USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 851 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 99 SER OG : rot 25:sc= 0.522 USER MOD Set 1.2: A 104 TYR OH : rot 156:sc= 0.00838 USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -3.76! C(o=-11!,f=-4.2!) USER MOD Set 2.2: A 68 SER OG : rot 160:sc= -0.454 USER MOD Set 3.1: A 34 TYR OH : rot 33:sc= -3.14! USER MOD Set 3.2: A 88 ASN : amide:sc= -0.106 X(o=-3.2,f=-3.2) USER MOD Set 4.1: A 1 ARG N :NH3+ -161:sc= -0.154 (180deg=-0.718) USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=-0.12) USER MOD Single : A 6 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.245 K(o=0.24,f=-1.4) USER MOD Single : A 8 HIS : no HD1:sc= -0.0812 X(o=-0.081,f=-0.35) USER MOD Single : A 9 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-3.2) USER MOD Single : A 11 SER OG : rot 23:sc= 0.0947 USER MOD Single : A 14 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0385 USER MOD Single : A 20 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.26) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -62:sc= -2.45! USER MOD Single : A 26 LYS NZ :NH3+ 163:sc=-0.00465 (180deg=-0.201) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -83:sc= -4.04! USER MOD Single : A 49 HIS : no HE2:sc= -9.01! C(o=-9!,f=-11!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.273 K(o=-0.27,f=-7.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 145:sc= -0.252 (180deg=-1.44!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.184! F(o=-1.4,f=-0.18!) USER MOD Single : A 81 MET CE :methyl 136:sc= -2.38 (180deg=-5.36!) USER MOD Single : A 82 SER OG : rot 100:sc= -6.4! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -157:sc= -1.54 (180deg=-3.13!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= -0.409 (180deg=-1.73!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -23.145 0.834 -14.499 1.00 0.00 N ATOM 2 CA ARG A 1 -23.018 1.871 -13.436 1.00 0.00 C ATOM 3 C ARG A 1 -21.538 2.153 -13.174 1.00 0.00 C ATOM 4 O ARG A 1 -21.079 2.119 -12.049 1.00 0.00 O ATOM 5 CB ARG A 1 -23.678 1.366 -12.151 1.00 0.00 C ATOM 6 CG ARG A 1 -25.152 1.062 -12.420 1.00 0.00 C ATOM 7 CD ARG A 1 -25.815 0.567 -11.132 1.00 0.00 C ATOM 8 NE ARG A 1 -27.184 0.066 -11.438 1.00 0.00 N ATOM 9 CZ ARG A 1 -28.009 -0.213 -10.466 1.00 0.00 C ATOM 10 NH1 ARG A 1 -27.547 -0.593 -9.307 1.00 0.00 N ATOM 11 NH2 ARG A 1 -29.297 -0.114 -10.655 1.00 0.00 N ATOM 0 H1 ARG A 1 -24.102 0.868 -14.904 1.00 0.00 H new ATOM 0 H2 ARG A 1 -22.446 1.016 -15.247 1.00 0.00 H new ATOM 0 H3 ARG A 1 -22.976 -0.106 -14.089 1.00 0.00 H new ATOM 0 HA ARG A 1 -23.510 2.788 -13.761 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -23.170 0.469 -11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -23.588 2.115 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -25.659 1.957 -12.782 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -25.242 0.307 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -25.217 -0.227 -10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -25.867 1.376 -10.403 1.00 0.00 H new ATOM 0 HE ARG A 1 -27.477 -0.059 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -26.541 -0.672 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -28.192 -0.811 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -29.658 0.181 -11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -29.942 -0.332 -9.896 1.00 0.00 H new ATOM 27 N GLY A 2 -20.787 2.433 -14.204 1.00 0.00 N ATOM 28 CA GLY A 2 -19.337 2.718 -14.014 1.00 0.00 C ATOM 29 C GLY A 2 -18.630 1.456 -13.514 1.00 0.00 C ATOM 30 O GLY A 2 -17.613 1.524 -12.853 1.00 0.00 O ATOM 0 H GLY A 2 -21.115 2.477 -15.169 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.894 3.048 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.206 3.529 -13.298 1.00 0.00 H new ATOM 34 N SER A 3 -19.161 0.305 -13.824 1.00 0.00 N ATOM 35 CA SER A 3 -18.519 -0.959 -13.366 1.00 0.00 C ATOM 36 C SER A 3 -17.106 -1.053 -13.947 1.00 0.00 C ATOM 37 O SER A 3 -16.237 -1.693 -13.389 1.00 0.00 O ATOM 38 CB SER A 3 -19.346 -2.153 -13.844 1.00 0.00 C ATOM 39 OG SER A 3 -20.685 -2.014 -13.391 1.00 0.00 O ATOM 0 H SER A 3 -20.011 0.186 -14.374 1.00 0.00 H new ATOM 0 HA SER A 3 -18.466 -0.966 -12.