USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 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 86 THR OG1 : rot 91:sc= 1.2 USER MOD Set 1.2: A 90 GLN : amide:sc= 2.97 K(o=4.2,f=-0.72) USER MOD Set 2.1: A 13 HIS : no HE2:sc= 0.832 K(o=0.59,f=-5.5!) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.24 K(o=0.59,f=0.02) USER MOD Set 3.1: A 40 GLN : amide:sc= -4.66! K(o=-4.1!,f=0.2) USER MOD Set 3.2: A 44 SER OG : rot 70:sc= 0.57 USER MOD Set 4.1: A 21 SER OG : rot 171:sc= 0.668 USER MOD Set 4.2: A 32 SER OG : rot -89:sc= 0.728 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0432 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0.919 K(o=0.92,f=-0.094) USER MOD Single : A 7 HIS : no HD1:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -150:sc= 1.02 USER MOD Single : A 10 GLN : amide:sc= -4.9! K(o=-4.9!,f=-0.78) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= 1.6 (180deg=-1.77!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -70:sc= -4.2! USER MOD Single : A 27 ASN : amide:sc= -5.48! C(o=-5.5!,f=-5.2!) USER MOD Single : A 33 TYR OH : rot 110:sc= -1.04 USER MOD Single : A 34 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.81) USER MOD Single : A 37 SER OG : rot 87:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.8!) USER MOD Single : A 59 HIS : no HE2:sc= 0.812 K(o=1.1,f=-6.5!) USER MOD Single : A 62 GLN : amide:sc= -3.19! K(o=-3.2!,f=-0.65) USER MOD Single : A 67 MET CE :methyl -119:sc= -0.101 (180deg=-0.502) USER MOD Single : A 70 HIS : no HD1:sc= 0.49 K(o=0.49,f=-9.3!) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.27) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.14) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0203) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc=-0.00581 (180deg=-0.117) USER MOD Single : A 94 SER OG : rot 180:sc=-0.00792 USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.612 USER MOD Single : A 98 GLN : amide:sc= 1.02 K(o=1,f=-0.046) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.513 3.420 5.718 1.00 0.00 N ATOM 2 CA GLY A 1 -19.629 4.047 4.975 1.00 0.00 C ATOM 3 C GLY A 1 -19.163 5.186 4.097 1.00 0.00 C ATOM 4 O GLY A 1 -17.977 5.286 3.771 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.634 2.387 5.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.611 3.663 5.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.509 3.769 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.121 3.294 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.372 4.416 5.682 1.00 0.00 H new ATOM 10 N SER A 2 -20.096 6.037 3.695 1.00 0.00 N ATOM 11 CA SER A 2 -19.774 7.201 2.889 1.00 0.00 C ATOM 12 C SER A 2 -20.550 8.416 3.385 1.00 0.00 C ATOM 13 O SER A 2 -21.699 8.297 3.811 1.00 0.00 O ATOM 14 CB SER A 2 -20.090 6.932 1.413 1.00 0.00 C ATOM 15 OG SER A 2 -19.337 5.834 0.925 1.00 0.00 O ATOM 0 H SER A 2 -21.087 5.940 3.917 1.00 0.00 H new ATOM 0 HA SER A 2 -18.708 7.406 2.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.154 6.728 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.869 7.821 0.822 1.00 0.00 H new ATOM 0 HG SER A 2 -19.556 5.680 -0.018 1.00 0.00 H new ATOM 21 N GLU A 3 -19.909 9.574 3.359 1.00 0.00 N ATOM 22 CA GLU A 3 -20.553 10.806 3.786 1.00 0.00 C ATOM 23 C GLU A 3 -20.475 11.873 2.699 1.00 0.00 C ATOM 24 O GLU A 3 -21.492 12.461 2.336 1.00 0.00 O ATOM 25 CB GLU A 3 -19.941 11.308 5.110 1.00 0.00 C ATOM 26 CG GLU A 3 -18.435 11.090 5.254 1.00 0.00 C ATOM 27 CD GLU A 3 -17.593 12.129 4.540 1.00 0.00 C ATOM 28 OE1 GLU A 3 -17.552 13.295 4.990 1.00 0.00 O ATOM 29 OE2 GLU A 3 -16.976 11.780 3.513 1.00 0.00 O ATOM 0 H GLU A 3 -18.944 9.686 3.047 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.608 10.595 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.149 12.374 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.445 10.809 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.177 11.093 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.182 10.103 4.867 1.00 0.00 H new ATOM 36 N LYS A 4 -19.274 12.100 2.171 1.00 0.00 N ATOM 37 CA LYS A 4 -19.045 13.164 1.197 1.00 0.00 C ATOM 38 C LYS A 4 -19.528 14.488 1.780 1.00 0.00 C ATOM 39 O LYS A 4 -20.170 15.299 1.106 1.00 0.00 O ATOM 40 CB LYS A 4 -19.738 12.864 -0.140 1.00 0.00 C ATOM 41 CG LYS A 4 -19.243 11.585 -0.800 1.00 0.00 C ATOM 42 CD LYS A 4 -19.754 11.447 -2.226 1.00 0.00 C ATOM 43 CE LYS A 4 -19.278 10.146 -2.858 1.00 0.00 C ATOM 44 NZ LYS A 4 -19.540 10.100 -4.321 1.00 0.00 N ATOM 0 H LYS A 4 -18.441 11.558 2.403 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.977 13.228 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.813 12.787 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.579 13.701 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.153 11.576 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.567 10.725 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.844 11.479 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.409 12.292 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.209 10.027 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.778 9.306 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.199 9.196 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.562 10.186 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.043 10.885 -4.788 1.00 0.00 H new ATOM 58 N ARG A 5 -19.222 14.676 3.057 1.00 0.00 N ATOM 59 CA ARG A 5 -19.653 15.850 3.793 1.00 0.00 C ATOM 60 C ARG A 5 -18.462 16.757 4.041 1.00 0.00 C ATOM 61 O ARG A 5 -18.450 17.918 3.633 1.00 0.00 O ATOM 62 CB ARG A 5 -20.259 15.432 5.134 1.00 0.00 C ATOM 63 CG ARG A 5 -21.186 16.472 5.735 1.00 0.00 C ATOM 64 CD ARG A 5 -22.562 16.399 5.101 1.00 0.00 C ATOM 65 NE ARG A 5 -23.207 15.115 5.373 1.00 0.00 N ATOM 66 CZ ARG A 5 -24.047 14.500 4.539 1.00 0.00 C ATOM 67 NH1 ARG A 5 -24.286 15.004 3.334 1.00 0.00 N ATOM 68 NH2 ARG A 5 -24.613 13.354 4.899 1.00 0.00 N ATOM 0 H ARG A 5 -18.669 14.019 3.608 1.00 0.00 H new ATOM 0 HA ARG A 5 -20.405 16.381 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.810 14.501 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.453 15.226 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -21.268 16.315 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -20.766 17.467 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -23.184 17.209 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -22.476 16.544 4.024 1.00 0.00 H new ATOM 0 HE ARG A 5 -23.000 14.658 6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -23.826 15.866 3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -24.929 14.529 2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -24.405 12.947 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -25.256 12.881 4.264 1.00 0.00 H new ATOM 82 N GLN A 6 -17.463 16.206 4.718 1.00 0.00 N ATOM 83 CA GLN A 6 -16.241 16.932 5.035 1.00 0.00 C ATOM 84 C GLN A 6 -15.020 16.091 4.704 1.00 0.00 C ATOM 85 O GLN A 6 -13.985 16.616 4.304 1.00 0.00 O ATOM 86 CB GLN A 6 -16.212 17.325 6.512 1.00 0.00 C ATOM 87 CG GLN A 6 -17.244 18.373 6.887 1.00 0.00 C ATOM 88 CD GLN A 6 -16.942 19.738 6.298 1.00 0.00 C ATOM 89 OE1 GLN A 6 -16.260 20.555 6.914 1.00 0.00 O ATOM 90 NE2 GLN A 6 -17.437 19.994 5.101 1.00 0.00 N ATOM 0 H GLN A 6 -17.477 15.246 5.062 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.222 17.838 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.375 16.434 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.219 17.701 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -18.227 18.046 6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.293 18.455 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.999 19.291 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.258 20.895 4.657 1.00 0.00 H new ATOM 99 N HIS A 7 -15.148 14.776 4.849 1.00 0.00 N ATOM 100 CA HIS A 7 -14.038 13.881 4.569 1.00 0.00 C ATOM 101 C HIS A 7 -14.124 13.407 3.125 1.00 0.00 C ATOM 102 O HIS A 7 -13.910 12.233 2.819 1.00 0.00 O ATOM 103 CB HIS A 7 -14.035 12.683 5.530 1.00 0.00 C ATOM 104 CG HIS A 7 -12.678 12.060 5.714 1.00 0.00 C ATOM 105 ND1 HIS A 7 -12.324 11.341 6.837 1.00 0.00 N ATOM 106 CD2 HIS A 7 -11.585 12.057 4.913 1.00 0.00 C ATOM 107 CE1 HIS A 7 -11.075 10.927 6.718 1.00 0.00 C ATOM 108 NE2 HIS A 7 -10.606 11.346 5.560 1.00 0.00 N ATOM 0 H HIS A 7 -16.003 14.312 5.156 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.104 14.423 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -14.412 13.006 6.501 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -14.725 11.927 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.500 12.527 3.944 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.531 10.344 7.446 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.667 11.170 5.202 1.00 0.00 H new ATOM 117 N SER A 8 -14.461 14.335 2.243 1.00 0.00 N ATOM 118 CA SER A 8 -14.513 14.060 0.824 1.00 0.00 C ATOM 119 C SER A 8 -13.094 13.985 0.287 1.00 0.00 C ATOM 120 O SER A 8 -12.425 15.002 0.108 1.00 0.00 O ATOM 121 CB SER A 8 -15.311 15.155 0.123 1.00 0.00 C ATOM 122 OG SER A 8 -16.518 15.407 0.824 1.00 0.00 O ATOM 0 H SER A 8 -14.704 15.293 2.493 1.00 0.00 H new ATOM 0 HA SER A 8 -15.009 13.107 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.718 16.068 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.533 14.855 -0.901 1.00 0.00 H new ATOM 0 HG SER A 8 -17.021 16.113 0.366 1.00 0.00 H new ATOM 128 N SER A 9 -12.646 12.757 0.067 1.00 0.00 N ATOM 129 CA SER A 9 -11.264 12.474 -0.273 1.00 0.00 C ATOM 130 C SER A 9 -10.846 13.178 -1.550 1.00 0.00 C ATOM 131 O SER A 9 -9.817 13.845 -1.590 1.00 0.00 O ATOM 132 CB SER A 9 -11.079 10.969 -0.433 1.00 0.00 C ATOM 133 OG SER A 9 -11.807 10.263 0.556 1.00 0.00 O ATOM 0 H SER A 9 -13.236 11.927 0.120 1.00 0.00 H new ATOM 0 HA SER A 9 -10.634 12.846 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.411 10.661 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.021 10.719 -0.360 1.00 0.00 H new ATOM 0 HG SER A 9 -11.349 9.421 0.761 1.00 0.00 H new ATOM 139 N GLN A 10 -11.653 12.984 -2.595 1.00 0.00 N ATOM 140 CA GLN A 10 -11.410 13.532 -3.935 1.00 0.00 C ATOM 141 C GLN A 10 -10.226 12.839 -4.597 1.00 0.00 C ATOM 142 O GLN A 10 -10.131 12.765 -5.821 1.00 0.00 O ATOM 143 CB GLN A 10 -11.217 15.049 -3.872 1.00 0.00 C ATOM 144 CG GLN A 10 -12.407 15.766 -3.247 1.00 0.00 C ATOM 145 CD GLN A 10 -13.606 15.893 -4.182 1.00 0.00 C ATOM 146 OE1 GLN A 10 -14.405 16.815 -4.052 1.00 0.00 O ATOM 147 NE2 GLN A 10 -13.730 14.991 -5.142 1.00 0.00 N ATOM 0 H GLN A 10 -12.509 12.433 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.287 13.338 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.319 15.274 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.054 15.433 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.713 15.229 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.096 16.762 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.049 14.236 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.507 15.051 -5.800 1.00 0.00 H new ATOM 156 N ASP A 11 -9.366 12.300 -3.758 1.00 0.00 N ATOM 157 CA ASP A 11 -8.197 11.554 -4.173 1.00 0.00 C ATOM 158 C ASP A 11 -7.518 10.960 -2.954 1.00 0.00 C ATOM 159 O ASP A 11 -7.312 11.652 -1.953 1.00 0.00 O ATOM 160 CB ASP A 11 -7.202 12.451 -4.920 1.00 0.00 C ATOM 161 CG ASP A 11 -5.780 11.907 -4.885 1.00 0.00 C ATOM 162 OD1 ASP A 11 -5.465 10.996 -5.674 1.00 0.00 O ATOM 163 OD2 ASP A 11 -4.964 12.406 -4.076 1.00 0.00 O ATOM 0 H ASP A 11 -9.463 12.370 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.520 10.762 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.521 12.556 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.216 13.448 -4.480 1.00 0.00 H new ATOM 168 N VAL A 12 -7.218 9.676 -3.022 1.00 0.00 N ATOM 169 CA VAL A 12 -6.425 9.024 -1.999 1.00 0.00 C ATOM 170 C VAL A 12 -5.420 8.087 -2.635 1.00 0.00 C ATOM 171 O VAL A 12 -5.687 7.460 -3.664 1.00 0.00 O ATOM 172 CB VAL A 12 -7.266 8.215 -0.982 1.00 0.00 C ATOM 173 CG1 VAL A 12 -8.223 9.109 -0.218 1.00 0.00 C ATOM 174 CG2 VAL A 12 -8.015 7.082 -1.664 1.00 0.00 C ATOM 0 H VAL A 12 -7.514 9.062 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.929 9.827 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.573 7.777 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.798 8.508 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.658 9.866 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.902 9.596 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.596 6.533 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.685 7.492 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.302 6.408 -2.138 1.00 0.00 H new ATOM 184 N HIS A 13 -4.262 8.012 -2.026 1.00 0.00 N ATOM 185 CA HIS A 13 -3.283 7.008 -2.378 1.00 0.00 C ATOM 186 C HIS A 13 -3.309 5.910 -1.335 1.00 0.00 C ATOM 187 O HIS A 13 -3.251 6.174 -0.133 1.00 0.00 O ATOM 188 CB HIS A 13 -1.878 7.606 -2.484 1.00 0.00 C ATOM 189 CG HIS A 13 -1.643 8.361 -3.754 1.00 0.00 C ATOM 190 ND1 HIS A 13 -0.723 7.969 -4.695 1.00 0.00 N ATOM 191 CD2 HIS A 13 -2.211 9.490 -4.233 1.00 0.00 C ATOM 192 CE1 HIS A 13 -0.727 8.827 -5.695 1.00 0.00 C ATOM 193 NE2 HIS A 13 -1.624 9.762 -5.444 1.00 0.00 N ATOM 0 H HIS A 13 -3.971 8.640 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.537 6.600 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.711 8.273 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -1.144 6.804 -2.407 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -0.129 7.142 -4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.984 10.071 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.101 8.774 -6.573 1.00 0.00 H new ATOM 202 N VAL A 14 -3.401 4.682 -1.796 1.00 0.00 N ATOM 203 CA VAL A 14 -3.498 3.548 -0.909 1.00 0.00 C ATOM 204 C VAL A 14 -2.147 2.880 -0.813 1.00 0.00 C ATOM 205 O VAL A 14 -1.693 2.222 -1.750 1.00 0.00 O ATOM 206 CB VAL A 14 -4.548 2.527 -1.397 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.656 1.361 -0.426 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.899 3.200 -1.582 1.00 0.00 C ATOM 0 H VAL A 14 -3.411 4.444 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.816 3.907 0.070 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.224 2.136 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.401 0.653 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.690 0.862 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.954 1.731 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.627 2.466 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.229 3.621 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.810 3.997 -2.320 1.00 0.00 H new ATOM 218 N VAL A 15 -1.497 3.107 0.312 1.00 0.00 N ATOM 219 CA VAL A 15 -0.170 2.586 0.550 1.00 0.00 C ATOM 220 C VAL A 15 -0.192 1.073 0.701 1.00 0.00 C ATOM 221 O VAL A 15 -0.602 0.532 1.728 1.00 0.00 O ATOM 222 CB VAL A 15 0.468 3.257 1.792 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.440 3.153 3.011 1.00 0.00 C ATOM 224 CG2 VAL A 15 1.835 2.664 2.089 1.00 0.00 C ATOM 0 H VAL A 15 -1.875 3.657 1.084 1.00 0.00 H new ATOM 0 HA VAL A 15 0.444 2.823 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 15 0.596 4.315 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.039 3.634 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.389 3.647 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.621 2.103 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.261 3.153 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.734 1.596 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.492 2.817 1.233 1.00 0.00 H new ATOM 234 N LEU A 16 0.240 0.395 -0.343 1.00 0.00 N ATOM 235 CA LEU A 16 0.302 -1.043 -0.326 1.00 0.00 C ATOM 236 C LEU A 16 1.749 -1.487 -0.241 1.00 0.00 C ATOM 237 O LEU A 16 2.535 -1.275 -1.159 1.00 0.00 O ATOM 238 CB LEU A 16 -0.355 -1.639 -1.575 1.00 0.00 C ATOM 239 CG LEU A 16 -1.017 -3.002 -1.363 1.00 0.00 C ATOM 240 CD1 LEU A 16 -1.421 -3.633 -2.678 1.00 0.00 C ATOM 241 CD2 LEU A 16 -0.105 -3.948 -0.611 1.00 0.00 C ATOM 0 H LEU A 16 0.553 0.823 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.244 -1.402 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.106 -0.939 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.400 -1.735 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.913 -2.826 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.888 -4.600 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.129 -2.982 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.538 -3.772 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.606 -4.907 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.814 -4.095 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.134 -3.524 0.364 1.00 0.00 H new ATOM 253 N LYS A 17 2.094 -2.110 0.863 1.00 0.00 N ATOM 254 CA LYS A 17 3.434 -2.610 1.045 1.00 0.00 C ATOM 255 C LYS A 17 3.446 -4.126 0.872 1.00 0.00 C ATOM 256 O LYS A 17 2.568 -4.829 1.379 1.00 0.00 O ATOM 257 CB LYS A 17 3.979 -2.194 2.416 1.00 0.00 C ATOM 258 CG LYS A 17 3.864 -0.700 2.686 1.00 0.00 C ATOM 259 CD LYS A 17 4.292 -0.368 4.100 1.00 0.00 C ATOM 260 CE LYS A 17 4.219 1.126 4.387 1.00 0.00 C ATOM 261 NZ LYS A 17 5.156 1.927 3.554 1.00 0.00 N ATOM 0 H LYS A 17 1.464 -2.282 1.647 1.00 0.00 H new ATOM 0 HA LYS A 17 4.088 -2.176 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.441 -2.738 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.026 -2.489 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.483 -0.150 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.835 -0.377 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.656 -0.903 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.312 -0.718 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.201 1.474 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.440 1.299 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.554 2.700 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.926 1.317 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.644 2.325 2.741 1.00 0.00 H new ATOM 275 N LEU A 18 4.451 -4.610 0.162 1.00 0.00 N ATOM 276 CA LEU A 18 4.594 -6.023 -0.163 1.00 0.00 C ATOM 277 C LEU A 18 5.590 -6.643 0.800 1.00 0.00 C ATOM 278 O LEU A 18 6.777 -6.327 0.771 1.00 0.00 O ATOM 279 CB LEU A 18 5.098 -6.149 -1.616 1.00 0.00 C ATOM 280 CG LEU A 18 6.089 -7.286 -1.918 1.00 0.00 C ATOM 281 CD1 LEU A 18 5.404 -8.639 -1.954 1.00 0.00 C ATOM 282 CD2 LEU A 18 6.800 -7.024 -3.233 1.00 0.00 C ATOM 0 H LEU A 18 5.201 -4.027 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 18 3.639 -6.541 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.231 -6.275 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.570 -5.206 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 18 6.820 -7.309 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.140 -9.414 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.941 -8.838 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.639 -8.639 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.499 -7.835 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.067 -6.966 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.345 -6.082 -3.170 1.00 0.00 H new ATOM 294 N TRP A 19 5.095 -7.496 1.674 1.00 0.00 N ATOM 295 CA TRP A 19 5.918 -8.080 2.710 1.00 0.00 C ATOM 296 C TRP A 19 6.328 -9.491 2.321 1.00 0.00 C ATOM 297 O TRP A 19 6.058 -9.940 1.208 1.00 0.00 O ATOM 298 CB TRP A 19 5.158 -8.116 4.036 1.00 0.00 C ATOM 299 CG TRP A 19 4.401 -6.865 4.349 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.067 -6.674 4.187 1.00 0.00 C ATOM 301 CD2 TRP A 19 4.919 -5.642 4.873 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.708 -5.439 4.642 1.00 0.00 N ATOM 303 CE2 TRP A 19 3.828 -4.776 5.055 1.00 0.00 C ATOM 304 CE3 TRP A 19 6.190 -5.202 5.220 1.00 0.00 C ATOM 305 CZ2 TRP A 19 3.972 -3.496 5.573 1.00 0.00 C ATOM 306 CZ3 TRP A 19 6.338 -3.925 5.725 1.00 0.00 C ATOM 307 CH2 TRP A 19 5.237 -3.085 5.904 1.00 0.00 C ATOM 0 H TRP A 19 4.122 -7.800 1.686 1.00 0.00 H new ATOM 0 HA TRP A 19 6.811 -7.466 2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.460 -8.953 4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.867 -8.309 4.842 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.387 -7.396 3.759 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.757 -5.071 4.669 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.047 -5.847 5.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.119 -2.848 5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.324 -3.569 5.986 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.385 -2.095 6.310 1.00 0.00 H new ATOM 318 N LYS A 20 6.974 -10.190 3.236 1.00 0.00 N ATOM 319 CA LYS A 20 7.383 -11.561 2.984 1.00 0.00 C ATOM 320 C LYS A 20 6.216 -12.520 3.189 1.00 0.00 C ATOM 321 O LYS A 20 6.184 -13.612 2.624 1.00 0.00 O ATOM 322 CB LYS A 20 8.570 -11.933 3.886 1.00 0.00 C ATOM 323 CG LYS A 20 8.320 -11.766 5.387 1.00 0.00 C ATOM 324 CD LYS A 20 7.582 -12.962 5.978 1.00 0.00 C ATOM 325 CE LYS A 20 8.432 -14.224 5.916 1.00 0.00 C ATOM 326 NZ LYS A 20 9.491 -14.231 6.958 1.00 0.00 N ATOM 0 H LYS A 20 7.226 -9.833 4.158 1.00 0.00 H new ATOM 0 HA LYS A 20 7.702 -11.645 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.843 -12.970 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.426 -11.320 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.272 -11.637 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.739 -10.860 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.315 -12.752 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.651 -13.122 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.793 -15.098 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.892 -14.304 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.047 -15.106 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.116 -13.411 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.052 -14.181 7.899 1.00 0.00 H new ATOM 340 N SER A 21 5.260 -12.101 4.000 1.00 0.00 N ATOM 341 CA SER A 21 4.125 -12.941 4.326 1.00 0.00 C ATOM 342 C SER A 21 2.916 -12.541 3.498 1.00 0.00 C ATOM 343 O SER A 21 2.257 -13.384 2.893 1.00 0.00 O ATOM 344 CB SER A 21 3.803 -12.835 5.818 1.00 0.00 C ATOM 345 OG SER A 21 2.749 -13.709 6.177 1.00 0.00 O ATOM 0 H SER A 21 5.249 -11.183 4.444 1.00 0.00 H new ATOM 0 HA SER A 21 4.378 -13.975 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.692 -13.073 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.527 -11.809 6.061 1.00 0.00 H new ATOM 0 HG SER A 21 2.660 -13.730 7.153 1.00 0.00 H new ATOM 351 N GLY A 22 2.639 -11.246 3.460 1.00 0.00 N ATOM 352 CA GLY A 22 1.481 -10.762 2.751 1.00 0.00 C ATOM 353 C GLY A 22 1.631 -9.323 2.331 1.00 0.00 C ATOM 354 O GLY A 22 2.742 -8.846 2.129 1.00 0.00 O ATOM 0 H GLY A 22 3.200 -10.523 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.312 -11.380 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.600 -10.864 3.385 1.00 0.00 H new ATOM 358 N PHE A 23 0.516 -8.630 2.197 1.00 0.00 N ATOM 359 CA PHE A 23 0.527 -7.236 1.784 1.00 0.00 C ATOM 360 C PHE A 23 -0.326 -6.407 2.730 1.00 0.00 C ATOM 361 O PHE A 23 -1.289 -6.908 3.307 1.00 0.00 O ATOM 362 CB PHE A 23 0.023 -7.106 0.341 1.00 0.00 C ATOM 363 CG PHE A 23 -1.409 -7.532 0.156 1.00 0.00 C ATOM 364 CD1 PHE A 23 -1.736 -8.858 -0.072 1.00 0.00 C ATOM 365 CD2 PHE A 23 -2.436 -6.601 0.219 1.00 0.00 C ATOM 366 CE1 PHE A 23 -3.048 -9.244 -0.229 1.00 0.00 C ATOM 367 CE2 PHE A 23 -3.748 -6.985 0.059 1.00 0.00 C ATOM 368 CZ PHE A 23 -4.053 -8.307 -0.165 1.00 0.00 C ATOM 0 H PHE A 23 -0.415 -9.011 2.369 1.00 0.00 H new ATOM 0 HA PHE A 23 1.550 -6.861 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.128 -6.069 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.658 -7.706 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.952 -9.599 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.203 -5.561 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.288 -10.283 -0.402 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.537 -6.249 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.082 -8.610 -0.291 1.00 0.00 H new ATOM 378 N SER A 24 0.046 -5.155 2.911 1.00 0.00 N ATOM 379 CA SER A 24 -0.709 -4.260 3.764 1.00 0.00 C ATOM 380 C SER A 24 -1.061 -2.990 3.024 1.00 0.00 C ATOM 381 O SER A 24 -0.259 -2.470 2.257 1.00 0.00 O ATOM 382 CB SER A 24 0.091 -3.911 5.010 1.00 0.00 C ATOM 383 OG SER A 24 -0.686 -3.165 5.916 1.00 0.00 O ATOM 0 H SER A 24 0.868 -4.734 2.478 1.00 0.00 H new ATOM 0 HA SER A 24 -1.627 -4.770 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.439 -4.825 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.977 -3.341 4.730 1.00 0.00 H new ATOM 0 HG SER A 24 -0.844 -2.269 5.551 1.00 0.00 H new ATOM 389 N LEU A 25 -2.252 -2.489 3.286 1.00 0.00 N ATOM 390 CA LEU A 25 -2.741 -1.291 2.637 1.00 0.00 C ATOM 391 C LEU A 25 -3.082 -0.258 3.700 1.00 0.00 C ATOM 392 O LEU A 25 -2.710 -0.428 4.861 1.00 0.00 O ATOM 393 CB LEU A 25 -3.984 -1.606 1.792 1.00 0.00 C ATOM 394 CG LEU A 25 -4.044 -3.017 1.185 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.563 -4.039 2.197 1.00 0.00 C ATOM 396 CD2 LEU A 25 -4.874 -3.024 -0.090 1.00 0.00 C ATOM 0 H LEU A 25 -2.905 -2.900 3.953 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.969 -0.899 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.868 -1.461 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.042 -0.880 0.981 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.028 -3.311 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.593 -5.026 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.900 -4.063 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.566 -3.758 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.902 -4.033 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.889 -2.696 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.427 -2.348 -0.819 1.00 0.00 H new ATOM 408 N ASP A 26 -3.765 0.811 3.322 1.00 0.00 N ATOM 409 CA ASP A 26 -4.296 1.736 4.316 1.00 0.00 C ATOM 410 C ASP A 26 -5.602 1.179 4.870 1.00 0.00 C ATOM 411 O ASP A 26 -5.903 1.307 6.060 1.00 0.00 O ATOM 412 CB ASP A 26 -4.527 3.125 3.725 1.00 0.00 C ATOM 413 CG ASP A 26 -5.005 4.104 4.776 1.00 0.00 C ATOM 414 OD1 ASP A 26 -4.222 4.411 5.696 1.00 0.00 O ATOM 415 OD2 ASP A 26 -6.175 4.535 4.710 1.00 0.00 O ATOM 0 H ASP A 26 -3.963 1.059 2.353 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.564 1.839 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.601 3.491 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.263 3.062 2.923 1.00 0.00 H new ATOM 420 N ASN A 27 -6.343 0.517 3.990 1.00 0.00 N ATOM 421 CA ASN A 27 -7.615 -0.128 4.324 1.00 0.00 C ATOM 422 C ASN A 27 -7.391 -1.437 5.095 1.00 0.00 C ATOM 423 O ASN A 27 -8.017 -2.459 4.806 1.00 0.00 O ATOM 424 CB ASN A 27 -8.382 -0.424 3.026 1.00 0.00 C ATOM 425 CG ASN A 27 -7.489 -1.107 2.006 1.00 0.00 C ATOM 426 OD1 ASN A 27 -6.875 -0.446 1.172 1.00 0.00 O ATOM 427 ND2 ASN A 27 -7.380 -2.427 2.087 1.00 0.00 N ATOM 0 H ASN A 27 -6.078 0.409 3.011 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.189 0.546 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.241 -1.059 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.770 0.506 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.769 -2.929 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.907 -2.940 2.794 1.00 0.00 H new ATOM 434 N GLY A 28 -6.497 -1.403 6.068 1.00 0.00 N ATOM 435 CA GLY A 28 -6.185 -2.590 6.834 1.00 0.00 C ATOM 436 C GLY A 28 -4.701 -2.741 7.054 1.00 0.00 C ATOM 437 O GLY A 28 -3.947 -1.781 6.903 1.00 0.00 O ATOM 0 H GLY A 28 -5.978 -0.569 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.692 -2.544 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.567 -3.469 6.314 1.00 0.00 H new ATOM 441 N GLU A 29 -4.280 -3.940 7.409 1.00 0.00 N ATOM 442 CA GLU A 29 -2.875 -4.212 7.659 1.00 0.00 C ATOM 443 C GLU A 29 -2.410 -5.462 6.906 1.00 0.00 C ATOM 444 O GLU A 29 -3.102 -5.928 5.999 1.00 0.00 O ATOM 445 CB GLU A 29 -2.629 -4.330 9.165 1.00 0.00 C ATOM 446 CG GLU A 29 -3.002 -3.060 9.912 1.00 0.00 C ATOM 447 CD GLU A 29 -2.898 -3.195 11.415 1.00 0.00 C ATOM 448 OE1 GLU A 29 -1.818 -2.910 11.972 1.00 0.00 O ATOM 449 OE2 GLU A 29 -3.910 -3.555 12.051 1.00 0.00 O ATOM 0 H GLU A 29 -4.893 -4.746 7.532 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.282 -3.379 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.207 -5.165 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.578 -4.558 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.353 -2.249 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.022 -2.779 9.649 1.00 0.00 H new ATOM 456 N LEU A 30 -1.233 -5.979 7.269 1.00 0.00 N ATOM 457 CA LEU A 30 -0.601 -7.082 6.543 1.00 0.00 C ATOM 458 C LEU A 30 -1.518 -8.305 6.499 1.00 0.00 C ATOM 459 O LEU A 30 -1.961 -8.811 7.531 1.00 0.00 O ATOM 460 CB LEU A 30 0.763 -7.415 7.194 1.00 0.00 C ATOM 461 CG LEU A 30 1.723 -8.340 6.415 1.00 0.00 C ATOM 462 CD1 LEU A 30 3.052 -8.462 7.124 1.00 0.00 C ATOM 463 CD2 LEU A 30 1.165 -9.720 6.214 1.00 0.00 C ATOM 0 H LEU A 30 -0.695 -5.647 8.069 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.427 -6.778 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.282 -6.476 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.569 -7.873 8.164 1.00 0.00 H new ATOM 0 HG LEU A 30 1.855 -7.874 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.709 -9.119 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.510 -7.477 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.897 -8.879 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.883 -10.326 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.973 -10.180 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.233 -9.657 5.652 1.00 0.00 H new ATOM 475 N ARG A 31 -1.811 -8.746 5.286 1.00 0.00 N ATOM 476 CA ARG A 31 -2.595 -9.948 5.057 1.00 0.00 C ATOM 477 C ARG A 31 -1.774 -10.936 4.237 1.00 0.00 C ATOM 478 O ARG A 31 -1.395 -10.635 3.105 1.00 0.00 O ATOM 479 CB ARG A 31 -3.886 -9.596 4.323 1.00 0.00 C ATOM 480 CG ARG A 31 -4.746 -8.591 5.066 1.00 0.00 C ATOM 481 CD ARG A 31 -5.984 -8.209 4.273 1.00 0.00 C ATOM 482 NE ARG A 31 -6.900 -7.386 5.062 1.00 0.00 N ATOM 483 CZ ARG A 31 -8.223 -7.462 4.982 1.00 0.00 C ATOM 484 NH1 ARG A 31 -8.795 -8.366 4.196 1.00 0.00 N ATOM 485 NH2 ARG A 31 -8.974 -6.649 5.708 1.00 0.00 N ATOM 0 H ARG A 31 -1.511 -8.279 4.431 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.853 -10.403 6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.639 -9.195 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.463 -10.507 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.045 -9.009 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.159 -7.697 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.688 -7.666 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.498 -9.112 3.944 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.498 -6.712 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.218 -9.006 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.812 -8.421 4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.536 -5.967 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.991 -6.705 5.649 1.00 0.00 H new ATOM 499 N SER A 32 -1.495 -12.100 4.817 1.00 0.00 N ATOM 500 CA SER A 32 -0.580 -13.075 4.221 1.00 0.00 C ATOM 501 C SER A 32 -1.115 -13.622 2.897 1.00 0.00 C ATOM 502 O SER A 32 -2.309 -13.869 2.765 1.00 0.00 O ATOM 503 CB SER A 32 -0.338 -14.222 5.199 1.00 0.00 C ATOM 504 OG SER A 32 -0.076 -13.734 6.505 1.00 0.00 O ATOM 0 H SER A 32 -1.893 -12.395 5.709 1.00 0.00 H new ATOM 0 HA SER A 32 0.360 -12.565 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.210 -14.876 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.504 -14.824 4.857 1.00 0.00 H new ATOM 0 HG SER A 32 0.886 -13.580 6.610 1.00 0.00 H new ATOM 510 N TYR A 33 -0.208 -13.862 1.946 1.00 0.00 N ATOM 511 CA TYR A 33 -0.569 -14.255 0.576 1.00 0.00 C ATOM 512 C TYR A 33 -1.144 -15.674 0.497 1.00 0.00 C ATOM 513 O TYR A 33 -1.130 -16.295 -0.563 1.00 0.00 O ATOM 514 CB TYR A 33 0.652 -14.154 -0.347 1.00 0.00 C ATOM 515 CG TYR A 33 1.199 -12.751 -0.506 1.00 0.00 C ATOM 516 CD1 TYR A 33 0.389 -11.721 -0.962 1.00 0.00 C ATOM 517 CD2 TYR A 33 2.525 -12.454 -0.199 1.00 0.00 C ATOM 518 CE1 TYR A 33 0.878 -10.440 -1.108 1.00 0.00 C ATOM 519 CE2 TYR A 33 3.021 -11.172 -0.341 1.00 0.00 C ATOM 520 CZ TYR A 33 2.189 -10.169 -0.799 1.00 0.00 C ATOM 521 OH TYR A 33 2.662 -8.887 -0.938 1.00 0.00 O ATOM 0 H TYR A 33 0.798 -13.790 2.101 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.347 -13.564 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.441 -14.797 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.382 -14.540 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.643 -11.926 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.176 -13.239 0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.232 -9.651 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.050 -10.956 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 33 2.823 -8.500 -0.052 1.00 0.00 H new ATOM 531 N GLN A 34 -1.636 -16.180 1.613 1.00 0.00 N ATOM 532 CA GLN A 34 -2.273 -17.487 1.654 1.00 0.00 C ATOM 533 C GLN A 34 -3.746 -17.349 2.017 1.00 0.00 C ATOM 534 O GLN A 34 -4.583 -18.136 1.575 1.00 0.00 O ATOM 535 CB GLN A 34 -1.571 -18.388 2.669 1.00 0.00 C ATOM 536 CG GLN A 34 -0.148 -18.740 2.280 1.00 0.00 C ATOM 537 CD GLN A 34 -0.079 -19.457 0.946 1.00 0.00 C ATOM 538 OE1 GLN A 34 -0.999 -20.181 0.567 1.00 0.00 O ATOM 539 NE2 GLN A 34 1.005 -19.252 0.220 1.00 0.00 N ATOM 0 H GLN A 34 -1.607 -15.701 2.513 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.194 -17.939 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.562 -17.891 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.145 -19.307 2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.449 -17.830 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.293 -19.370 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.746 -18.644 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.101 -19.701 -0.691 1.00 0.00 H new ATOM 548 N ASP A 35 -4.045 -16.334 2.818 1.00 0.00 N ATOM 549 CA ASP A 35 -5.405 -16.070 3.280 1.00 0.00 C ATOM 550 C ASP A 35 -6.348 -15.759 2.117 1.00 0.00 C ATOM 551 O ASP A 35 -6.094 -14.856 1.317 1.00 0.00 O ATOM 552 CB ASP A 35 -5.386 -14.916 4.284 1.00 0.00 C ATOM 553 CG ASP A 35 -6.724 -14.222 4.417 1.00 0.00 C ATOM 554 OD1 ASP A 35 -7.681 -14.842 4.922 1.00 0.00 O ATOM 555 OD2 ASP A 35 -6.820 -13.045 4.014 1.00 0.00 O ATOM 0 H ASP A 35 -3.353 -15.670 3.166 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.783 -16.969 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.082 -15.296 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.635 -14.188 3.977 1.00 0.00 H new ATOM 560 N PRO A 36 -7.457 -16.514 2.015 1.00 0.00 N ATOM 561 CA PRO A 36 -8.442 -16.353 0.941 1.00 0.00 C ATOM 562 C PRO A 36 -9.225 -15.042 1.031 1.00 0.00 C ATOM 563 O PRO A 36 -9.962 -14.690 0.108 1.00 0.00 O ATOM 564 CB PRO A 36 -9.392 -17.547 1.126 1.00 0.00 C ATOM 565 CG PRO A 36 -8.689 -18.475 2.059 1.00 0.00 C ATOM 566 CD PRO A 36 -7.824 -17.609 2.925 1.00 0.00 C ATOM 0 HA PRO A 36 -7.953 -16.321 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.349 -17.227 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.602 -18.033 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.402 -19.040 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.090 -19.201 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.361 -17.246 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.948 -18.145 3.289 1.00 0.00 H new ATOM 574 N SER A 37 -9.078 -14.330 2.140 1.00 0.00 N ATOM 575 CA SER A 37 -9.770 -13.064 2.325 1.00 0.00 C ATOM 576 C SER A 37 -9.070 -11.958 1.542 1.00 0.00 C ATOM 577 O SER A 37 -9.707 -11.215 0.794 1.00 