 -6.960 1.00 0.00 N ATOM 381 CA ARG A 24 -6.324 -2.456 -6.131 1.00 0.00 C ATOM 382 C ARG A 24 -5.941 -2.697 -4.667 1.00 0.00 C ATOM 383 O ARG A 24 -6.088 -3.814 -4.154 1.00 0.00 O ATOM 384 CB ARG A 24 -7.834 -2.092 -6.227 1.00 0.00 C ATOM 385 CG ARG A 24 -8.296 -1.602 -7.620 1.00 0.00 C ATOM 386 CD ARG A 24 -7.758 -0.200 -7.950 1.00 0.00 C ATOM 387 NE ARG A 24 -8.069 0.187 -9.332 1.00 0.00 N ATOM 388 CZ ARG A 24 -8.509 1.385 -9.735 1.00 0.00 C ATOM 389 NH1 ARG A 24 -8.910 2.298 -8.862 1.00 0.00 N ATOM 390 NH2 ARG A 24 -8.554 1.653 -11.028 1.00 0.00 N ATOM 0 H ARG A 24 -6.614 -4.457 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.729 -1.626 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.422 -2.967 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.054 -1.316 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.960 -2.307 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.385 -1.589 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.190 0.527 -7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.679 -0.179 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.937 -0.523 -10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.887 2.093 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.242 3.205 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.256 0.951 -11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.887 2.562 -11.349 1.00 0.00 H new ATOM 404 N ILE A 25 -5.472 -1.629 -4.000 1.00 0.00 N ATOM 405 CA ILE A 25 -5.012 -1.682 -2.602 1.00 0.00 C ATOM 406 C ILE A 25 -5.461 -0.423 -1.833 1.00 0.00 C ATOM 407 O ILE A 25 -5.542 0.667 -2.404 1.00 0.00 O ATOM 408 CB ILE A 25 -3.441 -1.827 -2.552 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.901 -1.973 -1.087 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.752 -0.643 -3.281 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.415 -2.285 -0.979 1.00 0.00 C ATOM 0 H ILE A 25 -5.401 -0.701 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.460 -2.552 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.190 -2.749 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.103 -1.048 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.460 -2.763 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.670 -0.766 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.069 -0.624 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.033 0.294 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.136 -2.367 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.203 -3.227 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.840 -1.485 -1.446 1.00 0.00 H new ATOM 423 N ASN A 26 -5.769 -0.589 -0.535 1.00 0.00 N ATOM 424 CA ASN A 26 -6.038 0.533 0.374 1.00 0.00 C ATOM 425 C ASN A 26 -4.729 0.908 1.070 1.00 0.00 C ATOM 426 O ASN A 26 -4.257 0.195 1.965 1.00 0.00 O ATOM 427 CB ASN A 26 -7.121 0.158 1.411 1.00 0.00 C ATOM 428 CG ASN A 26 -8.499 -0.030 0.776 1.00 0.00 C ATOM 429 OD1 ASN A 26 -8.840 0.634 -0.197 1.00 0.00 O ATOM 430 ND2 ASN A 26 -9.290 -0.939 1.312 1.00 0.00 N ATOM 0 H ASN A 26 -5.838 -1.504 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.416 1.384 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.830 -0.761 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.178 0.938 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.215 -1.106 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.976 -1.475 2.121 1.00 0.00 H new ATOM 437 N VAL A 27 -4.129 1.997 0.600 1.00 0.00 N ATOM 438 CA VAL A 27 -2.839 2.484 1.072 1.00 0.00 C ATOM 439 C VAL A 27 -3.061 3.431 2.258 1.00 0.00 C ATOM 440 O VAL A 27 -3.557 4.550 2.081 1.00 0.00 O ATOM 441 CB VAL A 27 -2.083 3.230 -0.085 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.706 3.732 0.368 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.968 2.337 -1.337 1.00 0.00 C ATOM 0 H VAL A 27 -4.535 2.577 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.228 1.640 1.392 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.675 4.106 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.214 4.242 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.827 4.425 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.097 2.886 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.440 2.878 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.417 1.430 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.965 2.071 -1.687 1.00 0.00 H new ATOM 453 N VAL A 28 -2.733 2.962 3.460 1.00 0.00 N ATOM 454 CA VAL A 28 -2.872 3.738 4.698 1.00 0.00 C ATOM 455 C VAL A 28 -1.529 4.385 5.015 1.00 0.00 C ATOM 456 O VAL A 28 -0.607 3.715 5.488 1.00 0.00 O ATOM 457 CB VAL A 28 -3.319 2.827 5.901 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.503 3.642 7.204 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.594 2.030 5.553 1.00 0.00 C ATOM 0 H VAL A 28 -2.359 2.024 3.607 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.641 4.497 4.555 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.516 2.112 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.812 2.976 8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.560 4.120 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.267 4.405 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.879 1.410 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.404 2.722 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.401 1.395 4.689 1.00 0.00 H new ATOM 469 N ASP A 29 -1.395 5.674 4.692 1.00 0.00 N ATOM 470 CA ASP A 29 -0.221 6.455 5.078 1.00 0.00 C ATOM 471 C ASP A 29 -0.167 6.503 6.623 1.00 0.00 C ATOM 472 O ASP A 29 -1.034 7.128 7.237 1.00 0.00 O ATOM 473 CB ASP A 29 -0.283 7.880 4.487 1.00 0.00 C ATOM 474 CG ASP A 29 1.076 8.604 4.555 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.510 8.970 5.664 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.719 8.802 3.507 1.00 0.00 O ATOM 0 H ASP A 29 -2.090 6.199 4.161 1.00 0.00 H new ATOM 0 HA ASP A 29 0.681 5.986 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.611 7.826 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.029 8.462 5.027 1.00 0.00 H new ATOM 481 N PRO A 30 0.837 5.844 7.271 1.00 0.00 N ATOM 482 CA PRO A 30 0.795 5.572 8.730 1.00 0.00 C ATOM 483 C PRO A 30 1.002 6.829 9.600 1.00 0.00 C ATOM 484 O PRO A 30 0.584 6.859 10.762 1.00 0.00 O ATOM 485 CB PRO A 30 1.940 4.543 8.918 1.00 0.00 C ATOM 486 CG PRO A 30 2.925 4.891 7.842 1.00 0.00 C ATOM 487 CD PRO A 30 2.094 5.326 6.650 1.00 0.00 C ATOM 0 HA PRO A 30 -0.181 5.209 9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.388 4.621 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.578 3.520 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.593 5.689 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.550 4.034 7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.600 6.095 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.895 4.494 5.975 1.00 0.00 H new ATOM 495 N GLU A 31 1.642 7.865 9.029 1.00 0.00 N ATOM 496 CA GLU A 31 1.985 9.098 9.766 1.00 0.00 C ATOM 497 C GLU A 31 0.926 10.209 9.570 1.00 0.00 C ATOM 498 O GLU A 31 0.535 10.862 10.549 1.00 0.00 O ATOM 499 CB GLU A 31 3.417 9.575 9.382 1.00 0.00 C ATOM 500 CG GLU A 31 3.696 9.740 7.875 1.00 0.00 C ATOM 501 CD GLU A 31 5.191 9.933 7.549 1.00 0.00 C ATOM 502 OE1 GLU A 31 5.749 11.009 7.857 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.816 9.008 6.987 1.00 0.00 O ATOM 0 H GLU A 31 1.935 7.874 8.052 1.00 0.00 H new ATOM 0 HA GLU A 31 1.982 8.867 10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.603 10.531 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.136 8.863 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.326 8.862 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.136 10.597 7.501 1.00 0.00 H new ATOM 510 N THR A 32 0.458 10.420 8.321 1.00 0.00 N ATOM 511 CA THR A 32 -0.542 11.480 8.010 1.00 0.00 C ATOM 512 C THR A 32 -1.985 10.966 8.202 1.00 0.00 C ATOM 513 O THR A 32 -2.905 11.757 8.443 1.00 0.00 O ATOM 514 CB THR A 32 -0.386 12.029 6.551 1.00 0.00 C ATOM 515 OG1 THR A 32 -0.716 11.012 5.599 1.00 0.00 O ATOM 516 CG2 THR A 32 1.039 12.530 6.274 1.00 0.00 C ATOM 0 H THR A 32 0.752 9.876 7.510 1.00 0.00 H new ATOM 0 HA THR A 32 -0.350 12.293 8.711 1.00 0.00 H new ATOM 0 HB THR A 32 -1.071 12.871 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.616 11.368 4.