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.323 -2.212 -14.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.917 -3.081 -13.465 1.00 0.00 H new ATOM 0 HG SER A 3 -21.215 -2.778 -13.699 1.00 0.00 H new ATOM 45 N HIS A 4 -16.870 -0.419 -15.063 1.00 0.00 N ATOM 46 CA HIS A 4 -15.516 -0.473 -15.679 1.00 0.00 C ATOM 47 C HIS A 4 -14.516 0.261 -14.782 1.00 0.00 C ATOM 48 O HIS A 4 -13.411 -0.195 -14.564 1.00 0.00 O ATOM 49 CB HIS A 4 -15.554 0.197 -17.055 1.00 0.00 C ATOM 50 CG HIS A 4 -16.426 -0.608 -17.978 1.00 0.00 C ATOM 51 ND1 HIS A 4 -15.970 -1.748 -18.620 1.00 0.00 N ATOM 52 CD2 HIS A 4 -17.732 -0.451 -18.376 1.00 0.00 C ATOM 53 CE1 HIS A 4 -16.982 -2.229 -19.364 1.00 0.00 C ATOM 54 NE2 HIS A 4 -18.080 -1.476 -19.251 1.00 0.00 N ATOM 0 H HIS A 4 -17.558 0.134 -15.574 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.209 -1.513 -15.789 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.939 1.213 -16.967 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.546 0.273 -17.463 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.388 0.346 -18.058 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.915 -3.115 -19.978 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -18.980 -1.621 -19.708 1.00 0.00 H new ATOM 62 N HIS A 5 -14.895 1.395 -14.260 1.00 0.00 N ATOM 63 CA HIS A 5 -13.965 2.156 -13.378 1.00 0.00 C ATOM 64 C HIS A 5 -14.581 2.294 -11.984 1.00 0.00 C ATOM 65 O HIS A 5 -15.648 2.853 -11.819 1.00 0.00 O ATOM 66 CB HIS A 5 -13.723 3.546 -13.970 1.00 0.00 C ATOM 67 CG HIS A 5 -13.007 3.411 -15.286 1.00 0.00 C ATOM 68 ND1 HIS A 5 -11.957 2.525 -15.469 1.00 0.00 N ATOM 69 CD2 HIS A 5 -13.181 4.039 -16.494 1.00 0.00 C ATOM 70 CE1 HIS A 5 -11.542 2.644 -16.743 1.00 0.00 C ATOM 71 NE2 HIS A 5 -12.254 3.554 -17.413 1.00 0.00 N ATOM 0 H HIS A 5 -15.807 1.827 -14.406 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.017 1.623 -13.304 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.672 4.063 -14.111 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.131 4.149 -13.281 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.924 4.795 -16.700 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.732 2.073 -17.172 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.143 3.833 -18.388 1.00 0.00 H new ATOM 79 N HIS A 6 -13.918 1.789 -10.980 1.00 0.00 N ATOM 80 CA HIS A 6 -14.465 1.890 -9.599 1.00 0.00 C ATOM 81 C HIS A 6 -14.128 3.262 -9.013 1.00 0.00 C ATOM 82 O HIS A 6 -14.602 3.630 -7.957 1.00 0.00 O ATOM 83 CB HIS A 6 -13.848 0.796 -8.725 1.00 0.00 C ATOM 84 CG HIS A 6 -14.217 -0.554 -9.277 1.00 0.00 C ATOM 85 ND1 HIS A 6 -13.294 -1.581 -9.395 1.00 0.00 N ATOM 86 CD2 HIS A 6 -15.403 -1.060 -9.746 1.00 0.00 C ATOM 87 CE1 HIS A 6 -13.935 -2.643 -9.918 1.00 0.00 C ATOM 88 NE2 HIS A 6 -15.223 -2.379 -10.151 1.00 0.00 N ATOM 0 H HIS A 6 -13.020 1.311 -11.057 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.547 1.765 -9.628 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.764 0.906 -8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.204 0.891 -7.699 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.335 -0.517 -9.794 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.465 -3.593 -10.124 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.924 -3.009 -10.542 1.00 0.00 H new ATOM 96 N HIS A 7 -13.311 4.023 -9.689 1.00 0.00 N ATOM 97 CA HIS A 7 -12.944 5.370 -9.170 1.00 0.00 C ATOM 98 C HIS A 7 -12.347 5.230 -7.767 1.00 0.00 C ATOM 99 O HIS A 7 -12.193 4.140 -7.254 1.00 0.00 O ATOM 100 CB HIS A 7 -14.195 6.249 -9.106 1.00 0.00 C ATOM 101 CG HIS A 7 -14.682 6.530 -10.501 1.00 0.00 C ATOM 102 ND1 HIS A 7 -15.482 5.638 -11.198 1.00 0.00 N ATOM 103 CD2 HIS A 7 -14.490 7.598 -11.342 1.00 0.00 C ATOM 104 CE1 HIS A 7 -15.740 6.181 -12.402 1.00 0.00 C ATOM 105 NE2 HIS A 7 -15.159 7.375 -12.542 1.00 0.00 N ATOM 0 H HIS A 7 -12.882 3.769 -10.579 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.211 5.829 -9.833 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -14.975 5.749 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.970 7.184 -8.593 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -15.814 4.735 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.908 8.477 -11.108 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.344 5.708 -13.163 1.00 0.00 H new ATOM 113 N HIS A 8 -12.012 6.326 -7.144 1.00 0.00 N ATOM 114 CA HIS A 8 -11.426 6.255 -5.775 1.00 0.00 C ATOM 115 C HIS A 8 -12.325 7.011 -4.796 1.00 0.00 C ATOM 116 O HIS A 8 -12.808 8.087 -5.087 1.00 0.00 O ATOM 117 CB HIS A 8 -10.034 6.890 -5.782 1.00 0.00 C ATOM 118 CG HIS A 8 -9.008 5.847 -6.133 1.00 0.00 C ATOM 119 ND1 HIS A 8 -8.847 4.689 -5.387 1.00 0.00 N ATOM 120 CD2 HIS A 8 -8.083 5.773 -7.144 1.00 0.00 C ATOM 121 CE1 HIS A 8 -7.859 3.975 -5.956 1.00 0.00 C ATOM 122 NE2 HIS A 8 -7.358 4.590 -7.030 1.00 0.00 N ATOM 0 H HIS A 8 -12.118 7.267 -7.523 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.348 5.212 -5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.999 7.707 -6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.813 7.318 -4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.939 6.519 -7.911 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.513 3.020 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.606 4.263 -7.637 1.00 0.00 H new ATOM 130 N HIS A 9 -12.553 6.457 -3.636 1.00 0.00 N ATOM 131 CA HIS A 9 -13.422 7.147 -2.641 1.00 0.00 C ATOM 132 C HIS A 9 -12.856 8.539 -2.350 1.00 0.00 C ATOM 133 O HIS A 9 -13.543 9.406 -1.848 1.00 0.00 O ATOM 134 CB HIS A 9 -13.463 6.330 -1.347 1.00 0.00 C ATOM 135 CG HIS A 9 -12.143 6.448 -0.634 1.00 0.00 C ATOM 136 ND1 HIS A 9 -10.932 6.316 -1.294 1.00 0.00 N ATOM 137 CD2 HIS A 9 -11.830 6.684 0.681 1.00 0.00 C ATOM 138 CE1 HIS A 9 -9.954 6.473 -0.383 1.00 0.00 C ATOM 139 NE2 HIS A 9 -10.447 6.700 0.838 1.00 0.00 N ATOM 0 H HIS A 9 -12.176 5.558 -3.335 1.00 0.00 H new ATOM 0 HA HIS A 9 -14.431 7.242 -3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -14.268 6.687 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.674 5.285 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.548 6.834 1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.900 6.422 -0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.923 6.852 1.700 1.00 0.00 H new ATOM 147 N GLY A 10 -11.608 8.759 -2.660 1.00 0.00 N ATOM 148 CA GLY A 10 -11.000 10.095 -2.402 1.00 0.00 C ATOM 149 C GLY A 10 -11.303 11.028 -3.576 1.00 0.00 C ATOM 150 O GLY A 10 -12.182 10.771 -4.374 1.00 0.00 O ATOM 0 H GLY A 10 -10.983 8.072 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.397 10.515 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.922 9.997 -2.270 1.00 0.00 H new ATOM 154 N SER A 11 -10.579 12.109 -3.690 1.00 0.00 N ATOM 155 CA SER A 11 -10.829 13.055 -4.814 1.00 0.00 C ATOM 156 C SER A 11 -9.505 13.680 -5.260 1.00 0.00 C ATOM 157 O SER A 11 -8.729 14.153 -4.454 1.00 0.00 O ATOM 158 CB SER A 11 -11.781 14.158 -4.351 1.00 0.00 C ATOM 159 OG SER A 11 -13.123 13.713 -4.489 1.00 0.00 O ATOM 0 H SER A 11 -9.827 12.377 -3.055 1.00 0.00 H new ATOM 0 HA SER A 11 -11.276 12.515 -5.649 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.577 14.417 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.623 15.061 -4.941 1.00 0.00 H new ATOM 0 HG SER A 11 -13.145 12.733 -4.487 1.00 0.00 H new ATOM 165 N ALA