0.00 O ATOM 578 CB SER A 37 -9.826 -12.711 3.810 1.00 0.00 C ATOM 579 OG SER A 37 -10.165 -13.853 4.586 1.00 0.00 O ATOM 0 H SER A 37 -8.487 -14.608 2.923 1.00 0.00 H new ATOM 0 HA SER A 37 -10.788 -13.161 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.861 -12.320 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.561 -11.923 3.974 1.00 0.00 H new ATOM 0 HG SER A 37 -9.351 -14.352 4.807 1.00 0.00 H new ATOM 585 N ASN A 38 -7.754 -11.863 1.697 1.00 0.00 N ATOM 586 CA ASN A 38 -6.987 -10.857 0.972 1.00 0.00 C ATOM 587 C ASN A 38 -6.801 -11.262 -0.477 1.00 0.00 C ATOM 588 O ASN A 38 -6.423 -10.447 -1.318 1.00 0.00 O ATOM 589 CB ASN A 38 -5.627 -10.611 1.610 1.00 0.00 C ATOM 590 CG ASN A 38 -4.672 -11.779 1.490 1.00 0.00 C ATOM 591 OD1 ASN A 38 -4.027 -11.975 0.464 1.00 0.00 O ATOM 592 ND2 ASN A 38 -4.541 -12.533 2.555 1.00 0.00 N ATOM 0 H ASN A 38 -7.202 -12.462 2.310 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.558 -9.930 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.173 -9.734 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.769 -10.377 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.885 -13.314 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.095 -12.338 3.389 1.00 0.00 H new ATOM 599 N ALA A 39 -7.056 -12.529 -0.751 1.00 0.00 N ATOM 600 CA ALA A 39 -7.060 -13.038 -2.120 1.00 0.00 C ATOM 601 C ALA A 39 -7.984 -12.205 -3.012 1.00 0.00 C ATOM 602 O ALA A 39 -7.785 -12.132 -4.225 1.00 0.00 O ATOM 603 CB ALA A 39 -7.474 -14.502 -2.149 1.00 0.00 C ATOM 0 H ALA A 39 -7.265 -13.232 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.045 -12.957 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.470 -14.861 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.773 -15.090 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.476 -14.605 -1.732 1.00 0.00 H new ATOM 609 N GLN A 40 -8.998 -11.582 -2.402 1.00 0.00 N ATOM 610 CA GLN A 40 -9.868 -10.646 -3.110 1.00 0.00 C ATOM 611 C GLN A 40 -9.035 -9.510 -3.689 1.00 0.00 C ATOM 612 O GLN A 40 -9.141 -9.185 -4.871 1.00 0.00 O ATOM 613 CB GLN A 40 -10.943 -10.095 -2.158 1.00 0.00 C ATOM 614 CG GLN A 40 -11.884 -9.060 -2.779 1.00 0.00 C ATOM 615 CD GLN A 40 -11.465 -7.620 -2.502 1.00 0.00 C ATOM 616 OE1 GLN A 40 -11.841 -7.039 -1.483 1.00 0.00 O ATOM 617 NE2 GLN A 40 -10.717 -7.016 -3.417 1.00 0.00 N ATOM 0 H GLN A 40 -9.234 -11.712 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.368 -11.168 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.538 -10.928 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.449 -9.645 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.926 -9.218 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.891 -9.218 -2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.421 -7.524 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.438 -6.044 -3.287 1.00 0.00 H new ATOM 626 N PHE A 41 -8.195 -8.921 -2.843 1.00 0.00 N ATOM 627 CA PHE A 41 -7.305 -7.852 -3.263 1.00 0.00 C ATOM 628 C PHE A 41 -6.362 -8.362 -4.336 1.00 0.00 C ATOM 629 O PHE A 41 -6.274 -7.788 -5.416 1.00 0.00 O ATOM 630 CB PHE A 41 -6.490 -7.333 -2.082 1.00 0.00 C ATOM 631 CG PHE A 41 -7.302 -6.739 -0.973 1.00 0.00 C ATOM 632 CD1 PHE A 41 -7.766 -5.442 -1.068 1.00 0.00 C ATOM 633 CD2 PHE A 41 -7.581 -7.467 0.174 1.00 0.00 C ATOM 634 CE1 PHE A 41 -8.491 -4.877 -0.040 1.00 0.00 C ATOM 635 CE2 PHE A 41 -8.309 -6.909 1.203 1.00 0.00 C ATOM 636 CZ PHE A 41 -8.765 -5.612 1.096 1.00 0.00 C ATOM 0 H PHE A 41 -8.115 -9.170 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.910 -7.037 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.896 -8.154 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.790 -6.580 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.559 -4.864 -1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.224 -8.482 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.844 -3.860 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.522 -7.486 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.336 -5.172 1.900 1.00 0.00 H new ATOM 646 N LEU A 42 -5.683 -9.466 -4.032 1.00 0.00 N ATOM 647 CA LEU A 42 -4.712 -10.056 -4.947 1.00 0.00 C ATOM 648 C LEU A 42 -5.294 -10.227 -6.347 1.00 0.00 C ATOM 649 O LEU A 42 -4.642 -9.896 -7.334 1.00 0.00 O ATOM 650 CB LEU A 42 -4.217 -11.402 -4.409 1.00 0.00 C ATOM 651 CG LEU A 42 -3.290 -11.319 -3.195 1.00 0.00 C ATOM 652 CD1 LEU A 42 -2.910 -12.715 -2.723 1.00 0.00 C ATOM 653 CD2 LEU A 42 -2.043 -10.514 -3.534 1.00 0.00 C ATOM 0 H LEU A 42 -5.790 -9.972 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.867 -9.371 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.082 -12.009 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.694 -11.925 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.819 -10.813 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.250 -12.640 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.810 -13.263 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.397 -13.244 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.393 -10.464 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.511 -10.996 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.331 -9.505 -3.830 1.00 0.00 H new ATOM 665 N GLU A 43 -6.529 -10.704 -6.432 1.00 0.00 N ATOM 666 CA GLU A 43 -7.160 -10.907 -7.726 1.00 0.00 C ATOM 667 C GLU A 43 -7.517 -9.575 -8.373 1.00 0.00 C ATOM 668 O GLU A 43 -7.154 -9.334 -9.522 1.00 0.00 O ATOM 669 CB GLU A 43 -8.402 -11.794 -7.616 1.00 0.00 C ATOM 670 CG GLU A 43 -9.119 -11.968 -8.947 1.00 0.00 C ATOM 671 CD GLU A 43 -10.191 -13.034 -8.917 1.00 0.00 C ATOM 672 OE1 GLU A 43 -11.177 -12.872 -8.170 1.00 0.00 O ATOM 673 OE2 GLU A 43 -10.051 -14.035 -9.654 1.00 0.00 O ATOM 0 H GLU A 43 -7.107 -10.955 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.437 -11.420 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.112 -12.773 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.091 -11.360 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.569 -11.018 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.388 -12.220 -9.715 1.00 0.00 H new ATOM 680 N SER A 44 -8.207 -8.707 -7.638 1.00 0.00 N ATOM 681 CA SER A 44 -8.619 -7.417 -8.166 1.00 0.00 C ATOM 682 C SER A 44 -7.419 -6.623 -8.668 1.00 0.00 C ATOM 683 O SER A 44 -7.438 -6.076 -9.774 1.00 0.00 O ATOM 684 CB SER A 44 -9.347 -6.628 -7.082 1.00 0.00 C ATOM 685 OG SER A 44 -10.502 -7.314 -6.635 1.00 0.00 O ATOM 0 H SER A 44 -8.491 -8.877 -6.673 1.00 0.00 H new ATOM 0 HA SER A 44 -9.290 -7.587 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.675 -6.456 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.630 -5.649 -7.469 1.00 0.00 H new ATOM 0 HG SER A 44 -10.235 -8.104 -6.121 1.00 0.00 H new ATOM 691 N ILE A 45 -6.360 -6.606 -7.872 1.00 0.00 N ATOM 692 CA ILE A 45 -5.180 -5.817 -8.190 1.00 0.00 C ATOM 693 C ILE A 45 -4.423 -6.464 -9.350 1.00 0.00 C ATOM 694 O ILE A 45 -3.804 -5.778 -10.164 1.00 0.00 O ATOM 695 CB ILE A 45 -4.264 -5.665 -6.950 1.00 0.00 C ATOM 696 CG1 ILE A 45 -5.071 -5.123 -5.770 1.00 0.00 C ATOM 697 CG2 ILE A 45 -3.097 -4.739 -7.243 1.00 0.00 C ATOM 698 CD1 ILE A 45 -4.333 -5.161 -4.450 1.00 0.00 C ATOM 0 H ILE A 45 -6.294 -7.131 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.497 -4.818 -8.490 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.866 -6.648 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.360 -4.094 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.991 -5.700 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.471 -4.651 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.507 -5.146 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.474 -3.755 -7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.973 -4.760 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.067 -6.191 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.427 -4.560 -4.522 1.00 0.00 H new ATOM 710 N ARG A 46 -4.513 -7.790 -9.428 1.00 0.00 N ATOM 711 CA ARG A 46 -3.940 -8.551 -10.534 1.00 0.00 C ATOM 712 C ARG A 46 -4.659 -8.234 -11.843 1.00 0.00 C ATOM 713 O ARG A 46 -4.023 -8.014 -12.873 1.00 0.00 O ATOM 714 CB ARG A 46 -4.037 -10.046 -10.224 1.00 0.00 C ATOM 715 CG ARG A 46 -3.714 -10.968 -11.387 1.00 0.00 C ATOM 716 CD ARG A 46 -3.917 -12.419 -10.986 1.00 0.00 C ATOM 717 NE ARG A 46 -3.888 -13.318 -12.137 1.00 0.00 N ATOM 718 CZ ARG A 46 -4.481 -14.513 -12.164 1.00 0.00 C ATOM 719 NH1 ARG A 46 -5.090 -14.985 -11.083 1.00 0.00 N ATOM 720 NH2 ARG A 46 -4.454 -15.238 -13.272 1.00 0.00 N ATOM 0 H ARG A 46 -4.983 -8.365 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.893 -8.271 -10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.361 -10.275 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.047 -10.264 -9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.351 -10.727 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.683 -10.813 -11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.140 -12.711 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.872 -12.522 -10.471 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.384 -13.014 -12.970 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.107 -14.433 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.541 -15.899 -11.110 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.980 -14.883 -14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.907 -16.152 -13.295 1.00 0.00 H new ATOM 734 N ARG A 47 -5.991 -8.212 -11.797 1.00 0.00 N ATOM 735 CA ARG A 47 -6.798 -7.934 -12.986 1.00 0.00 C ATOM 736 C ARG A 47 -6.551 -6.517 -13.489 1.00 0.00 C ATOM 737 O ARG A 47 -6.507 -6.270 -14.692 1.00 0.00 O ATOM 738 CB ARG A 47 -8.295 -8.090 -12.691 1.00 0.00 C ATOM 739 CG ARG A 47 -8.680 -9.408 -12.043 1.00 0.00 C ATOM 740 CD ARG A 47 -8.251 -10.604 -12.872 1.00 0.00 C ATOM 741 NE ARG A 47 -8.643 -11.860 -12.237 1.00 0.00 N ATOM 742 CZ ARG A 47 -8.413 -13.065 -12.753 1.00 0.00 C ATOM 743 NH1 ARG A 47 -7.755 -13.191 -13.898 1.00 0.00 N ATOM 744 NH2 ARG A 47 -8.830 -14.145 -12.108 1.00 0.00 N ATOM 0 H ARG A 47 -6.534 -8.383 -10.951 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.501 -8.655 -13.748 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.610 -7.275 -12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.848 -7.984 -13.624 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.224 -9.471 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.760 -9.437 -11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.699 -10.541 -13.864 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.170 -10.585 -13.008 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.125 -11.810 -11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.422 -12.361 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.582 -14.118 -14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.324 -14.050 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.657 -15.071 -12.499 1.00 0.00 H new ATOM 758 N GLY A 48 -6.388 -5.597 -12.551 1.00 0.00 N ATOM 759 CA GLY A 48 -6.256 -4.198 -12.896 1.00 0.00 C ATOM 760 C GLY A 48 -7.420 -3.396 -12.360 1.00 0.00 C ATOM 761 O GLY A 48 -7.589 -2.220 -12.689 1.00 0.00 O ATOM 0 H GLY A 48 -6.345 -5.796 -11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.323 -3.806 -12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.204 -4.090 -13.979 1.00 0.00 H new ATOM 765 N GLU A 49 -8.231 -4.043 -11.534 1.00 0.00 N ATOM 766 CA GLU A 49 -9.370 -3.394 -10.910 1.00 0.00 C ATOM 767 C GLU A 49 -8.973 -2.816 -9.565 1.00 0.00 C ATOM 768 O GLU A 49 -7.907 -3.127 -9.026 1.00 0.00 O ATOM 769 CB GLU A 49 -10.519 -4.377 -10.696 1.00 0.00 C ATOM 770 CG GLU A 49 -11.048 -5.017 -11.968 1.00 0.00 C ATOM 771 CD GLU A 49 -12.165 -6.005 -11.687 1.00 0.00 C ATOM 772 OE1 GLU A 49 -13.335 -5.575 -11.596 1.00 0.00 O ATOM 773 OE2 GLU A 49 -11.882 -7.214 -11.552 1.00 0.00 O ATOM 0 H GLU A 49 -8.117 -5.025 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.699 -2.599 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.185 -5.164 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.338 -3.856 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.412 -4.240 -12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.234 -5.527 -12.482 1.00 0.00 H new ATOM 780 N VAL A 50 -9.838 -1.982 -9.028 1.00 0.00 N ATOM 781 CA VAL A 50 -9.637 -1.427 -7.713 1.00 0.00 C ATOM 782 C VAL A 50 -10.494 -2.166 -6.685 1.00 0.00 C ATOM 783 O VAL A 50 -11.723 -2.189 -6.777 1.00 0.00 O ATOM 784 CB VAL A 50 -9.945 0.086 -7.703 1.00 0.00 C ATOM 785 CG1 VAL A 50 -11.379 0.374 -8.132 1.00 0.00 C ATOM 786 CG2 VAL A 50 -9.647 0.684 -6.336 1.00 0.00 C ATOM 0 H VAL A 50 -10.694 -1.673 -9.490 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.589 -1.557 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.292 0.562 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.556 1.449 -8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.539 -0.001 -9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.069 -0.120 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.870 1.751 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.263 0.194 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.594 0.537 -6.096 1.00 0.00 H new ATOM 796 N PRO A 51 -9.840 -2.834 -5.722 1.00 0.00 N ATOM 797 CA PRO A 51 -10.530 -3.538 -4.641 1.00 0.00 C ATOM 798 C PRO A 51 -11.525 -2.636 -3.917 1.00 0.00 C ATOM 799 O PRO A 51 -11.220 -1.485 -3.589 1.00 0.00 O ATOM 800 CB PRO A 51 -9.396 -3.941 -3.701 1.00 0.00 C ATOM 801 CG PRO A 51 -8.187 -4.000 -4.553 1.00 0.00 C ATOM 802 CD PRO A 51 -8.375 -2.969 -5.628 1.00 0.00 C ATOM 0 HA PRO A 51 -11.116 -4.381 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.275 -3.216 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.596 -4.905 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.290 -3.793 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.064 -4.993 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.901 -2.024 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.940 -3.291 -6.574 1.00 0.00 H new ATOM 810 N ALA A 52 -12.710 -3.182 -3.659 1.00 0.00 N ATOM 811 CA ALA A 52 -13.815 -2.426 -3.089 1.00 0.00 C ATOM 812 C ALA A 52 -13.462 -1.836 -1.733 1.00 0.00 C ATOM 813 O ALA A 52 -14.005 -0.812 -1.352 1.00 0.00 O ATOM 814 CB ALA A 52 -15.051 -3.304 -2.978 1.00 0.00 C ATOM 0 H ALA A 52 -12.929 -4.162 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.024 -1.594 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.870 -2.726 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.336 -3.659 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.835 -4.157 -2.336 1.00 0.00 H new ATOM 820 N GLU A 53 -12.549 -2.469 -1.014 1.00 0.00 N ATOM 821 CA GLU A 53 -12.132 -1.967 0.290 1.00 0.00 C ATOM 822 C GLU A 53 -11.498 -0.584 0.176 1.00 0.00 C ATOM 823 O GLU A 53 -11.737 0.283 1.012 1.00 0.00 O ATOM 824 CB GLU A 53 -11.156 -2.936 0.946 1.00 0.00 C ATOM 825 CG GLU A 53 -11.778 -4.277 1.287 1.00 0.00 C ATOM 826 CD GLU A 53 -12.888 -4.159 2.317 1.00 0.00 C ATOM 827 OE1 GLU A 53 -14.044 -3.900 1.928 1.00 0.00 O ATOM 828 OE2 GLU A 53 -12.607 -4.322 3.523 1.00 0.00 O ATOM 0 H GLU A 53 -12.083 -3.328 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.023 -1.882 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.309 -3.096 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.763 -2.484 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.176 -4.730 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.005 -4.946 1.665 1.00 0.00 H new ATOM 835 N LEU A 54 -10.706 -0.374 -0.869 1.00 0.00 N ATOM 836 CA LEU A 54 -10.041 0.905 -1.062 1.00 0.00 C ATOM 837 C LEU A 54 -10.958 1.852 -1.817 1.00 0.00 C ATOM 838 O LEU A 54 -11.012 3.051 -1.536 1.00 0.00 O ATOM 839 CB LEU A 54 -8.707 0.766 -1.816 1.00 0.00 C ATOM 840 CG LEU A 54 -8.418 -0.578 -2.484 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.319 -0.391 -3.508 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.990 -1.611 -1.455 1.00 0.00 C ATOM 0 H LEU A 54 -10.511 -1.069 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.817 1.306 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.671 1.539 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.899 0.975 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.326 -0.936 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.105 -1.345 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.640 0.331 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.419 -0.025 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.790 -2.560 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.087 -1.269 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.786 -1.747 -0.723 1.00 0.00 H new ATOM 854 N ARG A 55 -11.687 1.299 -2.777 1.00 0.00 N ATOM 855 CA ARG A 55 -12.615 2.082 -3.573 1.00 0.00 C ATOM 856 C ARG A 55 -13.719 2.639 -2.674 1.00 0.00 C ATOM 857 O ARG A 55 -14.094 3.806 -2.784 1.00 0.00 O ATOM 858 CB ARG A 55 -13.197 1.220 -4.708 1.00 0.00 C ATOM 859 CG ARG A 55 -13.901 2.015 -5.803 1.00 0.00 C ATOM 860 CD ARG A 55 -15.214 2.591 -5.315 1.00 0.00 C ATOM 861 NE ARG A 55 -15.755 3.597 -6.222 1.00 0.00 N ATOM 862 CZ ARG A 55 -16.032 4.852 -5.868 1.00 0.00 C ATOM 863 NH1 ARG A 55 -15.711 5.301 -4.655 1.00 0.00 N ATOM 864 NH2 ARG A 55 -16.601 5.669 -6.743 1.00 0.00 N ATOM 0 H ARG A 55 -11.652 0.309 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.089 2.921 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.391 0.640 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.903 0.507 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.252 2.822 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.083 1.370 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.939 1.785 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.068 3.035 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.933 3.323 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.249 4.683 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.927 6.263 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.824 5.336 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.816 6.630 -6.478 1.00 0.00 H new ATOM 878 N ARG A 56 -14.232 1.799 -1.784 1.00 0.00 N ATOM 879 CA ARG A 56 -15.240 2.218 -0.823 1.00 0.00 C ATOM 880 C ARG A 56 -14.584 2.811 0.421 1.00 0.00 C ATOM 881 O ARG A 56 -15.172 2.816 1.502 1.00 0.00 O ATOM 882 CB ARG A 56 -16.145 1.042 -0.440 1.00 0.00 C ATOM 883 CG ARG A 56 -16.895 0.451 -1.623 1.00 0.00 C ATOM 884 CD ARG A 56 -17.974 1.393 -2.134 1.00 0.00 C ATOM 885 NE ARG A 56 -18.543 0.945 -3.406 1.00 0.00 N ATOM 886 CZ ARG A 56 -19.533 0.055 -3.525 1.00 0.00 C ATOM 887 NH1 ARG A 56 -20.031 -0.555 -2.453 1.00 0.00 N ATOM 888 NH2 ARG A 56 -20.013 -0.232 -4.726 1.00 0.00 N ATOM 0 H ARG A 56 -13.963 0.818 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.855 2.988 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.540 0.263 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.865 1.375 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.192 0.233 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -17.348 -0.496 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -18.767 1.471 -1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.554 2.391 -2.258 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.156 1.340 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.657 -0.345 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.787 -1.232 -2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.627 0.225 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.768 -0.910 -4.825 1.00 0.00 H new ATOM 902 N LEU A 57 -13.349 3.268 0.266 1.00 0.00 N ATOM 903 CA LEU A 57 -12.662 4.015 1.309 1.00 0.00 C ATOM 904 C LEU A 57 -12.514 5.449 0.833 1.00 0.00 C ATOM 905 O LEU A 57 -12.853 6.394 1.548 1.00 0.00 O ATOM 906 CB LEU A 57 -11.290 3.395 1.620 1.00 0.00 C ATOM 907 CG LEU A 57 -10.562 3.955 2.854 1.00 0.00 C ATOM 908 CD1 LEU A 57 -9.540 2.956 3.363 1.00 0.00 C ATOM 909 CD2 LEU A 57 -9.874 5.274 2.533 1.00 0.00 C ATOM 0 H LEU A 57 -12.798 3.132 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.240 3.984 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.421 2.321 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.647 3.530 0.751 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.308 4.133 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.033 3.367 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.043 2.029 3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.808 2.753 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.368 5.646 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.144 5.120 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.617 6.002 2.207 1.00 0.00 H new ATOM 921 N ALA A 58 -12.001 5.602 -0.385 1.00 0.00 N ATOM 922 CA ALA A 58 -11.991 6.905 -1.038 1.00 0.00 C ATOM 923 C ALA A 58 -13.412 7.430 -1.192 1.00 0.00 C ATOM 924 O ALA A 58 -14.278 6.775 -1.771 1.00 0.00 O ATOM 925 CB ALA A 58 -11.310 6.860 -2.398 1.00 0.00 C ATOM 0 H ALA A 58 -11.591 4.847 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.418 7.579 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.327 7.853 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.277 6.534 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.838 6.160 -3.046 1.00 0.00 H new ATOM 931 N HIS A 59 -13.638 8.620 -0.677 1.00 0.00 N ATOM 932 CA HIS A 59 -14.971 9.215 -0.669 1.00 0.00 C ATOM 933 C HIS A 59 -15.144 10.212 -1.802 1.00 0.00 C ATOM 934 O HIS A 59 -16.255 10.644 -2.092 1.00 0.00 O ATOM 935 CB HIS A 59 -15.245 9.911 0.663 1.00 0.00 C ATOM 936 CG HIS A 59 -15.602 8.976 1.775 1.00 0.00 C ATOM 937 ND1 HIS A 59 -16.017 9.408 3.013 1.00 0.00 N ATOM 938 CD2 HIS A 59 -15.609 7.626 1.830 1.00 0.00 C ATOM 939 CE1 HIS A 59 -16.260 8.364 3.783 1.00 0.00 C ATOM 940 NE2 HIS A 59 -16.024 7.270 3.089 1.00 0.00 N ATOM 0 H HIS A 59 -12.915 9.203 -0.254 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.685 8.403 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.362 10.482 0.951 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.057 10.626 0.528 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -16.121 10.383 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.338 6.952 1.031 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.596 8.401 4.809 1.00 0.00 H new ATOM 949 N GLY A 60 -14.043 10.582 -2.430 1.00 0.00 N ATOM 950 CA GLY A 60 -14.102 11.548 -3.509 1.00 0.00 C ATOM 951 C GLY A 60 -14.222 10.881 -4.851 1.00 0.00 C ATOM 952 O GLY A 60 -15.103 11.200 -5.644 1.00 0.00 O ATOM 0 H GLY A 60 -13.109 10.233 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.953 12.212 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.206 12.168 -3.491 1.00 0.00 H new ATOM 956 N GLY A 61 -13.327 9.948 -5.101 1.00 0.00 N ATOM 957 CA GLY A 61 -13.348 9.236 -6.358 1.00 0.00 C ATOM 958 C GLY A 61 -12.030 8.615 -6.690 1.00 0.00 C ATOM 959 O GLY A 61 -11.914 7.394 -6.783 1.00 0.00 O ATOM 0 H GLY A 61 -12.586 9.669 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.112 8.459 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.633 9.923 -7.155 1.00 0.00 H new ATOM 963 N GLN A 62 -11.043 9.458 -6.873 1.00 0.00 N ATOM 964 CA GLN A 62 -9.713 9.022 -7.189 1.00 0.00 C ATOM 965 C GLN A 62 -9.132 8.173 -6.070 1.00 0.00 C ATOM 966 O GLN A 62 -8.839 8.667 -4.982 1.00 0.00 O ATOM 967 CB GLN A 62 -8.879 10.254 -7.446 1.00 0.00 C ATOM 968 CG GLN A 62 -7.447 9.960 -7.874 1.00 0.00 C ATOM 969 CD GLN A 62 -6.789 11.134 -8.578 1.00 0.00 C ATOM 970 OE1 GLN A 62 -5.920 10.954 -9.434 1.00 0.00 O ATOM 971 NE2 GLN A 62 -7.196 12.344 -8.227 1.00 0.00 N ATOM 0 H GLN A 62 -11.145 10.471 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.722 8.389 -8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.362 10.851 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.859 10.861 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.858 9.692 -6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.441 