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.102 12.902 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.283 13.334 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.745 11.710 6.406 1.00 0.00 H new ATOM 524 N GLY A 33 -2.167 9.636 8.081 1.00 0.00 N ATOM 525 CA GLY A 33 -3.473 8.987 8.255 1.00 0.00 C ATOM 526 C GLY A 33 -4.307 8.912 6.975 1.00 0.00 C ATOM 527 O GLY A 33 -5.478 8.506 7.035 1.00 0.00 O ATOM 0 H GLY A 33 -1.412 8.987 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.317 7.977 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.038 9.529 9.013 1.00 0.00 H new ATOM 531 N LYS A 34 -3.720 9.310 5.827 1.00 0.00 N ATOM 532 CA LYS A 34 -4.412 9.291 4.527 1.00 0.00 C ATOM 533 C LYS A 34 -4.598 7.845 4.020 1.00 0.00 C ATOM 534 O LYS A 34 -3.634 7.195 3.609 1.00 0.00 O ATOM 535 CB LYS A 34 -3.617 10.117 3.483 1.00 0.00 C ATOM 536 CG LYS A 34 -3.522 11.627 3.782 1.00 0.00 C ATOM 537 CD LYS A 34 -4.891 12.344 3.710 1.00 0.00 C ATOM 538 CE LYS A 34 -4.767 13.860 3.929 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.083 14.550 3.854 1.00 0.00 N ATOM 0 H LYS A 34 -2.760 9.651 5.778 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.397 9.738 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.608 9.711 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.082 9.984 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.095 11.769 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.837 12.090 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.347 12.156 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.559 11.924 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.315 14.049 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.096 14.280 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.949 15.570 4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.504 14.393 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.717 14.170 4.586 1.00 0.00 H new ATOM 553 N VAL A 35 -5.842 7.353 4.074 1.00 0.00 N ATOM 554 CA VAL A 35 -6.220 6.041 3.521 1.00 0.00 C ATOM 555 C VAL A 35 -6.818 6.265 2.121 1.00 0.00 C ATOM 556 O VAL A 35 -7.926 6.795 1.999 1.00 0.00 O ATOM 557 CB VAL A 35 -7.259 5.294 4.442 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.563 3.868 3.917 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.771 5.255 5.909 1.00 0.00 C ATOM 0 H VAL A 35 -6.620 7.854 4.504 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.333 5.410 3.465 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.191 5.859 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.283 3.383 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.978 3.931 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.642 3.285 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.506 4.734 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.817 4.730 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.646 6.273 6.278 1.00 0.00 H new ATOM 569 N GLU A 36 -6.083 5.853 1.079 1.00 0.00 N ATOM 570 CA GLU A 36 -6.426 6.151 -0.321 1.00 0.00 C ATOM 571 C GLU A 36 -6.245 4.891 -1.178 1.00 0.00 C ATOM 572 O GLU A 36 -5.258 4.166 -1.017 1.00 0.00 O ATOM 573 CB GLU A 36 -5.534 7.316 -0.840 1.00 0.00 C ATOM 574 CG GLU A 36 -5.738 7.710 -2.324 1.00 0.00 C ATOM 575 CD GLU A 36 -7.181 8.121 -2.670 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.590 9.245 -2.323 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.917 7.316 -3.287 1.00 0.00 O ATOM 0 H GLU A 36 -5.231 5.302 1.182 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.469 6.461 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.720 8.194 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.489 7.040 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.068 8.535 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.449 6.870 -2.955 1.00 0.00 H new ATOM 584 N ILE A 37 -7.205 4.649 -2.085 1.00 0.00 N ATOM 585 CA ILE A 37 -7.186 3.502 -2.999 1.00 0.00 C ATOM 586 C ILE A 37 -6.191 3.783 -4.140 1.00 0.00 C ATOM 587 O ILE A 37 -6.215 4.867 -4.738 1.00 0.00 O ATOM 588 CB ILE A 37 -8.617 3.210 -3.582 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.646 2.997 -2.414 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.596 1.985 -4.544 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.081 2.781 -2.855 1.00 0.00 C ATOM 0 H ILE A 37 -8.021 5.250 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.872 2.618 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.932 4.075 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.330 2.137 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.611 3.865 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.600 1.809 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.918 2.185 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.256 1.103 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.714 2.644 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.423 3.650 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.138 1.894 -3.486 1.00 0.00 H new ATOM 603 N ALA A 38 -5.312 2.809 -4.419 1.00 0.00 N ATOM 604 CA ALA A 38 -4.289 2.916 -5.463 1.00 0.00 C ATOM 605 C ALA A 38 -4.290 1.678 -6.363 1.00 0.00 C ATOM 606 O ALA A 38 -4.870 0.635 -6.024 1.00 0.00 O ATOM 607 CB ALA A 38 -2.920 3.126 -4.823 1.00 0.00 C ATOM 0 H ALA A 38 -5.293 1.919 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.519 3.776 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.162 3.205 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.931 4.043 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.688 2.281 -4.175 1.00 0.00 H new ATOM 613 N GLU A 39 -3.621 1.823 -7.510 1.00 0.00 N ATOM 614 CA GLU A 39 -3.487 0.774 -8.526 1.00 0.00 C ATOM 615 C GLU A 39 -2.076 0.178 -8.434 1.00 0.00 C ATOM 616 O GLU A 39 -1.093 0.899 -8.653 1.00 0.00 O ATOM 617 CB GLU A 39 -3.733 1.405 -9.923 1.00 0.00 C ATOM 618 CG GLU A 39 -5.099 2.114 -10.045 1.00 0.00 C ATOM 619 CD GLU A 39 -5.280 2.891 -11.354 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.656 2.279 -12.373 1.00 0.00 O ATOM 621 OE2 GLU A 39 -5.066 4.125 -11.371 1.00 0.00 O ATOM 0 H GLU A 39 -3.148 2.690 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.214 -0.022 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.940 2.122 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.668 0.625 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.892 1.371 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.217 2.801 -9.207 1.00 0.00 H new ATOM 628 N ILE A 40 -1.974 -1.127 -8.101 1.00 0.00 N ATOM 629 CA ILE A 40 -0.682 -1.810 -7.984 1.00 0.00 C ATOM 630 C ILE A 40 -0.156 -2.114 -9.402 1.00 0.00 C ATOM 631 O ILE A 40 -0.720 -2.945 -10.128 1.00 0.00 O ATOM 632 CB ILE A 40 -0.790 -3.136 -7.138 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.232 -2.819 -5.671 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.531 -3.949 -7.157 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.355 -4.030 -4.752 1.00 0.00 C ATOM 0 H ILE A 40 -2.778 -1.724 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 40 0.013 -1.157 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.554 -3.759 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.515 -2.124 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.194 -2.307 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.410 -4.854 -6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.776 -4.221 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.336 -3.345 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.666 -3.704 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.096 -4.720 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.391 -4.533 -4.683 1.00 0.00 H new ATOM 647 N ARG A 41 0.906 -1.402 -9.782 1.00 0.00 N ATOM 648 CA ARG A 41 1.572 -1.561 -11.082 1.00 0.00 C ATOM 649 C ARG A 41 2.549 -2.737 -11.052 1.00 0.00 C ATOM 650 O ARG A 41 2.656 -3.499 -12.021 1.00 0.00 O ATOM 651 CB ARG A 41 2.300 -0.253 -11.467 1.00 0.00 C ATOM 652 CG ARG A 41 1.397 1.001 -11.450 1.00 0.00 C ATOM 653 CD ARG A 41 2.086 2.232 -12.054 1.00 0.00 C ATOM 654 NE ARG A 41 3.385 2.526 -11.414 1.00 0.00 N ATOM 655 CZ ARG A 41 3.749 3.707 -10.901 1.00 0.00 C ATOM 656 NH1 ARG A 41 2.893 4.715 -10.833 1.00 0.00 N ATOM 657 NH2 ARG A 41 4.980 3.871 -10.444 1.00 0.00 N ATOM 0 H ARG A 41 1.335 -0.690 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 41 0.815 -1.775 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.132 -0.097 -10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.726 -0.367 -12.464 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.482 0.793 -12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.105 1.220 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.239 2.071 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.431 3.097 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 41 4.061 1.764 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.939 4.598 -11.175 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.188 5.608 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.646 3.099 -10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.263 4.769 -10.052 1.00 0.00 H new ATOM 671 N ASN A 42 3.259 -2.878 -9.922 1.00 0.00 N ATOM 672 CA ASN A 42 4.264 -3.937 -9.721 1.00 0.00 C ATOM 673 C ASN A 42 3.984 -4.681 -8.414 1.00 0.00 C ATOM 674 O ASN A 42 3.805 -4.063 -7.366 1.00 0.00 O ATOM 675 CB ASN A 42 5.704 -3.346 -9.700 1.00 0.00 C ATOM 676 CG ASN A 42 6.170 -2.813 -11.057 1.00 0.00 C ATOM 677 OD1 ASN A 42 5.784 -3.321 -12.109 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.020 -1.807 -11.040 1.00 0.00 N ATOM 0 H ASN A 42 3.153 -2.259 -9.118 1.00 0.00 H new ATOM 0 HA ASN