A 12 -9.242 13.688 -6.537 1.00 0.00 N ATOM 166 CA ALA A 12 -7.970 14.285 -7.034 1.00 0.00 C ATOM 167 C ALA A 12 -8.237 15.704 -7.538 1.00 0.00 C ATOM 168 O ALA A 12 -9.247 15.973 -8.157 1.00 0.00 O ATOM 169 CB ALA A 12 -7.419 13.432 -8.179 1.00 0.00 C ATOM 0 H ALA A 12 -9.853 13.307 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.242 14.318 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.489 13.868 -8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.229 12.420 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.146 13.399 -8.991 1.00 0.00 H new ATOM 175 N VAL A 13 -7.343 16.618 -7.276 1.00 0.00 N ATOM 176 CA VAL A 13 -7.552 18.018 -7.741 1.00 0.00 C ATOM 177 C VAL A 13 -6.390 18.436 -8.644 1.00 0.00 C ATOM 178 O VAL A 13 -5.240 18.375 -8.259 1.00 0.00 O ATOM 179 CB VAL A 13 -7.620 18.952 -6.530 1.00 0.00 C ATOM 180 CG1 VAL A 13 -7.910 20.378 -7.001 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.735 18.487 -5.591 1.00 0.00 C ATOM 0 H VAL A 13 -6.478 16.456 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.485 18.079 -8.301 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.667 18.932 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.958 21.043 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.116 20.709 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.863 20.400 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.785 19.151 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.688 18.507 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.528 17.471 -5.255 1.00 0.00 H new ATOM 191 N GLN A 14 -6.681 18.861 -9.843 1.00 0.00 N ATOM 192 CA GLN A 14 -5.590 19.281 -10.768 1.00 0.00 C ATOM 193 C GLN A 14 -5.673 20.792 -10.996 1.00 0.00 C ATOM 194 O GLN A 14 -6.674 21.308 -11.451 1.00 0.00 O ATOM 195 CB GLN A 14 -5.747 18.552 -12.104 1.00 0.00 C ATOM 196 CG GLN A 14 -5.405 17.073 -11.920 1.00 0.00 C ATOM 197 CD GLN A 14 -5.740 16.309 -13.204 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.584 16.728 -13.971 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.110 15.197 -13.470 1.00 0.00 N ATOM 0 H GLN A 14 -7.625 18.936 -10.222 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.623 19.032 -10.331 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.768 18.657 -12.470 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.092 18.997 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.347 16.960 -11.682 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.966 16.660 -11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.401 14.846 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.326 14.680 -14.322 1.00 0.00 H new ATOM 208 N VAL A 15 -4.628 21.508 -10.678 1.00 0.00 N ATOM 209 CA VAL A 15 -4.652 22.985 -10.871 1.00 0.00 C ATOM 210 C VAL A 15 -3.421 23.426 -11.667 1.00 0.00 C ATOM 211 O VAL A 15 -2.323 22.957 -11.444 1.00 0.00 O ATOM 212 CB VAL A 15 -4.644 23.673 -9.506 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.032 25.143 -9.669 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.641 22.981 -8.577 1.00 0.00 C ATOM 0 H VAL A 15 -3.760 21.134 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.553 23.261 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.644 23.609 -9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.026 25.631 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.317 25.637 -10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.030 25.210 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.634 23.473 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.641 23.041 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.360 21.935 -8.456 1.00 0.00 H new ATOM 224 N THR A 16 -3.598 24.331 -12.591 1.00 0.00 N ATOM 225 CA THR A 16 -2.443 24.812 -13.401 1.00 0.00 C ATOM 226 C THR A 16 -2.587 26.317 -13.636 1.00 0.00 C ATOM 227 O THR A 16 -3.679 26.830 -13.773 1.00 