9.095 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.918 12.453 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.788 13.168 -8.669 1.00 0.00 H new ATOM 980 N VAL A 63 -9.013 6.888 -6.337 1.00 0.00 N ATOM 981 CA VAL A 63 -8.394 5.964 -5.412 1.00 0.00 C ATOM 982 C VAL A 63 -7.250 5.236 -6.121 1.00 0.00 C ATOM 983 O VAL A 63 -7.470 4.339 -6.941 1.00 0.00 O ATOM 984 CB VAL A 63 -9.427 4.960 -4.833 1.00 0.00 C ATOM 985 CG1 VAL A 63 -10.272 4.326 -5.933 1.00 0.00 C ATOM 986 CG2 VAL A 63 -8.736 3.889 -4.001 1.00 0.00 C ATOM 0 H VAL A 63 -9.343 6.457 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.994 6.524 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.098 5.521 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.983 3.629 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.814 5.105 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.624 3.790 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.481 3.198 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.029 3.343 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.203 4.358 -3.174 1.00 0.00 H new ATOM 996 N ASN A 64 -6.030 5.653 -5.830 1.00 0.00 N ATOM 997 CA ASN A 64 -4.859 5.093 -6.483 1.00 0.00 C ATOM 998 C ASN A 64 -4.056 4.256 -5.503 1.00 0.00 C ATOM 999 O ASN A 64 -3.810 4.676 -4.380 1.00 0.00 O ATOM 1000 CB ASN A 64 -3.995 6.218 -7.057 1.00 0.00 C ATOM 1001 CG ASN A 64 -2.813 5.697 -7.857 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -2.840 4.584 -8.382 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -1.774 6.507 -7.974 1.00 0.00 N ATOM 0 H ASN A 64 -5.824 6.379 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.185 4.448 -7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.609 6.853 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.630 6.843 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.959 6.216 -8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.788 7.423 -7.525 1.00 0.00 H new ATOM 1010 N LEU A 65 -3.650 3.076 -5.934 1.00 0.00 N ATOM 1011 CA LEU A 65 -2.908 2.166 -5.080 1.00 0.00 C ATOM 1012 C LEU A 65 -1.434 2.168 -5.471 1.00 0.00 C ATOM 1013 O LEU A 65 -1.090 2.024 -6.647 1.00 0.00 O ATOM 1014 CB LEU A 65 -3.521 0.759 -5.176 1.00 0.00 C ATOM 1015 CG LEU A 65 -2.841 -0.347 -4.364 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -3.867 -1.401 -3.974 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -1.712 -0.992 -5.159 1.00 0.00 C ATOM 0 H LEU A 65 -3.823 2.724 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.973 2.494 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.563 0.820 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.522 0.460 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.414 0.098 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.380 -2.187 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.651 -0.941 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.306 -1.832 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.246 -1.774 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.114 -1.427 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.968 -0.237 -5.413 1.00 0.00 H new ATOM 1029 N ASP A 66 -0.574 2.348 -4.480 1.00 0.00 N ATOM 1030 CA ASP A 66 0.868 2.359 -4.697 1.00 0.00 C ATOM 1031 C ASP A 66 1.499 1.144 -4.043 1.00 0.00 C ATOM 1032 O ASP A 66 1.143 0.791 -2.924 1.00 0.00 O ATOM 1033 CB ASP A 66 1.498 3.632 -4.122 1.00 0.00 C ATOM 1034 CG ASP A 66 1.180 4.869 -4.936 1.00 0.00 C ATOM 1035 OD1 ASP A 66 1.950 5.182 -5.870 1.00 0.00 O ATOM 1036 OD2 ASP A 66 0.176 5.545 -4.639 1.00 0.00 O ATOM 0 H ASP A 66 -0.851 2.490 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 66 1.050 2.334 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.146 3.776 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.579 3.505 -4.072 1.00 0.00 H new ATOM 1041 N MET A 67 2.428 0.505 -4.739 1.00 0.00 N ATOM 1042 CA MET A 67 3.076 -0.690 -4.211 1.00 0.00 C ATOM 1043 C MET A 67 4.497 -0.407 -3.739 1.00 0.00 C ATOM 1044 O MET A 67 5.281 0.255 -4.425 1.00 0.00 O ATOM 1045 CB MET A 67 3.101 -1.818 -5.248 1.00 0.00 C ATOM 1046 CG MET A 67 1.773 -2.540 -5.419 1.00 0.00 C ATOM 1047 SD MET A 67 1.904 -3.958 -6.526 1.00 0.00 S ATOM 1048 CE MET A 67 0.295 -4.709 -6.307 1.00 0.00 C ATOM 0 H MET A 67 2.749 0.790 -5.664 1.00 0.00 H new ATOM 0 HA MET A 67 2.482 -1.007 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.403 -1.405 -6.210 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.861 -2.544 -4.960 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.415 -2.874 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.031 -1.844 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.415 -5.717 -5.911 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.293 -4.112 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.219 -4.756 -7.267 1.00 0.00 H new ATOM 1058 N GLU A 68 4.805 -0.907 -2.554 1.00 0.00 N ATOM 1059 CA GLU A 68 6.152 -0.875 -2.007 1.00 0.00 C ATOM 1060 C GLU A 68 6.651 -2.295 -1.804 1.00 0.00 C ATOM 1061 O GLU A 68 5.852 -3.216 -1.691 1.00 0.00 O ATOM 1062 CB GLU A 68 6.167 -0.167 -0.660 1.00 0.00 C ATOM 1063 CG GLU A 68 5.812 1.300 -0.710 1.00 0.00 C ATOM 1064 CD GLU A 68 5.791 1.900 0.673 1.00 0.00 C ATOM 1065 OE1 GLU A 68 6.797 1.754 1.409 1.00 0.00 O ATOM 1066 OE2 GLU A 68 4.769 2.491 1.057 1.00 0.00 O ATOM 0 H GLU A 68 4.122 -1.350 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 68 6.793 -0.339 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.469 -0.672 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.160 -0.271 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.534 1.831 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.836 1.426 -1.179 1.00 0.00 H new ATOM 1073 N ASP A 69 7.959 -2.473 -1.731 1.00 0.00 N ATOM 1074 CA ASP A 69 8.531 -3.788 -1.472 1.00 0.00 C ATOM 1075 C ASP A 69 9.257 -3.800 -0.127 1.00 0.00 C ATOM 1076 O ASP A 69 10.284 -3.156 0.054 1.00 0.00 O ATOM 1077 CB ASP A 69 9.476 -4.203 -2.610 1.00 0.00 C ATOM 1078 CG ASP A 69 10.648 -3.255 -2.802 1.00 0.00 C ATOM 1079 OD1 ASP A 69 10.422 -2.030 -2.893 1.00 0.00 O ATOM 1080 OD2 ASP A 69 11.799 -3.738 -2.892 1.00 0.00 O ATOM 0 H ASP A 69 8.645 -1.727 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 69 7.720 -4.514 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.858 -5.204 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.909 -4.260 -3.539 1.00 0.00 H new ATOM 1085 N HIS A 70 8.692 -4.520 0.829 1.00 0.00 N ATOM 1086 CA HIS A 70 9.268 -4.619 2.169 1.00 0.00 C ATOM 1087 C HIS A 70 9.176 -6.051 2.666 1.00 0.00 C ATOM 1088 O HIS A 70 8.567 -6.328 3.698 1.00 0.00 O ATOM 1089 CB HIS A 70 8.541 -3.709 3.164 1.00 0.00 C ATOM 1090 CG HIS A 70 8.636 -2.247 2.878 1.00 0.00 C ATOM 1091 ND1 HIS A 70 9.635 -1.441 3.378 1.00 0.00 N ATOM 1092 CD2 HIS A 70 7.810 -1.432 2.187 1.00 0.00 C ATOM 1093 CE1 HIS A 70 9.414 -0.194 3.010 1.00 0.00 C ATOM 1094 NE2 HIS A 70 8.315 -0.162 2.281 1.00 0.00 N ATOM 0 H HIS A 70 7.829 -5.049 0.704 1.00 0.00 H new ATOM 0 HA HIS A 70 10.309 -4.304 2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.488 -3.990 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.942 -3.894 4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.916 -1.727 1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.029 0.657 3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.908 0.672 1.857 1.00 0.00 H new ATOM 1103 N ARG A 71 9.788 -6.955 1.936 1.00 0.00 N ATOM 1104 CA ARG A 71 9.677 -8.366 2.243 1.00 0.00 C ATOM 1105 C ARG A 71 10.588 -8.740 3.398 1.00 0.00 C ATOM 1106 O ARG A 71 10.140 -9.315 4.388 1.00 0.00 O ATOM 1107 CB ARG A 71 9.978 -9.205 1.005 1.00 0.00 C ATOM 1108 CG ARG A 71 8.947 -9.016 -0.093 1.00 0.00 C ATOM 1109 CD ARG A 71 9.318 -9.771 -1.361 1.00 0.00 C ATOM 1110 NE ARG A 71 9.381 -11.218 -1.148 1.00 0.00 N ATOM 1111 CZ ARG A 71 9.372 -12.121 -2.129 1.00 0.00 C ATOM 1112 NH1 ARG A 71 9.293 -11.743 -3.399 1.00 0.00 N ATOM 1113 NH2 ARG A 71 9.440 -13.412 -1.838 1.00 0.00 N ATOM 0 H ARG A 71 10.368 -6.740 1.125 1.00 0.00 H new ATOM 0 HA ARG A 71 8.652 -8.575 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.964 -8.940 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.017 -10.258 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.974 -9.358 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.849 -7.954 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.586 -9.552 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.283 -9.417 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 71 9.435 -11.557 -0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.238 -10.752 -3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.287 -12.444 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.499 -13.713 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.433 -14.105 -2.587 1.00 0.00 H new ATOM 1127 N ASP A 72 11.855 -8.382 3.285 1.00 0.00 N ATOM 1128 CA ASP A 72 12.826 -8.657 4.340 1.00 0.00 C ATOM 1129 C ASP A 72 12.562 -7.753 5.544 1.00 0.00 C ATOM 1130 O ASP A 72 12.987 -8.038 6.666 1.00 0.00 O ATOM 1131 CB ASP A 72 14.245 -8.449 3.806 1.00 0.00 C ATOM 1132 CG ASP A 72 15.318 -8.834 4.804 1.00 0.00 C ATOM 1133 OD1 ASP A 72 15.511 -10.045 5.042 1.00 0.00 O ATOM 1134 OD2 ASP A 72 15.998 -7.929 5.333 1.00 0.00 O ATOM 0 H ASP A 72 12.240 -7.899 2.473 1.00 0.00 H new ATOM 0 HA ASP A 72 12.725 -9.694 4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.375 -9.037 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.373 -7.402 3.530 1.00 0.00 H new ATOM 1139 N GLU A 73 11.840 -6.669 5.293 1.00 0.00 N ATOM 1140 CA GLU A 73 11.469 -5.708 6.321 1.00 0.00 C ATOM 1141 C GLU A 73 10.437 -6.279 7.287 1.00 0.00 C ATOM 1142 O GLU A 73 10.504 -6.024 8.484 1.00 0.00 O ATOM 1143 CB GLU A 73 10.886 -4.458 5.660 1.00 0.00 C ATOM 1144 CG GLU A 73 11.923 -3.508 5.076 1.00 0.00 C ATOM 1145 CD GLU A 73 12.765 -4.150 3.994 1.00 0.00 C ATOM 1146 OE1 GLU A 73 12.188 -4.622 2.995 1.00 0.00 O ATOM 1147 OE2 GLU A 73 14.000 -4.198 4.154 1.00 0.00 O ATOM 0 H GLU A 73 11.493 -6.431 4.364 1.00 0.00 H new ATOM 0 HA GLU A 73 12.368 -5.464 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.207 -4.766 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.291 -3.918 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.418 -2.634 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.575 -3.154 5.875 1.00 0.00 H new ATOM 1154 N ASP A 74 9.498 -7.051 6.736 1.00 0.00 N ATOM 1155 CA ASP A 74 8.286 -7.517 7.436 1.00 0.00 C ATOM 1156 C ASP A 74 7.450 -6.342 7.967 1.00 0.00 C ATOM 1157 O ASP A 74 7.855 -5.181 7.873 1.00 0.00 O ATOM 1158 CB ASP A 74 8.566 -8.565 8.541 1.00 0.00 C ATOM 1159 CG ASP A 74 9.015 -8.004 9.882 1.00 0.00 C ATOM 1160 OD1 ASP A 74 8.180 -7.425 10.610 1.00 0.00 O ATOM 1161 OD2 ASP A 74 10.195 -8.198 10.242 1.00 0.00 O ATOM 0 H ASP A 74 9.554 -7.379 5.772 1.00 0.00 H new ATOM 0 HA ASP A 74 7.695 -8.037 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.661 -9.152 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.332 -9.251 8.180 1.00 0.00 H new ATOM 1166 N PHE A 75 6.282 -6.658 8.514 1.00 0.00 N ATOM 1167 CA PHE A 75 5.242 -5.666 8.801 1.00 0.00 C ATOM 1168 C PHE A 75 5.712 -4.519 9.694 1.00 0.00 C ATOM 1169 O PHE A 75 6.355 -4.723 10.728 1.00 0.00 O ATOM 1170 CB PHE A 75 4.042 -6.365 9.434 1.00 0.00 C ATOM 1171 CG PHE A 75 2.869 -5.475 9.753 1.00 0.00 C ATOM 1172 CD1 PHE A 75 2.116 -4.882 8.745 1.00 0.00 C ATOM 1173 CD2 PHE A 75 2.496 -5.262 11.070 1.00 0.00 C ATOM 1174 CE1 PHE A 75 1.021 -4.105 9.051 1.00 0.00 C ATOM 1175 CE2 PHE A 75 1.398 -4.485 11.378 1.00 0.00 C ATOM 1176 CZ PHE A 75 0.658 -3.910 10.367 1.00 0.00 C ATOM 0 H PHE A 75 6.025 -7.610 8.773 1.00 0.00 H new ATOM 0 HA PHE A 75 4.968 -5.211 7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.706 -7.153 8.761 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.369 -6.850 10.354 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.393 -5.032 