A 42 4.195 -4.635 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.745 -2.539 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.398 -4.116 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.378 -1.427 -11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.320 -1.408 -10.151 1.00 0.00 H new ATOM 685 N VAL A 43 3.944 -6.011 -8.503 1.00 0.00 N ATOM 686 CA VAL A 43 3.823 -6.913 -7.337 1.00 0.00 C ATOM 687 C VAL A 43 5.217 -7.425 -6.926 1.00 0.00 C ATOM 688 O VAL A 43 5.371 -8.042 -5.862 1.00 0.00 O ATOM 689 CB VAL A 43 2.870 -8.118 -7.651 1.00 0.00 C ATOM 690 CG1 VAL A 43 1.433 -7.626 -7.910 1.00 0.00 C ATOM 691 CG2 VAL A 43 3.386 -8.947 -8.853 1.00 0.00 C ATOM 0 H VAL A 43 3.995 -6.506 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 43 3.389 -6.351 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 43 2.860 -8.768 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.790 -8.479 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.062 -7.106 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.429 -6.945 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.703 -9.774 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.442 -8.311 -9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.377 -9.340 -8.625 1.00 0.00 H new ATOM 701 N VAL A 44 6.209 -7.183 -7.809 1.00 0.00 N ATOM 702 CA VAL A 44 7.616 -7.496 -7.554 1.00 0.00 C ATOM 703 C VAL A 44 8.172 -6.577 -6.430 1.00 0.00 C ATOM 704 O VAL A 44 8.340 -5.366 -6.605 1.00 0.00 O ATOM 705 CB VAL A 44 8.469 -7.409 -8.884 1.00 0.00 C ATOM 706 CG1 VAL A 44 8.360 -6.033 -9.583 1.00 0.00 C ATOM 707 CG2 VAL A 44 9.953 -7.779 -8.643 1.00 0.00 C ATOM 0 H VAL A 44 6.046 -6.762 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 44 7.693 -8.526 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 44 8.036 -8.147 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.967 -6.036 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.320 -5.839 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.717 -5.254 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.503 -7.706 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.385 -7.093 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.017 -8.799 -8.263 1.00 0.00 H new ATOM 717 N GLU A 45 8.379 -7.189 -5.261 1.00 0.00 N ATOM 718 CA GLU A 45 8.897 -6.526 -4.041 1.00 0.00 C ATOM 719 C GLU A 45 10.362 -6.084 -4.209 1.00 0.00 C ATOM 720 O GLU A 45 10.761 -5.003 -3.757 1.00 0.00 O ATOM 721 CB GLU A 45 8.730 -7.450 -2.795 1.00 0.00 C ATOM 722 CG GLU A 45 9.563 -8.760 -2.777 1.00 0.00 C ATOM 723 CD GLU A 45 9.162 -9.778 -3.864 1.00 0.00 C ATOM 724 OE1 GLU A 45 8.210 -10.551 -3.638 1.00 0.00 O ATOM 725 OE2 GLU A 45 9.800 -9.812 -4.942 1.00 0.00 O ATOM 0 H GLU A 45 8.190 -8.182 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 45 8.304 -5.625 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.987 -6.872 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.677 -7.716 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.617 -8.509 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.460 -9.230 -1.799 1.00 0.00 H new ATOM 732 N ASN A 46 11.125 -6.928 -4.890 1.00 0.00 N ATOM 733 CA ASN A 46 12.537 -6.704 -5.193 1.00 0.00 C ATOM 734 C ASN A 46 12.843 -7.449 -6.490 1.00 0.00 C ATOM 735 O ASN A 46 12.474 -8.627 -6.619 1.00 0.00 O ATOM 736 CB ASN A 46 13.441 -7.208 -4.030 1.00 0.00 C ATOM 737 CG ASN A 46 14.944 -7.132 -4.344 1.00 0.00 C ATOM 738 OD1 ASN A 46 15.532 -8.078 -4.880 1.00 0.00 O ATOM 739 ND2 ASN A 46 15.580 -6.015 -4.017 1.00 0.00 N ATOM 0 H ASN A 46 10.772 -7.812 -5.258 1.00 0.00 H new ATOM 0 HA ASN A 46 12.741 -5.640 -5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.234 -6.617 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.178 -8.240 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.578 -5.922 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.071 -5.249 -3.576 1.00 0.00 H new ATOM 746 N THR A 47 13.483 -6.762 -7.450 1.00 0.00 N ATOM 747 CA THR A 47 13.828 -7.336 -8.755 1.00 0.00 C ATOM 748 C THR A 47 14.853 -8.480 -8.586 1.00 0.00 C ATOM 749 O THR A 47 16.069 -8.257 -8.514 1.00 0.00 O ATOM 750 CB THR A 47 14.343 -6.221 -9.723 1.00 0.00 C ATOM 751 OG1 THR A 47 15.449 -5.512 -9.121 1.00 0.00 O ATOM 752 CG2 THR A 47 13.228 -5.214 -10.066 1.00 0.00 C ATOM 0 H THR A 47 13.775 -5.791 -7.340 1.00 0.00 H new ATOM 0 HA THR A 47 12.933 -7.766 -9.204 1.00 0.00 H new ATOM 0 HB THR A 47 14.668 -6.708 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.066 -6.155 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.620 -4.453 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.402 -5.736 -10.549 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.872 -4.740 -9.151 1.00 0.00 H new ATOM 760 N ALA A 48 14.320 -9.708 -8.462 1.00 0.00 N ATOM 761 CA ALA A 48 15.096 -10.926 -8.216 1.00 0.00 C ATOM 762 C ALA A 48 14.525 -12.075 -9.061 1.00 0.00 C ATOM 763 O ALA A 48 13.640 -12.819 -8.609 1.00 0.00 O ATOM 764 CB ALA A 48 15.094 -11.260 -6.708 1.00 0.00 C ATOM 0 H ALA A 48 13.317 -9.880 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 48 16.134 -10.773 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.673 -12.167 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.538 -10.434 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.069 -11.415 -6.371 1.00 0.00 H new ATOM 770 N ASN A 49 15.016 -12.156 -10.320 1.00 0.00 N ATOM 771 CA ASN A 49 14.612 -13.171 -11.322 1.00 0.00 C ATOM 772 C ASN A 49 13.062 -13.145 -11.555 1.00 0.00 C ATOM 773 O ASN A 49 12.397 -14.191 -11.538 1.00 0.00 O ATOM 774 CB ASN A 49 15.159 -14.565 -10.863 1.00 0.00 C ATOM 775 CG ASN A 49 15.051 -15.698 -11.896 1.00 0.00 C ATOM 776 OD1 ASN A 49 14.892 -16.862 -11.528 1.00 0.00 O ATOM 777 ND2 ASN A 49 15.173 -15.385 -13.179 1.00 0.00 N ATOM 0 H ASN A 49 15.717 -11.506 -10.675 1.00 0.00 H new ATOM 0 HA ASN A 49 15.048 -12.947 -12.296 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.207 -14.450 -10.586 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.623 -14.867 -9.963 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.136 -16.117 -13.888 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.304 -14.412 -13.456 1.00 0.00 H new ATOM 784 N PRO A 50 12.464 -11.926 -11.837 1.00 0.00 N ATOM 785 CA PRO A 50 10.994 -11.716 -11.795 1.00 0.00 C ATOM 786 C PRO A 50 10.238 -12.392 -12.957 1.00 0.00 C ATOM 787 O PRO A 50 9.015 -12.520 -12.895 1.00 0.00 O ATOM 788 CB PRO A 50 10.836 -10.156 -11.843 1.00 0.00 C ATOM 789 CG PRO A 50 12.230 -9.613 -11.667 1.00 0.00 C ATOM 790 CD PRO A 50 13.143 -10.667 -12.243 1.00 0.00 C ATOM 0 HA PRO A 50 10.557 -12.170 -10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.404 -9.833 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.173 -9.803 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.350 -8.662 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.452 -9.432 -10.615 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.230 -10.582 -13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.152 -10.599 -11.836 1.00 0.00 H new ATOM 798 N HIS A 51 10.970 -12.797 -14.016 1.00 0.00 N ATOM 799 CA HIS A 51 10.382 -13.527 -15.156 1.00 0.00 C ATOM 800 C HIS A 51 10.002 -14.956 -14.731 1.00 0.00 C ATOM 801 O HIS A 51 8.909 -15.434 -15.047 1.00 0.00 O ATOM 802 CB HIS A 51 11.348 -13.541 -16.365 1.00 0.00 C ATOM 803 CG HIS A 51 10.813 -14.289 -17.564 1.00 0.00 C ATOM 804 ND1 HIS A 51 11.433 -15.394 -18.109 1.00 0.00 N ATOM 805 CD2 HIS A 51 9.700 -14.085 -18.315 1.00 0.00 C ATOM 806 CE1 HIS A 51 10.722 -15.836 -19.123 1.00 0.00 C ATOM 807 NE2 HIS A 51 9.668 -15.061 -19.273 1.00 0.00 N ATOM 0 H HIS A 51 11.972 -12.629 -14.104 1.00 0.00 H new ATOM 0 HA HIS A 51 9.475 -13.009 -15.469 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.565 -12.513 -16.657 1.00 0.00 H new ATOM 0 HB3 HIS A 51 12.292 -13.992 -16.059 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.974 -13.297 -18.181 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.963 -16.694 -19.733 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.947 -15.170 -19.986 1.00 0.00 H new ATOM 816 N PHE A 52 10.929 -15.619 -14.013 1.00 0.00 N ATOM 817 CA PHE A 52 10.701 -16.965 -13.437 1.00 0.00 C ATOM 818 C PHE A 52 9.574 -16.915 -12.394 1.00 0.00 C ATOM 819 O PHE A 52 8.776 -17.851 -12.289 1.00 0.00 O ATOM 820 CB PHE A 52 12.021 -17.494 -12.809 1.00 0.00 C ATOM 821 CG PHE A 52 11.911 -18.828 -12.053 1.00 0.00 C ATOM 822 CD1 PHE A 52 11.855 -20.042 -12.742 1.00 0.00 C ATOM 823 CD2 PHE A 52 11.854 -18.863 -10.654 1.00 0.00 C ATOM 824 CE1 PHE A 52 11.746 -21.242 -12.060 1.00 0.00 C ATOM 825 CE2 PHE A 52 11.750 -20.062 -9.978 1.00 0.00 C ATOM 826 CZ PHE A 52 11.691 -21.251 -10.679 1.00 0.00 C ATOM 0 H PHE A 52 11.855 -15.241 -13.815 1.00 0.00 H new ATOM 0 HA PHE A 52 10.394 -17.649 -14.228 1.00 0.00 H new ATOM 0 HB2 PHE A 52 12.760 -17.607 -13.603 1.00 0.00 H new ATOM 0 HB3 PHE A 52 12.404 -16.739 -12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.897 -20.045 -13.821 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.892 -17.939 -10.096 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.704 -22.172 -12.608 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.715 -20.071 -8.899 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.602 -22.187 -10.148 1.00 0.00 H new ATOM 836 N VAL A 53 9.530 -15.814 -11.629 1.00 0.00 N ATOM 837 CA VAL A 53 8.504 -15.594 -10.605 1.00 0.00 C ATOM 838 C VAL A 53 7.137 -15.298 -11.272 1.00 0.00 C ATOM 839 O VAL A 53 6.298 -16.203 -11.364 1.00 0.00 O ATOM 840 CB VAL A 53 8.927 -14.445 -9.608 1.00 0.00 C ATOM 841 CG1 VAL A 53 7.898 -14.256 -8.473 1.00 0.00 C ATOM 842 CG2 VAL A 53 10.337 -14.710 -9.026 1.00 0.00 C ATOM 0 H VAL A 53 10.205 -15.053 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 53 8.403 -16.505 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 53 8.955 -13.518 -10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 53 8.229 -13.456 -7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.929 -13.996 -8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.808 -15.182 -7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.606 -13.905 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.336 -15.658 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.063 -14.754 -9.838 1.00 0.00 H new ATOM 852 N ARG A 54 6.926 -14.033 -11.717 1.00 0.00 N ATOM 853 CA ARG A 54 5.688 -13.568 -12.413 1.00 0.00 C ATOM 854 C ARG A 54 4.438 -13.635 -11.482 1.00 0.00 C ATOM 855 O ARG A 54 3.308 -13.356 -11.901 1.00 0.00 O ATOM 856 CB ARG A 54 5.489 -14.377 -13.748 1.00 0.00 C ATOM 857 CG ARG A 54 4.347 -13.888 -14.685 1.00 0.00 C ATOM 858 CD ARG A 54 4.225 -14.745 -15.956 1.00 0.00 C ATOM 859 NE ARG A 54 3.150 -14.296 -16.853 1.00 0.00 N ATOM 860 CZ ARG A 54 2.974 -14.730 -18.116 1.00 0.00 C ATOM 861 NH1 ARG A 54 3.790 -15.637 -18.650 1.00 0.00 N ATOM 862 NH2 ARG A 54 1.962 -14.260 -18.834 1.00 0.00 N ATOM 0 H ARG A 54 7.618 -13.293 -11.603 1.00 0.00 H new ATOM 0 HA ARG A 54 5.808 -12.516 -12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.425 -14.352 -14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.299 -15.419 -13.492 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.402 -13.910 -14.143 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.530 -12.851 -14.965 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.172 -14.723 -16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.044 -15.782 -15.672 1.00 0.00 H new ATOM 0 HE ARG A 54 2.490 -13.606 -16.493 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.563 -16.014 -18.101 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.642 -15.955 -19.608 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.324 -13.575 -18.429 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.822 -14.584 -19.791 1.00 0.00 H new ATOM 876 N ARG A 55 4.669 -13.929 -10.194 1.00 0.00 N ATOM 877 CA ARG A 55 3.600 -14.223 -9.230 1.00 0.00 C ATOM 878 C ARG A 55 2.961 -12.932 -8.692 1.00 0.00 C ATOM 879 O ARG A 55 3.664 -12.066 -8.163 1.00 0.00 O ATOM 880 CB ARG A 55 4.160 -15.071 -8.048 1.00 0.00 C ATOM 881 CG ARG A 55 4.783 -16.426 -8.450 1.00 0.00 C ATOM 882 CD ARG A 55 3.770 -17.406 -9.068 1.00 0.00 C ATOM 883 NE ARG A 55 4.419 -18.645 -9.528 1.00 0.00 N ATOM 884 CZ ARG A 55 4.783 -19.689 -8.747 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.518 -19.700 -7.447 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.399 -20.724 -9.296 1.00 0.00 N ATOM 0 H ARG A 55 5.605 -13.970 -9.791 1.00 0.00 H new ATOM 0 HA ARG A 55 2.829 -14.792 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.914 -14.483 -7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.352 -15.256 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.588 -16.250 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.232 -16.886 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.004 -17.649 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.266 -16.927 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 55 4.612 -18.724 -10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.032 -18.912 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.801 -20.496 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.594 -20.729 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.678 -21.517 -8.718 1.00 0.00 H new ATOM 900 N ASN A 56 1.621 -12.834 -8.811 1.00 0.00 N ATOM 901 CA ASN A 56 0.814 -11.778 -8.161 1.00 0.00 C ATOM 902 C ASN A 56 0.557 -12.173 -6.677 1.00 0.00 C ATOM 903 O ASN A 56 -0.174 -11.490 -5.954 1.00 0.00 O ATOM 904 CB ASN A 56 -0.514 -11.585 -8.954 1.00 0.00 C ATOM 905 CG ASN A 56 -1.349 -10.361 -8.526 1.00 0.00 C ATOM 906 OD1 ASN A 56 -1.149 -9.237 -9.195 1.00 0.00 O flip ATOM 907 ND2 ASN A 56 -2.181 -10.431 -7.619 1.00 0.00 N flip ATOM 0 H ASN A 56 1.065 -13.487 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 56 1.346 -10.827 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.278 -11.494 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.123 -12.481 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.317 -11.309 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.734 -9.611 -7.370 1.00 0.00 H new ATOM 914 N ILE A 57 1.168 -13.313 -6.244 1.00 0.00 N ATOM 915 CA ILE A 57 1.202 -13.757 -4.840 1.00 0.00 C ATOM 916 C ILE A 57 1.915 -12.690 -3.978 1.00 0.00 C ATOM 917 O ILE A 57 3.142 -12.704 -3.823 1.00 0.00 O ATOM 918 CB ILE A 57 1.925 -15.160 -4.692 1.00 0.00 C ATOM 919 CG1 ILE A 57 1.290 -16.220 -5.655 1.00 0.00 C ATOM 920 CG2 ILE A 57 1.902 -15.664 -3.222 1.00 0.00 C ATOM 921 CD1 ILE A 57 1.958 -17.592 -5.641 1.00 0.00 C ATOM 0 H ILE A 57 1.653 -13.949 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 57 0.176 -13.879 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 57 2.968 -15.022 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.239 -16.342 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.321 -15.829 -6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.407 -16.628 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.414 -14.945 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.869 -15.773 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.446 -18.253 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.002 -17.491 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.904 -18.013 -4.637 1.00 0.00 H new ATOM 933 N ILE A 58 1.133 -11.718 -3.497 1.00 0.00 N ATOM 934 CA ILE A 58 1.618 -10.650 -2.621 1.00 0.00 C ATOM 935 C ILE A 58 1.640 -11.175 -1.176 1.00 0.00 C ATOM 936 O ILE A 58 0.688 -11.821 -0.740 1.00 0.00 O ATOM 937 CB ILE A 58 0.706 -9.376 -2.736 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.674 -8.853 -4.212 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.176 -8.267 -1.775 1.00 0.00 C ATOM 940 CD1 ILE A 58 -0.294 -7.710 -4.471 1.00 0.00 C ATOM 0 H ILE A 58 0.137 -11.651 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 58 2.624 -10.358 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.306 -9.660 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.677 -8.528 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.416 -9.683 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.526 -7.398 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.135 -8.633 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.200 -7.985 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.242 -7.420 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.308 -8.031 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.027 -6.858 -3.845 1.00 0.00 H new ATOM 952 N THR A 59 2.734 -10.925 -0.453 1.00 0.00 N ATOM 953 CA THR A 59 2.922 -11.432 0.916 1.00 0.00 C ATOM 954 C THR A 59 3.037 -10.273 1.918 1.00 0.00 C ATOM 955 O THR A 59 3.214 -9.110 1.520 1.00 0.00 O ATOM 956 CB THR A 59 4.196 -12.339 0.969 1.00 0.00 C ATOM 957 OG1 THR A 59 5.341 -11.604 0.504 1.00 0.00 O ATOM 958 CG2 THR A 59 4.037 -13.609 0.109 1.00 0.00 C ATOM 0 H THR A 59 3.516 -10.367 -0.796 1.00 0.00 H new ATOM 0 HA THR A 59 2.051 -12.026 1.195 1.00 0.00 H new ATOM 0 HB THR A 59 4.333 -12.642 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.135 -12.177 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.945 -14.209 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.190 -14.191 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.864 -13.326 -0.929 1.00 0.00 H new ATOM 966 N ARG A 60 2.924 -10.594 3.223 1.00 0.00 N ATOM 967 CA ARG A 60 3.112 -9.610 4.295 1.00 0.00 C ATOM 968 C ARG A 60 4.597 -9.228 4.391 1.00 0.00 C ATOM 969 O ARG A 60 5.470 -10.101 4.466 1.00 0.00 O ATOM 970 CB ARG A 60 2.572 -10.131 5.649 1.00 0.00 C ATOM 971 CG ARG A 60 1.031 -10.162 5.739 1.00 0.00 C ATOM 972 CD ARG A 60 0.530 -10.539 7.135 1.00 0.00 C ATOM 973 NE ARG A 60 -0.935 -10.387 7.255 1.00 0.00 N ATOM 974 CZ ARG A 60 -1.782 -11.330 7.698 1.00 0.00 C ATOM 975 NH1 ARG A 60 -1.330 -12.529 8.045 1.00 0.00 N ATOM 976 NH2 ARG A 60 -3.083 -11.075 7.784 1.00 0.00 N ATOM 0 H ARG A 60 2.702 -11.533 3.555 1.00 0.00 H new ATOM 0 HA ARG A 60 2.536 -8.717 4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.956 -11.137 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.960 -9.502 6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.635 -9.183 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.643 -10.876 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.807 -11.570 7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.022 -9.912 7.879 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.336 -9.491 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.334 -12.738 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.979 -13.241 8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.442 -10.160 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.723 -11.795 8.121 1.00 0.00 H new ATOM 990 N GLY A 61 4.859 -7.914 4.346 1.00 0.00 N ATOM 991 CA GLY A 61 6.218 -7.371 4.333 1.00 0.00 C ATOM 992 C GLY A 61 6.750 -7.145 2.925 1.00 0.00 C ATOM 993 O GLY A 61 7.853 -6.614 2.764 1.00 0.00 O ATOM 0 H GLY A 61 4.131 -7.200 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.232 -6.427 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.882 -8.054 4.862 1.00 0.00 H new ATOM 997 N ALA A 62 5.987 -7.578 1.898 1.00 0.00 N ATOM 998 CA ALA A 62 6.358 -7.369 0.487 1.00 0.00 C ATOM 999 C ALA A 62 6.032 -5.934 0.052 1.00 0.00 C ATOM 1000 O ALA A 62 5.002 -5.368 0.450 1.00 0.00 O ATOM 1001 CB ALA A 62 5.651 -8.381 -0.427 1.00 0.00 C ATOM 0 H ALA A 62 5.106 -8.077 2.024 1.00 0.00 H new ATOM 0 HA ALA A 62 7.433 -7.525 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.943 -8.203 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.936 -9.393 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.571 -8.266 -0.330 1.00 0.00 H new ATOM 1007 N VAL A 63 6.939 -5.342 -0.730 1.00 0.00 N ATOM 1008 CA VAL A 63 6.784 -3.985 -1.262 1.00 0.00 C ATOM 1009 C VAL A 63 6.059 -4.028 -2.621 1.00 0.00 C ATOM 1010 O VAL A 63 6.552 -4.630 -3.569 1.00 0.00 O ATOM 1011 CB VAL A 63 8.182 -3.287 -1.436 1.00 0.00 C ATOM 1012 CG1 VAL A 63 8.044 -1.832 -1.933 1.00 0.00 C ATOM 1013 CG2 VAL A 63 9.002 -3.343 -0.129 1.00 0.00 C ATOM 0 H VAL A 63 7.808 -5.794 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 63 6.192 -3.409 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 63 8.721 -3.844 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.034 -1.388 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.537 -1.824 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.463 -1.255 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.963 -2.852 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.456 -2.833 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.166 -4.383 0.153 1.00 0.00 H new ATOM 1023 N VAL A 64 4.890 -3.401 -2.725 1.00 0.00 N ATOM 1024 CA VAL A 64 4.206 -3.236 -4.019 1.00 0.00 C ATOM 1025 C VAL A 64 4.376 -1.796 -4.501 1.00 0.00 C ATOM 1026 O VAL A 64 4.544 -0.882 -3.692 1.00 0.00 O ATOM 1027 CB VAL A 64 2.688 -3.622 -3.955 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.512 -5.129 -3.655 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.916 -2.756 -2.934 1.00 0.00 C ATOM 0 H VAL A 64 4.391 -2.996 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 64 4.668 -3.923 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 64 2.260 -3.420 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.450 -5.371 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.989 -5.715 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.973 -5.365 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.868 -3.056 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.345 -2.894 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.989 -1.706 -3.218 1.00 0.00 H new ATOM 1039 N GLU A 65 4.366 -1.592 -5.816 1.00 0.00 N ATOM 1040 CA GLU A 65 4.451 -0.255 -6.417 1.00 0.00 C ATOM 1041 C GLU A 65 3.060 0.164 -6.885 1.00 0.00 C ATOM 1042 O GLU A 65 2.343 -0.630 -7.492 1.00 0.00 O ATOM 1043 CB GLU A 65 5.433 -0.254 -7.598 1.00 0.00 C ATOM 1044 CG GLU A 65 5.622 1.126 -8.254 1.00 0.00 C ATOM 1045 CD GLU A 65 6.500 1.076 -9.505 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.736 1.095 -9.372 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.955 1.018 -10.627 1.00 0.00 O ATOM 0 H GLU A 65 4.299 -2.347 -6.499 1.00 0.00 H new ATOM 0 HA GLU A 65 4.819 0.453 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.401 -0.616 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.080 -0.958 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.646 1.534 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.068 1.808 -7.530 1.00 0.00 H new ATOM 1054 N THR A 66 2.680 1.404 -6.571 1.00 0.00 N ATOM 1055 CA THR A 66 1.381 1.970 -6.933 1.00 0.00 C ATOM 1056 C THR A 66 1.585 3.364 -7.544 1.00 0.00 C ATOM 1057 O THR A 66 2.726 3.831 -7.706 1.00 0.00 O ATOM 1058 CB THR A 66 0.432 2.062 -5.682 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.968 2.990 -4.727 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.211 0.700 -4.991 1.00 0.00 C ATOM 0 H THR A 66 3.274 2.051 -6.052 1.00 0.00 H new ATOM 0 HA THR A 66 0.908 1.314 -7.664 1.00 0.00 H new ATOM 0 HB THR A 66 -0.535 2.404 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.911 2.781 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.452 0.829 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.240 0.003 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.168 0.305 -4.651 1.00 0.00 H new ATOM 1068 N ASN A 67 0.466 4.035 -7.863 1.00 0.00 N ATOM 1069 CA ASN A 67 0.477 5.425 -8.360 1.00 0.00 C ATOM 1070 C ASN A 67 0.720 6.421 -7.203 1.00 0.00 C ATOM 1071 O ASN A 67 0.922 7.617 -7.445 1.00 0.00 O ATOM 1072 CB ASN A 67 -0.842 5.740 -9.117 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.021 4.878 -10.377 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.056 4.504 -11.034 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.254 4.560 -10.721 1.00 0.00 N ATOM 0 H ASN A 67 -0.468 3.634 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 67 1.301 5.536 -9.064 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.688 5.579 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.853 6.793 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.421 3.990 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.040 4.884 -10.158 1.00 0.00 H new ATOM 1082 N LEU A 68 0.707 5.915 -5.949 1.00 0.00 N ATOM 1083 CA LEU A 68 1.029 6.706 -4.747 1.00 0.00 C ATOM 1084 C LEU A 68 2.501 6.494 -4.334 1.00 0.00 C ATOM 1085 O LEU A 68 3.048 7.265 -3.536 1.00 0.00 O ATOM 1086 CB LEU A 68 0.097 6.301 -3.577 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.443 6.405 -3.839 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.252 6.077 -2.562 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.847 7.789 -4.402 1.00 0.00 C ATOM 0 H LEU A 68 0.472 4.944 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 68 0.878 7.760 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.327 5.272 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.339 6.925 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.684 5.661 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.318 6.158 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.023 5.062 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.986 6.780 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.924 7.814 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.571 8.566 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.330 7.963 -5.346 1.00 0.00 H new ATOM 1101 N GLY A 69 3.126 5.442 -4.896 1.00 0.00 N ATOM 1102 CA GLY A 69 4.495 5.046 -4.557 1.00 0.00 C ATOM 1103 C GLY A 69 4.554 3.625 -4.024 1.00 0.00 C ATOM 1104 O GLY A 69 3.680 2.810 -4.318 1.00 0.00 O ATOM 0 H GLY A 69 2.690 4.845 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.127 5.129 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.898 5.731 -3.811 1.00 0.00 H new ATOM 1108 N ASN A 70 5.603 3.317 -3.261 1.00 0.00 N ATOM 1109 CA ASN A 70 5.795 1.983 -2.659 1.00 0.00 C ATOM 1110 C ASN A 70 4.956 1.815 -1.388 1.00 0.00 C ATOM 1111 O ASN A 70 4.847 2.739 -0.588 1.00 0.00 O ATOM 1112 CB ASN A 70 7.293 1.746 -2.351 1.00 0.00 C ATOM 1113 CG ASN A 70 8.164 1.637 -3.601 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.278 2.128 -3.615 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.680 0.953 -4.634 1.00 0.00 N ATOM 0 H ASN A 70 6.346 3.979 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 70 5.458 1.238 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.662 2.563 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.395 0.832 -1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.247 0.826 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.742 0.555 -4.588 1.00 0.00 H new ATOM 1122 N VAL A 71 4.349 0.626 -1.221 1.00 0.00 N ATOM 1123 CA VAL A 71 3.529 0.280 -0.043 1.00 0.00 C ATOM 1124 C VAL A 71 4.052 -1.030 0.594 1.00 0.00 C ATOM 1125 O VAL A 71 4.347 -1.989 -0.125 