0.00 O ATOM 228 CB THR A 16 -2.420 24.081 -14.746 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.535 24.491 -15.524 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.486 22.572 -14.509 1.00 0.00 C ATOM 0 H THR A 16 -4.495 24.759 -12.820 1.00 0.00 H new ATOM 0 HA THR A 16 -1.513 24.612 -12.869 1.00 0.00 H new ATOM 0 HB THR A 16 -1.499 24.322 -15.276 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.521 24.025 -16.386 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.470 22.052 -15.467 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.629 22.260 -13.912 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.406 22.327 -13.979 1.00 0.00 H new ATOM 238 N PHE A 17 -1.495 27.031 -13.677 1.00 0.00 N ATOM 239 CA PHE A 17 -1.579 28.502 -13.898 1.00 0.00 C ATOM 240 C PHE A 17 -0.840 28.879 -15.182 1.00 0.00 C ATOM 241 O PHE A 17 0.194 28.330 -15.498 1.00 0.00 O ATOM 242 CB PHE A 17 -0.928 29.232 -12.722 1.00 0.00 C ATOM 243 CG PHE A 17 -1.670 28.912 -11.449 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.613 27.622 -10.911 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.409 29.909 -10.804 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.297 27.328 -9.725 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.092 29.617 -9.619 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.036 28.325 -9.079 1.00 0.00 C ATOM 0 H PHE A 17 -0.551 26.660 -13.567 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.627 28.788 -13.982 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.116 28.934 -12.630 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.938 30.307 -12.899 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.042 26.853 -11.410 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.452 30.904 -11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.254 26.332 -9.309 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.662 30.387 -9.120 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.563 28.099 -8.164 1.00 0.00 H new ATOM 258 N THR A 18 -1.357 29.822 -15.918 1.00 0.00 N ATOM 259 CA THR A 18 -0.672 30.242 -17.172 1.00 0.00 C ATOM 260 C THR A 18 -0.710 31.768 -17.279 1.00 0.00 C ATOM 261 O THR A 18 -1.754 32.380 -17.176 1.00 0.00 O ATOM 262 CB THR A 18 -1.377 29.623 -18.382 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.584 28.236 -18.149 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.511 29.810 -19.630 1.00 0.00 C ATOM 0 H THR A 18 -2.222 30.319 -15.707 1.00 0.00 H new ATOM 0 HA THR A 18 0.363 29.901 -17.152 1.00 0.00 H new ATOM 0 HB THR A 18 -2.339 30.113 -18.534 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.037 27.838 -18.922 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.013 29.369 -20.491 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.353 30.874 -19.807 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.451 29.320 -19.482 1.00 0.00 H new ATOM 272 N VAL A 19 0.420 32.386 -17.485 1.00 0.00 N ATOM 273 CA VAL A 19 0.446 33.873 -17.598 1.00 0.00 C ATOM 274 C VAL A 19 -0.094 34.282 -18.969 1.00 0.00 C ATOM 275 O VAL A 19 0.242 33.691 -19.976 1.00 0.00 O ATOM 276 CB VAL A 19 1.884 34.367 -17.450 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.898 35.897 -17.406 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.484 33.813 -16.156 1.00 0.00 C ATOM 0 H VAL A 19 1.326 31.927 -17.580 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.172 34.312 -16.815 1.00 0.00 H new ATOM 0 HB VAL A 19 2.474 34.024 -18.300 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.924 36.249 -17.