7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.072 -5.710 11.866 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.446 -3.648 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.119 -4.328 12.409 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.206 -3.307 10.606 1.00 0.00 H new ATOM 1186 N VAL A 76 5.357 -3.312 9.278 1.00 0.00 N ATOM 1187 CA VAL A 76 5.605 -2.111 10.054 1.00 0.00 C ATOM 1188 C VAL A 76 4.494 -1.099 9.792 1.00 0.00 C ATOM 1189 O VAL A 76 3.924 -0.528 10.721 1.00 0.00 O ATOM 1190 CB VAL A 76 6.989 -1.493 9.731 1.00 0.00 C ATOM 1191 CG1 VAL A 76 7.087 -0.999 8.293 1.00 0.00 C ATOM 1192 CG2 VAL A 76 7.315 -0.374 10.709 1.00 0.00 C ATOM 0 H VAL A 76 4.887 -3.140 8.389 1.00 0.00 H new ATOM 0 HA VAL A 76 5.612 -2.382 11.110 1.00 0.00 H new ATOM 0 HB VAL A 76 7.727 -2.287 9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.076 -0.576 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.925 -1.833 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.330 -0.235 8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.290 0.048 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.555 0.404 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.333 -0.772 11.724 1.00 0.00 H new ATOM 1202 N LYS A 77 4.186 -0.916 8.510 1.00 0.00 N ATOM 1203 CA LYS A 77 3.112 -0.042 8.059 1.00 0.00 C ATOM 1204 C LYS A 77 3.336 1.431 8.394 1.00 0.00 C ATOM 1205 O LYS A 77 4.213 1.794 9.179 1.00 0.00 O ATOM 1206 CB LYS A 77 1.765 -0.491 8.615 1.00 0.00 C ATOM 1207 CG LYS A 77 0.902 -1.166 7.577 1.00 0.00 C ATOM 1208 CD LYS A 77 -0.573 -1.070 7.934 1.00 0.00 C ATOM 1209 CE LYS A 77 -1.125 0.291 7.552 1.00 0.00 C ATOM 1210 NZ LYS A 77 -2.601 0.384 7.718 1.00 0.00 N ATOM 0 H LYS A 77 4.683 -1.377 7.748 1.00 0.00 H new ATOM 0 HA LYS A 77 3.111 -0.127 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.930 -1.177 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.235 0.374 9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.073 -0.705 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.189 -2.214 7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.130 -1.852 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.706 -1.236 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.647 1.056 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.867 0.504 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.924 1.329 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.063 -0.337 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.849 0.226 8.716 1.00 0.00 H new ATOM 1224 N PRO A 78 2.557 2.301 7.741 1.00 0.00 N ATOM 1225 CA PRO A 78 2.481 3.720 8.073 1.00 0.00 C ATOM 1226 C PRO A 78 1.733 3.913 9.392 1.00 0.00 C ATOM 1227 O PRO A 78 2.327 4.325 10.388 1.00 0.00 O ATOM 1228 CB PRO A 78 1.695 4.324 6.891 1.00 0.00 C ATOM 1229 CG PRO A 78 1.702 3.261 5.842 1.00 0.00 C ATOM 1230 CD PRO A 78 1.695 1.977 6.606 1.00 0.00 C ATOM 0 HA PRO A 78 3.456 4.188 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.678 4.583 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.165 5.239 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.831 3.340 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.583 3.338 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.691 1.695 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.088 1.148 6.017 1.00 0.00 H new ATOM 1238 N LYS A 79 0.443 3.569 9.388 1.00 0.00 N ATOM 1239 CA LYS A 79 -0.408 3.638 10.580 1.00 0.00 C ATOM 1240 C LYS A 79 -0.320 5.000 11.285 1.00 0.00 C ATOM 1241 O LYS A 79 -0.886 5.982 10.808 1.00 0.00 O ATOM 1242 CB LYS A 79 -0.077 2.487 11.540 1.00 0.00 C ATOM 1243 CG LYS A 79 -0.269 1.114 10.913 1.00 0.00 C ATOM 1244 CD LYS A 79 -0.022 -0.010 11.904 1.00 0.00 C ATOM 1245 CE LYS A 79 -1.047 -0.013 13.028 1.00 0.00 C ATOM 1246 NZ LYS A 79 -0.947 -1.243 13.855 1.00 0.00 N ATOM 0 H LYS A 79 -0.043 3.234 8.556 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.442 3.529 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.956 2.586 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.708 2.567 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.283 1.034 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.409 1.005 10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.053 -0.967 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.978 0.091 12.325 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.899 0.863 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.050 0.063 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.482 -1.113 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.339 -2.049 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.051 -1.430 14.080 1.00 0.00 H new ATOM 1260 N GLY A 80 0.397 5.065 12.403 1.00 0.00 N ATOM 1261 CA GLY A 80 0.542 6.320 13.118 1.00 0.00 C ATOM 1262 C GLY A 80 1.988 6.748 13.197 1.00 0.00 C ATOM 1263 O GLY A 80 2.326 7.723 13.866 1.00 0.00 O ATOM 0 H GLY A 80 0.879 4.272 12.826 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.041 7.094 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.137 6.215 14.125 1.00 0.00 H new ATOM 1267 N ALA A 81 2.842 6.007 12.514 1.00 0.00 N ATOM 1268 CA ALA A 81 4.268 6.286 12.507 1.00 0.00 C ATOM 1269 C ALA A 81 4.681 6.913 11.186 1.00 0.00 C ATOM 1270 O ALA A 81 5.473 7.856 11.169 1.00 0.00 O ATOM 1271 CB ALA A 81 5.051 5.006 12.754 1.00 0.00 C ATOM 0 H ALA A 81 2.570 5.200 11.952 1.00 0.00 H new ATOM 0 HA ALA A 81 4.490 6.993 13.306 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.119 5.225 12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.772 4.590 13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.824 4.284 11.970 1.00 0.00 H new ATOM 1277 N PHE A 82 4.126 6.397 10.089 1.00 0.00 N ATOM 1278 CA PHE A 82 4.460 6.873 8.747 1.00 0.00 C ATOM 1279 C PHE A 82 5.972 6.863 8.550 1.00 0.00 C ATOM 1280 O PHE A 82 6.574 7.873 8.182 1.00 0.00 O ATOM 1281 CB PHE A 82 3.910 8.285 8.511 1.00 0.00 C ATOM 1282 CG PHE A 82 2.417 8.398 8.659 1.00 0.00 C ATOM 1283 CD1 PHE A 82 1.569 7.985 7.643 1.00 0.00 C ATOM 1284 CD2 PHE A 82 1.863 8.925 9.816 1.00 0.00 C ATOM 1285 CE1 PHE A 82 0.197 8.094 7.778 1.00 0.00 C ATOM 1286 CE2 PHE A 82 0.493 9.038 9.955 1.00 0.00 C ATOM 1287 CZ PHE A 82 -0.341 8.622 8.935 1.00 0.00 C ATOM 0 H PHE A 82 3.438 5.644 10.105 1.00 0.00 H new ATOM 0 HA PHE A 82 3.998 6.201 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.386 8.970 9.212 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.190 8.609 7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.985 7.573 6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.510 9.251 10.617 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.453 7.767 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.074 9.451 10.861 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.412 8.710 9.042 1.00 0.00 H new ATOM 1297 N LYS A 83 6.579 5.709 8.808 1.00 0.00 N ATOM 1298 CA LYS A 83 8.029 5.601 8.814 1.00 0.00 C ATOM 1299 C LYS A 83 8.617 5.824 7.422 1.00 0.00 C ATOM 1300 O LYS A 83 9.648 6.480 7.283 1.00 0.00 O ATOM 1301 CB LYS A 83 8.475 4.251 9.413 1.00 0.00 C ATOM 1302 CG LYS A 83 8.063 3.001 8.636 1.00 0.00 C ATOM 1303 CD LYS A 83 9.130 2.579 7.629 1.00 0.00 C ATOM 1304 CE LYS A 83 10.503 2.400 8.275 1.00 0.00 C ATOM 1305 NZ LYS A 83 10.551 1.246 9.217 1.00 0.00 N ATOM 0 H LYS A 83 6.089 4.839 9.015 1.00 0.00 H new ATOM 0 HA LYS A 83 8.420 6.393 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.561 4.257 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.073 4.175 10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.879 2.184 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.126 3.191 8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.830 1.644 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.198 3.328 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.251 2.258 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.770 3.311 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.521 1.130 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.907 1.422 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.259 0.380 8.720 1.00 0.00 H new ATOM 1319 N ALA A 84 7.951 5.305 6.395 1.00 0.00 N ATOM 1320 CA ALA A 84 8.433 5.438 5.026 1.00 0.00 C ATOM 1321 C ALA A 84 7.380 4.994 4.025 1.00 0.00 C ATOM 1322 O ALA A 84 6.453 4.249 4.365 1.00 0.00 O ATOM 1323 CB ALA A 84 9.706 4.627 4.819 1.00 0.00 C ATOM 0 H ALA A 84 7.076 4.789 6.486 1.00 0.00 H new ATOM 0 HA ALA A 84 8.650 6.493 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.047 4.742 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.479 4.984 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.504 3.575 5.019 1.00 0.00 H new ATOM 1329 N PHE A 85 7.539 5.463 2.799 1.00 0.00 N ATOM 1330 CA PHE A 85 6.683 5.071 1.693 1.00 0.00 C ATOM 1331 C PHE A 85 7.532 4.853 0.441 1.00 0.00 C ATOM 1332 O PHE A 85 7.222 5.341 -0.648 1.00 0.00 O ATOM 1333 CB PHE A 85 5.588 6.124 1.454 1.00 0.00 C ATOM 1334 CG PHE A 85 6.076 7.552 1.464 1.00 0.00 C ATOM 1335 CD1 PHE A 85 6.548 8.152 0.307 1.00 0.00 C ATOM 1336 CD2 PHE A 85 6.051 8.296 2.634 1.00 0.00 C ATOM 1337 CE1 PHE A 85 6.989 9.461 0.318 1.00 0.00 C ATOM 1338 CE2 PHE A 85 6.492 9.605 2.650 1.00 0.00 C ATOM 1339 CZ PHE A 85 6.960 10.187 1.490 1.00 0.00 C ATOM 0 H PHE A 85 8.268 6.129 2.542 1.00 0.00 H new ATOM 0 HA PHE A 85 6.184 4.134 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.113 5.923 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.820 6.011 2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.571 7.589 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.682 7.846 3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.356 9.915 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.470 10.172 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.304 11.211 1.500 1.00 0.00 H new ATOM 1349 N THR A 86 8.621 4.120 0.614 1.00 0.00 N ATOM 1350 CA THR A 86 9.548 3.856 -0.469 1.00 0.00 C ATOM 1351 C THR A 86 9.281 2.498 -1.109 1.00 0.00 C ATOM 1352 O THR A 86 9.188 1.480 -0.418 1.00 0.00 O ATOM 1353 CB THR A 86 11.004 3.910 0.036 1.00 0.00 C ATOM 1354 OG1 THR A 86 11.132 3.148 1.247 1.00 0.00 O ATOM 1355 CG2 THR A 86 11.433 5.346 0.289 1.00 0.00 C ATOM 0 H THR A 86 8.884 3.695 1.503 1.00 0.00 H new ATOM 0 HA THR A 86 9.399 4.630 -1.222 1.00 0.00 H new ATOM 0 HB THR A 86 11.649 3.483 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.371 2.223 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.463 5.361 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.361 5.916 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.783 5.793 1.041 1.00 0.00 H new ATOM 1363 N GLY A 87 9.137 2.493 -2.424 1.00 0.00 N ATOM 1364 CA GLY A 87 8.989 1.253 -3.157 1.00 0.00 C ATOM 1365 C GLY A 87 9.963 1.185 -4.310 1.00 0.00 C ATOM 1366 O GLY A 87 10.327 2.228 -4.862 1.00 0.00 O ATOM 0 H GLY A 87 9.120 3.333 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.154 0.409 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.969 1.168 -3.532 1.00 0.00 H new ATOM 1370 N GLU A 88 10.413 -0.030 -4.642 1.00 0.00 N ATOM 1371 CA GLU A 88 11.365 -0.270 -5.735 1.00 0.00 C ATOM 1372 C GLU A 88 12.786 0.102 -5.307 1.00 0.00 C ATOM 1373 O GLU A 88 13.746 -0.605 -5.616 1.00 0.00 O ATOM 1374 CB GLU A 88 10.961 0.491 -7.011 1.00 0.00 C ATOM 1375 CG GLU A 88 11.935 0.341 -8.172 1.00 0.00 C ATOM 1376 CD GLU A 88 12.066 -1.087 -8.659 1.00 0.00 C ATOM 1377 OE1 GLU A 88 11.084 -1.624 -9.210 1.00 0.00 O ATOM 1378 OE2 GLU A 88 13.162 -1.667 -8.520 1.00 0.00 O ATOM 0 H GLU A 88 10.126 -0.880 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 88 11.343 -1.335 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.979 0.143 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.862 1.550 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.606 0.971 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.915 0.705 -7.865 1.00 0.00 H new ATOM 1385 N GLY A 89 12.913 1.207 -4.590 1.00 0.00 N ATOM 1386 