1.00 0.00 O ATOM 1126 CB VAL A 71 2.019 0.088 -0.476 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.085 -0.097 0.732 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.528 1.249 -1.372 1.00 0.00 C ATOM 0 H VAL A 71 4.414 -0.128 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 71 3.596 1.089 0.685 1.00 0.00 H new ATOM 0 HB VAL A 71 1.983 -0.830 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.060 -0.225 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.389 -0.979 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.143 0.782 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.487 1.080 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.611 2.189 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.139 1.297 -2.273 1.00 0.00 H new ATOM 1138 N ARG A 72 4.176 -1.059 1.939 1.00 0.00 N ATOM 1139 CA ARG A 72 4.404 -2.315 2.689 1.00 0.00 C ATOM 1140 C ARG A 72 3.040 -2.961 2.892 1.00 0.00 C ATOM 1141 O ARG A 72 2.200 -2.398 3.596 1.00 0.00 O ATOM 1142 CB ARG A 72 5.078 -2.099 4.091 1.00 0.00 C ATOM 1143 CG ARG A 72 6.623 -2.125 4.141 1.00 0.00 C ATOM 1144 CD ARG A 72 7.236 -3.387 3.498 1.00 0.00 C ATOM 1145 NE ARG A 72 8.609 -3.660 3.970 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.721 -2.958 3.674 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.682 -1.875 2.906 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.885 -3.366 4.156 1.00 0.00 N ATOM 0 H ARG A 72 4.122 -0.228 2.528 1.00 0.00 H new ATOM 0 HA ARG A 72 5.091 -2.936 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.743 -1.139 4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.705 -2.867 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.010 -1.242 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.947 -2.062 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.603 -4.246 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.246 -3.269 2.414 1.00 0.00 H new ATOM 0 HE ARG A 72 8.728 -4.465 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.793 -1.554 2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.541 -1.365 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.930 -4.200 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.736 -2.846 3.942 1.00 0.00 H new ATOM 1162 N VAL A 73 2.818 -4.125 2.293 1.00 0.00 N ATOM 1163 CA VAL A 73 1.536 -4.819 2.432 1.00 0.00 C ATOM 1164 C VAL A 73 1.549 -5.543 3.785 1.00 0.00 C ATOM 1165 O VAL A 73 2.152 -6.603 3.931 1.00 0.00 O ATOM 1166 CB VAL A 73 1.286 -5.810 1.240 1.00 0.00 C ATOM 1167 CG1 VAL A 73 -0.101 -6.479 1.328 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.459 -5.073 -0.101 1.00 0.00 C ATOM 0 H VAL A 73 3.501 -4.608 1.710 1.00 0.00 H new ATOM 0 HA VAL A 73 0.713 -4.105 2.401 1.00 0.00 H new ATOM 0 HB VAL A 73 2.026 -6.607 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.232 -7.156 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.176 -7.041 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.876 -5.713 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.284 -5.767 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.744 -4.253 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.472 -4.677 -0.170 1.00 0.00 H new ATOM 1178 N THR A 74 0.959 -4.887 4.790 1.00 0.00 N ATOM 1179 CA THR A 74 0.831 -5.418 6.152 1.00 0.00 C ATOM 1180 C THR A 74 -0.318 -6.436 6.238 1.00 0.00 C ATOM 1181 O THR A 74 -0.353 -7.285 7.135 1.00 0.00 O ATOM 1182 CB THR A 74 0.595 -4.236 7.144 1.00 0.00 C ATOM 1183 OG1 THR A 74 -0.461 -3.394 6.647 1.00 0.00 O ATOM 1184 CG2 THR A 74 1.869 -3.387 7.337 1.00 0.00 C ATOM 0 H THR A 74 0.551 -3.959 4.679 1.00 0.00 H new ATOM 0 HA THR A 74 1.751 -5.936 6.421 1.00 0.00 H new ATOM 0 HB THR A 74 0.321 -4.662 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.610 -2.653 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.663 -2.575 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.667 -4.014 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.178 -2.972 6.378 1.00 0.00 H new ATOM 1192 N SER A 75 -1.250 -6.330 5.286 1.00 0.00 N ATOM 1193 CA SER A 75 -2.377 -7.246 5.144 1.00 0.00 C ATOM 1194 C SER A 75 -2.064 -8.346 4.112 1.00 0.00 C ATOM 1195 O SER A 75 -0.916 -8.521 3.698 1.00 0.00 O ATOM 1196 CB SER A 75 -3.609 -6.434 4.724 1.00 0.00 C ATOM 1197 OG SER A 75 -3.917 -5.438 5.684 1.00 0.00 O ATOM 0 H SER A 75 -1.239 -5.592 4.582 1.00 0.00 H new ATOM 0 HA SER A 75 -2.571 -7.743 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.427 -5.966 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.463 -7.101 4.601 1.00 0.00 H new ATOM 0 HG SER A 75 -4.793 -5.626 6.081 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.095 -9.112 3.726 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.000 -10.112 2.651 1.00 0.00 C ATOM 1205 C ARG A 76 -3.768 -9.611 1.405 1.00 0.00 C ATOM 1206 O ARG A 76 -4.658 -8.757 1.535 1.00 0.00 O ATOM 1207 CB ARG A 76 -3.553 -11.464 3.155 1.00 0.00 C ATOM 1208 CG ARG A 76 -2.710 -12.100 4.276 1.00 0.00 C ATOM 1209 CD ARG A 76 -3.196 -13.501 4.673 1.00 0.00 C ATOM 1210 NE ARG A 76 -2.266 -14.155 5.611 1.00 0.00 N ATOM 1211 CZ ARG A 76 -2.308 -15.449 5.971 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -3.244 -16.262 5.495 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -1.395 -15.924 6.807 1.00 0.00 N ATOM 0 H ARG A 76 -4.020 -9.056 4.151 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.958 -10.258 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.571 -11.318 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.609 -12.158 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.671 -12.161 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.733 -11.452 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.183 -13.428 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.304 -14.116 3.779 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.531 -13.578 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.946 -15.907 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.261 -17.242 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.668 -15.308 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.420 -16.905 7.085 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.426 -10.107 0.173 1.00 0.00 N ATOM 1228 CA PRO A 77 -4.132 -9.704 -1.057 1.00 0.00 C ATOM 1229 C PRO A 77 -5.560 -10.297 -1.125 1.00 0.00 C ATOM 1230 O PRO A 77 -5.760 -11.479 -0.849 1.00 0.00 O ATOM 1231 CB PRO A 77 -3.219 -10.238 -2.188 1.00 0.00 C ATOM 1232 CG PRO A 77 -2.533 -11.419 -1.581 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.324 -11.067 -0.121 1.00 0.00 C ATOM 0 HA PRO A 77 -4.289 -8.627 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.798 -10.522 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.502 -9.483 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.139 -12.319 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.582 -11.617 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.382 -11.950 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.346 -10.617 0.046 1.00 0.00 H new ATOM 1241 N GLY A 78 -6.553 -9.440 -1.443 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.942 -9.871 -1.657 1.00 0.00 C ATOM 1243 C GLY A 78 -8.682 -10.260 -0.383 1.00 0.00 C ATOM 1244 O GLY A 78 -9.775 -10.838 -0.463 1.00 0.00 O ATOM 0 H GLY A 78 -6.411 -8.436 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.488 -9.066 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.945 -10.721 -2.339 1.00 0.00 H new ATOM 1248 N GLN A 79 -8.101 -9.928 0.791 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.737 -10.208 2.085 1.00 0.00 C ATOM 1250 C GLN A 79 -9.887 -9.218 2.293 1.00 0.00 C ATOM 1251 O GLN A 79 -9.741 -8.032 1.974 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.735 -10.127 3.263 1.00 0.00 C ATOM 1253 CG GLN A 79 -7.197 -8.715 3.603 1.00 0.00 C ATOM 1254 CD GLN A 79 -6.469 -8.638 4.946 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.761 -9.700 5.332 1.00 0.00 O flip ATOM 1256 NE2 GLN A 79 -6.511 -7.611 5.621 1.00 0.00 N flip ATOM 0 H GLN A 79 -7.194 -9.467 0.863 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.115 -11.230 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.217 -10.534 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.886 -10.772 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.517 -8.396 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.030 -8.011 3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.061 -6.813 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.996 -7.557 6.500 1.00 0.00 H new ATOM 1265 N ASP A 80 -11.057 -9.733 2.731 1.00 0.00 N ATOM 1266 CA ASP A 80 -12.279 -8.918 2.968 1.00 0.00 C ATOM 1267 C ASP A 80 -12.870 -8.364 1.629 1.00 0.00 C ATOM 1268 O ASP A 80 -13.949 -7.772 1.617 1.00 0.00 O ATOM 1269 CB ASP A 80 -11.965 -7.790 4.007 1.00 0.00 C ATOM 1270 CG ASP A 80 -13.170 -6.949 4.446 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -13.995 -7.434 5.254 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -13.297 -5.794 4.001 1.00 0.00 O ATOM 0 H ASP A 80 -11.185 -10.725 2.931 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.056 -9.554 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.520 -8.247 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.215 -7.125 3.580 1.00 0.00 H new ATOM 1277 N GLY A 81 -12.175 -8.624 0.495 1.00 0.00 N ATOM 1278 CA GLY A 81 -12.593 -8.172 -0.827 1.00 0.00 C ATOM 1279 C GLY A 81 -11.558 -7.308 -1.535 1.00 0.00 C ATOM 1280 O GLY A 81 -11.686 -7.081 -2.741 1.00 0.00 O ATOM 0 H GLY A 81 -11.306 -9.157 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.812 -9.042 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.520 -7.607 -0.732 1.00 0.00 H new ATOM 1284 N VAL A 82 -10.532 -6.812 -0.813 1.00 0.00 N ATOM 1285 CA VAL A 82 -9.487 -5.942 -1.413 1.00 0.00 C ATOM 1286 C VAL A 82 -8.116 -6.136 -0.709 1.00 0.00 C ATOM 1287 O VAL A 82 -8.043 -6.707 0.380 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.954 -4.429 -1.359 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -10.060 -3.913 0.091 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.071 -3.495 -2.223 1.00 0.00 C ATOM 0 H VAL A 82 -10.401 -6.995 0.182 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.352 -6.228 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.953 -4.407 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.383 -2.872 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -10.785 -4.514 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.087 -3.988 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.440 -2.472 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.041 -3.537 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.110 -3.817 -3.264 1.00 0.00 H new ATOM 1300 N ILE A 83 -7.032 -5.672 -1.354 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.672 -5.687 -0.778 1.00 0.00 C ATOM 1302 C ILE A 83 -5.510 -4.442 0.109 1.00 0.00 C ATOM 1303 O ILE A 83 -6.156 -3.425 -0.148 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.577 -5.701 -1.914 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.962 -6.750 -3.008 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -3.160 -5.973 -1.340 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.938 -6.969 -4.092 1.00 0.00 C ATOM 0 H ILE A 83 -7.072 -5.274 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.537 -6.591 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.544 -4.713 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.155 -7.704 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.896 -6.436 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.433 -5.975 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.902 -5.193 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.149 -6.942 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.307 -7.715 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.759 -6.031 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.007 -7.320 -3.647 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.694 -4.527 1.173 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.483 -3.401 2.115 1.00 0.00 C ATOM 1321 C ASN A 84 -2.995 -3.323 2.528 1.00 0.00 C ATOM 1322 O ASN A 84 -2.296 -4.343 2.518 1.00 0.00 O ATOM 1323 CB ASN A 84 -5.384 -3.572 3.371 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.892 -3.665 3.084 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -7.600 -2.658 3.074 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.387 -4.874 2.854 1.00 0.00 N ATOM 0 H ASN A 84 -4.164 -5.366 1.408 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.756 -2.471 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.075 -4.473 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.209 -2.731 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.382 -4.990 2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.773 -5.688 2.870 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.524 -2.114 2.889 1.00 0.00 N ATOM 1334 CA GLY A 85 -1.130 -1.911 3.313 1.00 0.00 C ATOM 1335 C GLY A 85 -0.875 -0.514 3.888 1.00 0.00 C ATOM 1336 O GLY A 85 -1.821 0.235 4.125 1.00 0.00 O ATOM 0 H GLY A 85 -3.090 -1.265 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.872 -2.659 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.470 -2.073 2.461 1.00 0.00 H new ATOM 1340 N VAL A 86 0.413 -0.171 4.115 1.00 0.00 N ATOM 1341 CA VAL A 86 0.843 1.150 4.651 1.00 0.00 C ATOM 1342 C VAL A 86 1.897 1.806 3.726 1.00 0.00 C ATOM 1343 O VAL A 86 2.816 1.125 3.260 1.00 0.00 O ATOM 1344 CB VAL A 86 1.408 1.040 6.125 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.297 0.670 7.140 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.580 0.034 6.206 1.00 0.00 C ATOM 0 H VAL A 86 1.192 -0.804 3.932 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.045 1.782 4.682 1.00 0.00 H new ATOM 0 HB VAL A 86 1.788 2.025 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.725 0.604 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.478 1.436 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.139 -0.291 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.945 -0.018 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.236 -0.952 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.387 0.362 5.550 1.00 0.00 H new ATOM 1356 N LEU A 87 1.767 3.130 3.464 1.00 0.00 N ATOM 1357 CA LEU A 87 2.642 3.837 2.497 1.00 0.00 C ATOM 1358 C LEU A 87 4.079 4.021 3.055 1.00 0.00 C ATOM 1359 O LEU A 87 4.268 4.544 4.157 1.00 0.00 O ATOM 1360 CB LEU A 87 2.032 5.213 2.099 1.00 0.00 C ATOM 1361 CG LEU A 87 2.677 5.933 0.854 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.674 5.032 -0.404 1.00 0.00 C ATOM 1363 CD2 LEU A 87 1.956 7.265 0.541 1.00 0.00 C ATOM 0 H LEU A 87 1.068 3.727 3.907 1.00 0.00 H new ATOM 0 HA LEU A 87 2.708 3.216 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.970 5.071 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.108 5.881 2.957 1.00 0.00 H new ATOM 0 HG LEU A 87 3.713 6.143 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.128 5.569 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.244 4.125 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.648 4.767 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.424 7.738 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.906 7.068 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.029 7.929 1.402 1.00 0.00 H new ATOM 1375 N ILE A 88 5.071 3.581 2.262 1.00 0.00 N ATOM 1376 CA ILE A 88 6.518 3.705 2.568 1.00 0.00 C ATOM 1377 C ILE A 88 7.202 4.559 1.482 1.00 0.00 C ATOM 1378 O ILE A 88 6.593 4.873 0.448 1.00 0.00 O ATOM 1379 CB ILE A 88 7.204 2.292 2.669 1.00 0.00 C ATOM 1380 CG1 ILE A 88 6.950 1.488 1.358 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.714 1.520 3.912 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.344 0.026 1.365 1.00 0.00 C ATOM 0 H ILE A 88 4.892 3.119 1.371 1.00 0.00 H new ATOM 0 HA ILE A 88 6.627 4.194 3.536 1.00 0.00 H new ATOM 0 HB ILE A 88 8.279 2.431 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.888 1.552 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.488 1.981 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.206 0.548 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.955 2.088 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.635 1.378 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.116 -0.417 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.413 -0.062 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.788 -0.497 2.143 1.00 0.00 H new ATOM 1394 N ARG A 89 8.478 4.936 1.718 1.00 0.00 N ATOM 1395 CA ARG A 89 9.189 5.936 0.879 1.00 0.00 C ATOM 1396 C ARG A 89 10.432 5.297 0.207 1.00 0.00 C ATOM 1397 O ARG A 89 11.317 6.029 -0.245 1.00 0.00 O ATOM 1398 CB ARG A 89 9.638 7.168 1.756 1.00 0.00 C ATOM 1399 CG ARG A 89 8.712 7.526 2.940 1.00 0.00 C ATOM 1400 CD ARG A 89 7.287 7.947 2.534 1.00 0.00 C ATOM 1401 NE ARG A 89 6.386 7.936 3.705 1.00 0.00 N ATOM 1402 CZ ARG A 89 5.042 8.035 3.658 1.00 0.00 C ATOM 1403 NH1 ARG A 89 4.416 8.232 2.509 1.00 0.00 N ATOM 1404 NH2 ARG A 89 4.329 7.960 4.769 1.00 0.00 N ATOM 0 H ARG A 89 9.041 4.564 2.483 1.00 0.00 H new ATOM 0 HA ARG A 89 8.503 6.279 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.635 6.967 2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.720 8.040 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.647 6.666 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.168 8.336 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.308 8.944 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.906 7.270 1.769 1.00 0.00 H new ATOM 0 HE ARG A 89 6.816 7.846 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.951 8.311 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.399 8.305 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.795 7.827 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.313 8.035 4.729 1.00 0.00 H new ATOM 1418 N GLU A 90 10.447 3.939 0.122 1.00 0.00 N ATOM 1419 CA GLU A 90 