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.472 36.291 -18.329 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.307 36.242 -16.557 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.510 34.166 -16.051 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.894 34.155 -15.306 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.476 32.724 -16.189 1.00 0.00 H new ATOM 288 N GLN A 20 -0.932 35.281 -19.022 1.00 0.00 N ATOM 289 CA GLN A 20 -1.487 35.711 -20.335 1.00 0.00 C ATOM 290 C GLN A 20 -0.988 37.117 -20.677 1.00 0.00 C ATOM 291 O GLN A 20 -0.626 37.890 -19.812 1.00 0.00 O ATOM 292 CB GLN A 20 -3.014 35.717 -20.262 1.00 0.00 C ATOM 293 CG GLN A 20 -3.509 34.341 -19.813 1.00 0.00 C ATOM 294 CD GLN A 20 -3.293 33.327 -20.939 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.714 33.547 -22.057 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.650 32.219 -20.689 1.00 0.00 N ATOM 0 H GLN A 20 -1.255 35.816 -18.216 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.158 35.017 -21.108 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.352 36.483 -19.564 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.434 35.966 -21.236 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.974 34.025 -18.917 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.566 34.391 -19.552 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.297 32.035 -19.750 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.501 31.537 -21.433 1.00 0.00 H new ATOM 305 N LYS A 21 -0.971 37.449 -21.938 1.00 0.00 N ATOM 306 CA LYS A 21 -0.503 38.800 -22.359 1.00 0.00 C ATOM 307 C LYS A 21 -1.181 39.877 -21.507 1.00 0.00 C ATOM 308 O LYS A 21 -2.371 40.100 -21.614 1.00 0.00 O ATOM 309 CB LYS A 21 -0.882 39.018 -23.826 1.00 0.00 C ATOM 310 CG LYS A 21 -0.098 38.042 -24.704 1.00 0.00 C ATOM 311 CD LYS A 21 -0.556 38.182 -26.157 1.00 0.00 C ATOM 312 CE LYS A 21 0.162 37.145 -27.022 1.00 0.00 C ATOM 313 NZ LYS A 21 0.638 37.789 -28.279 1.00 0.00 N ATOM 0 H LYS A 21 -1.263 36.838 -22.701 1.00 0.00 H new ATOM 0 HA LYS A 21 0.577 38.865 -22.230 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.953 38.867 -23.963 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.664 40.045 -24.121 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.970 38.245 -24.627 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.254 37.020 -24.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.635 38.042 -26.224 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.341 39.186 -26.522 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.005 36.722 -26.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.512 36.321 -27.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.126 37.084 -28.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.175 38.173 -28.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.295 38.561 -28.046 1.00 0.00 H new ATOM 327 N GLY A 22 -0.443 40.561 -20.673 1.00 0.00 N ATOM 328 CA GLY A 22 -1.076 41.627 -19.844 1.00 0.00 C ATOM 329 C GLY A 22 -0.421 41.701 -18.461 1.00 0.00 C ATOM 330 O GLY A 22 -0.723 42.579 -17.677 1.00 0.00 O ATOM 0 H GLY A 22 0.559 40.430 -20.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.983 42.589 -20.348 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.142 41.426 -19.736 1.00 0.00 H new ATOM 334 N SER A 23 0.463 40.795 -18.143 1.00 0.00 N ATOM 335 CA SER A 23 1.105 40.848 -16.799 1.00 0.00 C ATOM 336 C SER A 23 1.874 42.165 -16.660 1.00 0.00 C ATOM 337 O SER A 23 2.503 42.628 -17.591 1.00 0.00 O ATOM 338 CB SER A 23 2.063 39.666 -16.632 1.00 0.00 C ATOM 339 OG SER A 23 1.457 38.489 -17.146 1.00 0.00 O ATOM 0 H SER A 23 0.765 40.030 -18.746 1.00 0.00 H new ATOM 0 HA SER A 23 0.338 40.791 -16.027 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.998 39.865 -17.156 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.310 39.530 -15.579 1.00 0.00 H new ATOM 0 HG SER A 23 0.645 38.289 -16.635 1.00 0.00 H new ATOM 345 N ASP A 24 1.823 42.777 -15.506 1.00 0.00 N ATOM 346 CA ASP A 24 2.544 44.071 -15.316 1.00 0.00 C ATOM 347 C ASP A 24 3.273 44.058 -13.969 1.00 0.00 C ATOM 348 O ASP A 24 3.180 43.111 -13.213 1.00 0.00 O ATOM 349 