CA GLY A 89 14.205 1.630 -4.102 1.00 0.00 C ATOM 1387 C GLY A 89 14.208 1.841 -2.606 1.00 0.00 C ATOM 1388 O GLY A 89 13.850 2.913 -2.123 1.00 0.00 O ATOM 0 H GLY A 89 12.139 1.821 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.953 0.882 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.494 2.556 -4.599 1.00 0.00 H new ATOM 1392 N GLN A 90 14.598 0.811 -1.871 1.00 0.00 N ATOM 1393 CA GLN A 90 14.715 0.907 -0.425 1.00 0.00 C ATOM 1394 C GLN A 90 16.064 1.509 -0.076 1.00 0.00 C ATOM 1395 O GLN A 90 16.224 2.178 0.945 1.00 0.00 O ATOM 1396 CB GLN A 90 14.553 -0.470 0.224 1.00 0.00 C ATOM 1397 CG GLN A 90 13.255 -1.163 -0.154 1.00 0.00 C ATOM 1398 CD GLN A 90 12.039 -0.287 0.081 1.00 0.00 C ATOM 1399 OE1 GLN A 90 12.014 0.543 0.992 1.00 0.00 O ATOM 1400 NE2 GLN A 90 11.024 -0.452 -0.746 1.00 0.00 N ATOM 0 H GLN A 90 14.839 -0.103 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 90 13.922 1.549 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 90 15.392 -1.102 -0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.596 -0.361 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.293 -1.451 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.155 -2.081 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.080 -1.149 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.184 0.117 -0.642 1.00 0.00 H new ATOM 1409 N LYS A 91 17.026 1.262 -0.949 1.00 0.00 N ATOM 1410 CA LYS A 91 18.337 1.874 -0.858 1.00 0.00 C ATOM 1411 C LYS A 91 18.496 2.857 -2.014 1.00 0.00 C ATOM 1412 O LYS A 91 19.040 2.519 -3.064 1.00 0.00 O ATOM 1413 CB LYS A 91 19.420 0.793 -0.909 1.00 0.00 C ATOM 1414 CG LYS A 91 20.836 1.308 -0.698 1.00 0.00 C ATOM 1415 CD LYS A 91 21.847 0.176 -0.783 1.00 0.00 C ATOM 1416 CE LYS A 91 23.267 0.652 -0.508 1.00 0.00 C ATOM 1417 NZ LYS A 91 23.437 1.138 0.887 1.00 0.00 N ATOM 0 H LYS A 91 16.918 0.630 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 91 18.440 2.409 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.203 0.043 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.370 0.291 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.067 2.064 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 91 20.909 1.793 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.581 -0.601 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.802 -0.275 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.964 -0.165 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.521 1.452 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 24.447 1.291 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 22.921 2.033 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.061 0.430 1.550 1.00 0.00 H new ATOM 1431 N LEU A 92 17.988 4.065 -1.825 1.00 0.00 N ATOM 1432 CA LEU A 92 17.935 5.047 -2.901 1.00 0.00 C ATOM 1433 C LEU A 92 19.034 6.098 -2.773 1.00 0.00 C ATOM 1434 O LEU A 92 18.943 7.181 -3.356 1.00 0.00 O ATOM 1435 CB LEU A 92 16.546 5.709 -2.949 1.00 0.00 C ATOM 1436 CG LEU A 92 15.929 6.104 -1.597 1.00 0.00 C ATOM 1437 CD1 LEU A 92 16.667 7.274 -0.960 1.00 0.00 C ATOM 1438 CD2 LEU A 92 14.458 6.443 -1.772 1.00 0.00 C ATOM 0 H LEU A 92 17.606 4.391 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 92 18.108 4.519 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.615 6.604 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.860 5.027 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 92 16.025 5.250 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.201 7.523 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.709 7.000 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.620 8.138 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.032 6.721 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.357 7.276 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.929 5.575 -2.166 1.00 0.00 H new ATOM 1450 N GLY A 93 20.072 5.777 -2.018 1.00 0.00 N ATOM 1451 CA GLY A 93 21.168 6.704 -1.840 1.00 0.00 C ATOM 1452 C GLY A 93 22.507 6.089 -2.186 1.00 0.00 C ATOM 1453 O GLY A 93 23.359 5.916 -1.315 1.00 0.00 O ATOM 0 H GLY A 93 20.175 4.890 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 93 21.002 7.582 -2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 93 21.185 7.047 -0.806 1.00 0.00 H new ATOM 1457 N SER A 94 22.687 5.749 -3.452 1.00 0.00 N ATOM 1458 CA SER A 94 23.935 5.172 -3.922 1.00 0.00 C ATOM 1459 C SER A 94 24.514 5.995 -5.071 1.00 0.00 C ATOM 1460 O SER A 94 23.898 6.970 -5.509 1.00 0.00 O ATOM 1461 CB SER A 94 23.706 3.727 -4.362 1.00 0.00 C ATOM 1462 OG SER A 94 23.299 2.922 -3.267 1.00 0.00 O ATOM 0 H SER A 94 21.979 5.864 -4.177 1.00 0.00 H new ATOM 0 HA SER A 94 24.654 5.183 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 94 22.946 3.697 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.623 3.325 -4.793 1.00 0.00 H new ATOM 0 HG SER A 94 23.157 2.002 -3.573 1.00 0.00 H new ATOM 1468 N THR A 95 25.691 5.585 -5.556 1.00 0.00 N ATOM 1469 CA THR A 95 26.410 6.284 -6.625 1.00 0.00 C ATOM 1470 C THR A 95 26.537 7.778 -6.343 1.00 0.00 C ATOM 1471 O THR A 95 25.758 8.597 -6.841 1.00 0.00 O ATOM 1472 CB THR A 95 25.785 6.048 -8.020 1.00 0.00 C ATOM 1473 OG1 THR A 95 24.354 6.122 -7.966 1.00 0.00 O ATOM 1474 CG2 THR A 95 26.213 4.697 -8.572 1.00 0.00 C ATOM 0 H THR A 95 26.174 4.754 -5.215 1.00 0.00 H new ATOM 0 HA THR A 95 27.411 5.853 -6.640 1.00 0.00 H new ATOM 0 HB THR A 95 26.144 6.835 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 95 24.086 6.774 -7.285 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.765 4.547 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 95 27.299 4.668 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.883 3.907 -7.897 1.00 0.00 H new ATOM 1482 N ALA A 96 27.537 8.114 -5.542 1.00 0.00 N ATOM 1483 CA ALA A 96 27.777 9.483 -5.112 1.00 0.00 C ATOM 1484 C ALA A 96 29.173 9.593 -4.514 1.00 0.00 C ATOM 1485 O ALA A 96 29.381 9.240 -3.353 1.00 0.00 O ATOM 1486 CB ALA A 96 26.728 9.921 -4.095 1.00 0.00 C ATOM 0 H ALA A 96 28.208 7.441 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 96 27.704 10.142 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 96 26.926 10.948 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 96 25.737 9.862 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 96 26.770 9.266 -3.224 1.00 0.00 H new ATOM 1492 N PRO A 97 30.152 10.053 -5.313 1.00 0.00 N ATOM 1493 CA PRO A 97 31.556 10.156 -4.891 1.00 0.00 C ATOM 1494 C PRO A 97 31.763 11.166 -3.766 1.00 0.00 C ATOM 1495 O PRO A 97 32.052 12.341 -4.006 1.00 0.00 O ATOM 1496 CB PRO A 97 32.294 10.606 -6.160 1.00 0.00 C ATOM 1497 CG PRO A 97 31.346 10.338 -7.278 1.00 0.00 C ATOM 1498 CD PRO A 97 29.972 10.502 -6.699 1.00 0.00 C ATOM 0 HA PRO A 97 31.918 9.210 -4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 97 32.555 11.663 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 97 33.224 10.054 -6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 97 31.508 11.032 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 97 31.485 9.333 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 97 29.632 11.536 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 97 29.235 9.898 -7.228 1.00 0.00 H new ATOM 1506 N GLN A 98 31.610 10.693 -2.541 1.00 0.00 N ATOM 1507 CA GLN A 98 31.799 11.508 -1.349 1.00 0.00 C ATOM 1508 C GLN A 98 32.623 10.724 -0.335 1.00 0.00 C ATOM 1509 O GLN A 98 33.401 9.847 -0.713 1.00 0.00 O ATOM 1510 CB GLN A 98 30.440 11.895 -0.747 1.00 0.00 C ATOM 1511 CG GLN A 98 29.632 12.860 -1.605 1.00 0.00 C ATOM 1512 CD GLN A 98 30.225 14.257 -1.639 1.00 0.00 C ATOM 1513 OE1 GLN A 98 29.894 15.100 -0.809 1.00 0.00 O ATOM 1514 NE2 GLN A 98 31.100 14.512 -2.597 1.00 0.00 N ATOM 0 H GLN A 98 31.350 9.727 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 98 32.327 12.424 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 98 29.854 10.990 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 98 30.603 12.346 0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 98 29.571 12.471 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 98 28.613 12.912 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 98 31.349 13.785 -3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 98 31.526 15.436 -2.666 1.00 0.00 H new ATOM 1523 N VAL A 99 32.465 11.037 0.943 1.00 0.00 N ATOM 1524 CA VAL A 99 33.130 10.278 1.992 1.00 0.00 C ATOM 1525 C VAL A 99 32.544 8.871 2.054 1.00 0.00 C ATOM 1526 O VAL A 99 33.269 7.878 2.142 1.00 0.00 O ATOM 1527 CB VAL A 99 32.986 10.955 3.371 1.00 0.00 C ATOM 1528 CG1 VAL A 99 33.746 10.175 4.432 1.00 0.00 C ATOM 1529 CG2 VAL A 99 33.470 12.397 3.319 1.00 0.00 C ATOM 0 H VAL A 99 31.885 11.807 1.277 1.00 0.00 H new ATOM 0 HA VAL A 99 34.192 10.235 1.749 1.00 0.00 H new ATOM 0 HB VAL A 99 31.929 10.960 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 99 33.632 10.668 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 99 33.349 9.162 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 99 34.803 10.135 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 99 33.359 12.854 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 99 34.520 12.418 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 99 32.879 12.953 2.592 1.00 0.00 H new ATOM 1539 N LEU A 100 31.223 8.796 1.990 1.00 0.00 N ATOM 1540 CA LEU A 100 30.532 7.517 1.980 1.00 0.00 C ATOM 1541 C LEU A 100 30.012 7.194 0.583 1.00 0.00 C ATOM 1542 O LEU A 100 29.893 8.081 -0.266 1.00 0.00 O ATOM 1543 CB LEU A 100 29.359 7.505 2.972 1.00 0.00 C ATOM 1544 CG LEU A 100 29.731 7.450 4.458 1.00 0.00 C ATOM 1545 CD1 LEU A 100 30.268 8.787 4.942 1.00 0.00 C ATOM 1546 CD2 LEU A 100 28.527 7.029 5.285 1.00 0.00 C ATOM 0 H LEU A 100 30.608 9.608 1.944 1.00 0.00 H new ATOM 0 HA LEU A 100 31.254 6.759 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 100 28.757 8.398 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 100 28.727 6.647 2.745 1.00 0.00 H new ATOM 0 HG LEU A 100 30.521 6.710 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 100 30.523 8.716 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 100 31.159 9.050 4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 100 29.508 9.556 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 100 28.804 6.994 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 100 27.720 7.749 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 100 28.192 6.042 4.964 1.00 0.00 H new ATOM 1558 N SER A 101 29.720 5.911 0.364 1.00 0.00 N ATOM 1559 CA SER A 101 29.119 5.424 -0.876 1.00 0.00 C ATOM 1560 C SER A 101 30.117 5.407 -2.033 1.00 0.00 C ATOM 1561 O SER A 101 30.749 4.381 -2.292 1.00 0.00 O ATOM 1562 CB SER A 101 27.872 6.245 -1.250 1.00 0.00 C ATOM 1563 OG SER A 101 27.331 5.834 -2.497 1.00 0.00 O ATOM 0 H SER A 101 29.896 5.176 1.049 1.00 0.00 H new ATOM 0 HA SER A 101 28.813 4.394 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 101 27.117 6.136 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 101 28.132 7.302 -1.296 1.00 0.00 H new ATOM 0 HG SER A 101 26.540 6.374 -2.704 1.00 0.00 H new ATOM 1569 N THR A 102 30.279 6.551 -2.692 1.00 0.00 N ATOM 1570 CA THR A 102 30.991 6.622 -3.961 1.00 0.00 C ATOM 1571 C THR A 102 30.370 5.635 -4.954 1.00 0.00 C ATOM 1572 O THR A 102 30.925 4.531 -5.152 1.00 0.00 O ATOM 1573 CB THR A 102 32.505 6.360 -3.794 1.00 0.00 C ATOM 1574 OG1 THR A 102 33.057 7.299 -2.858 1.00 0.00 O ATOM 1575 CG2 THR A 102 33.239 6.490 -5.126 1.00 0.00 C ATOM 1576 OXT THR A 102 29.286 5.954 -5.486 1.00 0.00 O ATOM 0 H THR A 102 29.923 7.448 -2.363 1.00 0.00 H new ATOM 0 HA THR A 102 30.891 7.635 -4.350 1.00 0.00 H new ATOM 0 HB THR A 102 32.633 5.342 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 102 34.017 7.130 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 102 34.302 6.300 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 102 32.838 5.766 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 102 33.103 7.497 -5.520 1.00 0.00 H new TER 1584 THR A 102