11.664 3.124 -0.185 1.00 0.00 C ATOM 1420 C GLU A 90 12.433 3.599 -1.430 1.00 0.00 C ATOM 1421 O GLU A 90 13.493 4.225 -1.303 1.00 0.00 O ATOM 1422 CB GLU A 90 11.289 1.620 -0.338 1.00 0.00 C ATOM 1423 CG GLU A 90 10.585 0.998 0.873 1.00 0.00 C ATOM 1424 CD GLU A 90 11.397 1.017 2.180 1.00 0.00 C ATOM 1425 OE1 GLU A 90 11.327 2.015 2.922 1.00 0.00 O ATOM 1426 OE2 GLU A 90 12.090 0.019 2.473 1.00 0.00 O ATOM 0 H GLU A 90 9.611 3.372 0.265 1.00 0.00 H new ATOM 0 HA GLU A 90 12.334 3.260 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.644 1.509 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.198 1.054 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.646 1.526 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.332 -0.035 0.636 1.00 0.00 H new ATOM 1433 N LEU A 91 11.900 3.295 -2.625 1.00 0.00 N ATOM 1434 CA LEU A 91 12.542 3.667 -3.885 1.00 0.00 C ATOM 1435 C LEU A 91 12.272 5.152 -4.144 1.00 0.00 C ATOM 1436 O LEU A 91 11.187 5.511 -4.625 1.00 0.00 O ATOM 1437 CB LEU A 91 12.035 2.778 -5.059 1.00 0.00 C ATOM 1438 CG LEU A 91 12.118 1.233 -4.836 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.629 0.453 -6.077 1.00 0.00 C ATOM 1440 CD2 LEU A 91 13.534 0.786 -4.415 1.00 0.00 C ATOM 0 H LEU A 91 11.021 2.790 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 91 13.617 3.502 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.997 3.040 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.609 3.027 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 91 11.446 0.995 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 91 11.701 -0.618 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.592 0.715 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.249 0.710 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.547 -0.294 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.247 1.056 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.809 1.280 -3.483 1.00 0.00 H new ATOM 1452 N GLU A 92 13.229 6.004 -3.725 1.00 0.00 N ATOM 1453 CA GLU A 92 13.168 7.449 -3.970 1.00 0.00 C ATOM 1454 C GLU A 92 13.165 7.712 -5.482 1.00 0.00 C ATOM 1455 O GLU A 92 14.224 7.654 -6.127 1.00 0.00 O ATOM 1456 CB GLU A 92 14.356 8.194 -3.311 1.00 0.00 C ATOM 1457 CG GLU A 92 14.340 8.246 -1.777 1.00 0.00 C ATOM 1458 CD GLU A 92 15.366 9.252 -1.218 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.221 10.464 -1.501 1.00 0.00 O ATOM 1460 OE2 GLU A 92 16.335 8.846 -0.547 1.00 0.00 O ATOM 0 H GLU A 92 14.059 5.707 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 92 12.249 7.828 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.282 7.717 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.376 9.216 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.342 8.519 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.553 7.254 -1.379 1.00 0.00 H new ATOM 1467 N HIS A 93 11.960 7.950 -6.034 1.00 0.00 N ATOM 1468 CA HIS A 93 11.767 8.189 -7.459 1.00 0.00 C ATOM 1469 C HIS A 93 12.241 9.613 -7.787 1.00 0.00 C ATOM 1470 O HIS A 93 11.443 10.558 -7.833 1.00 0.00 O ATOM 1471 CB HIS A 93 10.274 7.959 -7.845 1.00 0.00 C ATOM 1472 CG HIS A 93 10.024 7.847 -9.334 1.00 0.00 C ATOM 1473 ND1 HIS A 93 9.556 6.697 -9.930 1.00 0.00 N ATOM 1474 CD2 HIS A 93 10.171 8.743 -10.345 1.00 0.00 C ATOM 1475 CE1 HIS A 93 9.442 6.888 -11.228 1.00 0.00 C ATOM 1476 NE2 HIS A 93 9.806 8.120 -11.503 1.00 0.00 N ATOM 0 H HIS A 93 11.096 7.980 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 93 12.357 7.487 -8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.922 7.048 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 93 9.678 8.782 -7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 93 10.514 9.763 -10.249 1.00 0.00 H new ATOM 0 HE1 HIS A 93 9.106 6.155 -11.946 1.00 0.00 H new ATOM 0 HE2 HIS A 93 9.814 8.542 -12.431 1.00 0.00 H new ATOM 1485 N HIS A 94 13.567 9.756 -7.942 1.00 0.00 N ATOM 1486 CA HIS A 94 14.204 11.020 -8.310 1.00 0.00 C ATOM 1487 C HIS A 94 13.983 11.250 -9.813 1.00 0.00 C ATOM 1488 O HIS A 94 14.670 10.647 -10.643 1.00 0.00 O ATOM 1489 CB HIS A 94 15.719 10.995 -7.983 1.00 0.00 C ATOM 1490 CG HIS A 94 16.064 10.799 -6.525 1.00 0.00 C ATOM 1491 ND1 HIS A 94 16.909 9.807 -6.074 1.00 0.00 N ATOM 1492 CD2 HIS A 94 15.719 11.513 -5.426 1.00 0.00 C ATOM 1493 CE1 HIS A 94 17.065 9.922 -4.770 1.00 0.00 C ATOM 1494 NE2 HIS A 94 16.354 10.947 -4.351 1.00 0.00 N ATOM 0 H HIS A 94 14.227 8.989 -7.813 1.00 0.00 H new ATOM 0 HA HIS A 94 13.761 11.834 -7.736 1.00 0.00 H new ATOM 0 HB2 HIS A 94 16.185 10.196 -8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 94 16.162 11.932 -8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.064 12.371 -5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 94 17.674 9.282 -4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.286 11.268 -3.385 1.00 0.00 H new ATOM 1503 N HIS A 95 12.989 12.077 -10.157 1.00 0.00 N ATOM 1504 CA HIS A 95 12.611 12.334 -11.554 1.00 0.00 C ATOM 1505 C HIS A 95 13.322 13.607 -12.058 1.00 0.00 C ATOM 1506 O HIS A 95 12.693 14.650 -12.268 1.00 0.00 O ATOM 1507 CB HIS A 95 11.061 12.419 -11.662 1.00 0.00 C ATOM 1508 CG HIS A 95 10.533 12.449 -13.078 1.00 0.00 C ATOM 1509 ND1 HIS A 95 10.711 11.409 -13.966 1.00 0.00 N ATOM 1510 CD2 HIS A 95 9.836 13.395 -13.755 1.00 0.00 C ATOM 1511 CE1 HIS A 95 10.156 11.719 -15.118 1.00 0.00 C ATOM 1512 NE2 HIS A 95 9.617 12.914 -15.016 1.00 0.00 N ATOM 0 H HIS A 95 12.424 12.587 -9.477 1.00 0.00 H new ATOM 0 HA HIS A 95 12.934 11.516 -12.198 1.00 0.00 H new ATOM 0 HB2 HIS A 95 10.626 11.565 -11.143 1.00 0.00 H new ATOM 0 HB3 HIS A 95 10.722 13.315 -11.142 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.514 14.351 -13.370 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.145 11.096 -16.000 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.116 13.403 -15.758 1.00 0.00 H new ATOM 1521 N HIS A 96 14.661 13.488 -12.190 1.00 0.00 N ATOM 1522 CA HIS A 96 15.569 14.572 -12.616 1.00 0.00 C ATOM 1523 C HIS A 96 15.479 15.803 -11.682 1.00 0.00 C ATOM 1524 O HIS A 96 14.803 16.795 -11.977 1.00 0.00 O ATOM 1525 CB HIS A 96 15.353 14.946 -14.112 1.00 0.00 C ATOM 1526 CG HIS A 96 15.757 13.862 -15.088 1.00 0.00 C ATOM 1527 ND1 HIS A 96 14.958 13.425 -16.121 1.00 0.00 N ATOM 1528 CD2 HIS A 96 16.903 13.134 -15.185 1.00 0.00 C ATOM 1529 CE1 HIS A 96 15.588 12.491 -16.800 1.00 0.00 C ATOM 1530 NE2 HIS A 96 16.769 12.296 -16.256 1.00 0.00 N ATOM 0 H HIS A 96 15.151 12.614 -11.998 1.00 0.00 H new ATOM 0 HA HIS A 96 16.588 14.194 -12.530 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.301 15.185 -14.267 1.00 0.00 H new ATOM 0 HB3 HIS A 96 15.921 15.849 -14.334 1.00 0.00 H new ATOM 0 HD2 HIS A 96 17.762 13.206 -14.534 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.199 11.970 -17.662 1.00 0.00 H new ATOM 0 HE2 HIS A 96 17.470 11.629 -16.580 1.00 0.00 H new ATOM 1539 N HIS A 97 16.127 15.680 -10.513 1.00 0.00 N ATOM 1540 CA HIS A 97 16.230 16.759 -9.487 1.00 0.00 C ATOM 1541 C HIS A 97 17.662 16.795 -8.928 1.00 0.00 C ATOM 1542 O HIS A 97 18.417 15.842 -9.138 1.00 0.00 O ATOM 1543 CB HIS A 97 15.222 16.534 -8.322 1.00 0.00 C ATOM 1544 CG HIS A 97 13.770 16.690 -8.699 1.00 0.00 C ATOM 1545 ND1 HIS A 97 13.097 17.895 -8.637 1.00 0.00 N ATOM 1546 CD2 HIS A 97 12.865 15.791 -9.165 1.00 0.00 C ATOM 1547 CE1 HIS A 97 11.855 17.723 -9.026 1.00 0.00 C ATOM 1548 NE2 HIS A 97 11.689 16.460 -9.358 1.00 0.00 N ATOM 0 H HIS A 97 16.604 14.821 -10.239 1.00 0.00 H new ATOM 0 HA HIS A 97 15.988 17.709 -9.964 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.372 15.532 -7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 97 15.452 17.237 -7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 97 13.042 14.742 -9.349 1.00 0.00 H new ATOM 0 HE1 HIS A 97 11.096 18.490 -9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.823 16.047 -9.704 1.00 0.00 H new ATOM 1557 N HIS A 98 18.001 17.888 -8.201 1.00 0.00 N ATOM 1558 CA HIS A 98 19.328 18.083 -7.555 1.00 0.00 C ATOM 1559 C HIS A 98 20.477 18.035 -8.600 1.00 0.00 C ATOM 1560 O HIS A 98 21.152 16.994 -8.745 1.00 0.00 O ATOM 1561 CB HIS A 98 19.547 17.056 -6.390 1.00 0.00 C ATOM 1562 CG HIS A 98 18.691 17.293 -5.173 1.00 0.00 C ATOM 1563 ND1 HIS A 98 19.163 17.919 -4.043 1.00 0.00 N ATOM 1564 CD2 HIS A 98 17.399 16.969 -4.907 1.00 0.00 C ATOM 1565 CE1 HIS A 98 18.208 17.979 -3.143 1.00 0.00 C ATOM 1566 NE2 HIS A 98 17.124 17.414 -3.640 1.00 0.00 N ATOM 1567 OXT HIS A 98 20.661 19.036 -9.315 1.00 0.00 O ATOM 0 H HIS A 98 17.359 18.665 -8.044 1.00 0.00 H new ATOM 0 HA HIS A 98 19.343 19.079 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 98 19.349 16.052 -6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 98 20.595 17.084 -6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 98 16.717 16.457 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 98 18.295 18.418 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 98 16.228 17.323 -3.160 1.00 0.00 H new TER 1576 HIS A 98