CB ASP A 24 1.538 45.225 -15.344 1.00 0.00 C ATOM 350 CG ASP A 24 0.225 44.751 -15.971 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.366 43.828 -15.434 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.168 45.317 -16.978 1.00 0.00 O ATOM 0 H ASP A 24 1.315 42.438 -14.689 1.00 0.00 H new ATOM 0 HA ASP A 24 3.270 44.204 -16.118 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.358 45.588 -14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.944 46.060 -15.915 1.00 0.00 H new ATOM 357 N PRO A 25 4.018 45.136 -13.666 1.00 0.00 N ATOM 358 CA PRO A 25 4.770 45.251 -12.409 1.00 0.00 C ATOM 359 C PRO A 25 3.843 45.448 -11.204 1.00 0.00 C ATOM 360 O PRO A 25 4.135 45.016 -10.107 1.00 0.00 O ATOM 361 CB PRO A 25 5.627 46.497 -12.617 1.00 0.00 C ATOM 362 CG PRO A 25 4.884 47.305 -13.627 1.00 0.00 C ATOM 363 CD PRO A 25 4.185 46.323 -14.524 1.00 0.00 C ATOM 0 HA PRO A 25 5.347 44.351 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.756 47.049 -11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.624 46.237 -12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.167 47.968 -13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.566 47.936 -14.198 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.225 46.707 -14.870 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.777 46.098 -15.411 1.00 0.00 H new ATOM 371 N LYS A 26 2.725 46.090 -11.405 1.00 0.00 N ATOM 372 CA LYS A 26 1.773 46.309 -10.278 1.00 0.00 C ATOM 373 C LYS A 26 0.453 45.607 -10.600 1.00 0.00 C ATOM 374 O LYS A 26 -0.515 45.713 -9.874 1.00 0.00 O ATOM 375 CB LYS A 26 1.527 47.807 -10.096 1.00 0.00 C ATOM 376 CG LYS A 26 2.860 48.517 -9.846 1.00 0.00 C ATOM 377 CD LYS A 26 2.608 50.011 -9.627 1.00 0.00 C ATOM 378 CE LYS A 26 3.947 50.744 -9.524 1.00 0.00 C ATOM 379 NZ LYS A 26 4.566 50.840 -10.875 1.00 0.00 N ATOM 0 H LYS A 26 2.429 46.473 -12.303 1.00 0.00 H new ATOM 0 HA LYS A 26 2.192 45.903 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.045 48.218 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.850 47.976 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.355 48.089 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.527 48.370 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.022 50.417 -10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.027 50.163 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.797 51.741 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.613 50.213 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.309 51.567 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.983 49.922 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.839 51.097 -11.573 1.00 0.00 H new ATOM 393 N LYS A 27 0.416 44.885 -11.685 1.00 0.00 N ATOM 394 CA LYS A 27 -0.827 44.162 -12.070 1.00 0.00 C ATOM 395 C LYS A 27 -0.439 42.811 -12.668 1.00 0.00 C ATOM 396 O LYS A 27 0.453 42.723 -13.489 1.00 0.00 O ATOM 397 CB LYS A 27 -1.595 44.981 -13.110 1.00 0.00 C ATOM 398 CG LYS A 27 -2.077 46.287 -12.475 1.00 0.00 C ATOM 399 CD LYS A 27 -2.969 47.038 -13.466 1.00 0.00 C ATOM 400 CE LYS A 27 -3.177 48.472 -12.977 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.245 49.392 -14.149 1.00 0.00 N ATOM 0 H LYS A 27 1.200 44.764 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.460 44.015 -11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.954 45.195 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.445 44.410 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.630 46.076 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.223 46.905 -12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.510 47.042 -14.455 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.930 46.532 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.096 48.539 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.360 48.765 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.386 50.367 -13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.357 49.335 -14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.039 49.116 -14.761 1.00 0.00 H new ATOM 415 N LEU A 28 -1.087 41.754 -12.265 1.00 0.00 N ATOM 416 CA LEU A 28 -0.727 40.421 -12.819 1.00 0.00 C ATOM 417 C LEU A 28 -1.971 39.723 -13.366 1.00 0.00 C ATOM 418 O LEU A 28 -3.005 39.671 -12.729 1.00 0.00 O ATOM 419 CB LEU A 28 -0.102 39.561 -11.719 1.00 0.00 C ATOM 420 CG LEU A 28 1.215 38.965 -12.224 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.157 38.737 -11.040 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.937 37.630 -12.919 1.00 0.00 C ATOM 0 H LEU A 28 -1.844 41.755 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.011 40.557 -13.630 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.077 40.164 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.788 38.764 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 28 1.679 39.653 -12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.095 38.313 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.354 39.687 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.693 38.048 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.874 37.205 -13.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.474 36.941 -12.212 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.265 37.792 -13.762 1.00 0.00 H new ATOM 434 N VAL A 29 -1.865 39.172 -14.542 1.00 0.00 N ATOM 435 CA VAL A 29 -3.015 38.453 -15.151 1.00 0.00 C ATOM 436 C VAL A 29 -2.577 37.021 -15.451 1.00 0.00 C ATOM 437 O VAL A 29 -1.592 36.797 -16.126 1.00 0.00 O ATOM 438 CB VAL A 29 -3.426 39.148 -16.451 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.732 38.539 -16.964 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.626 40.642 -16.190 1.00 0.00 C ATOM 0 H VAL A 29 -1.020 39.190 -15.113 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.865 38.453 -14.468 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.644 39.012 -17.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.025 39.034 -17.890 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.588 37.475 -17.151 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.514 38.674 -16.217 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.919 41.137 -17.116 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.407 40.779 -15.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.695 41.076 -15.825 1.00 0.00 H new ATOM 450 N LEU A 30 -3.284 36.048 -14.950 1.00 0.00 N ATOM 451 CA LEU A 30 -2.877 34.640 -15.211 1.00 0.00 C ATOM 452 C LEU A 30 -4.113 33.767 -15.414 1.00 0.00 C ATOM 453 O LEU A 30 -5.114 33.922 -14.742 1.00 0.00 O ATOM 454 CB LEU A 30 -2.089 34.100 -14.014 1.00 0.00 C ATOM 455 CG LEU A 30 -0.912 35.025 -13.699 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.939 35.393 -12.215 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.399 34.305 -14.021 1.00 0.00 C ATOM 0 H LEU A 30 -4.119 36.164 -14.376 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.258 34.617 -16.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.742 34.021 -13.145 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.725 33.096 -14.232 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.988 35.931 -14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.101 36.052 -11.988 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.874 35.902 -11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.861 34.487 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.239 34.962 -13.797 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.475 33.400 -13.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.418 34.039 -15.078 1.00 0.00 H new ATOM 469 N ASP A 31 -4.040 32.830 -16.316 1.00 0.00 N ATOM 470 CA ASP A 31 -5.195 31.923 -16.537 1.00 0.00 C ATOM 471 C ASP A 31 -5.074 30.772 -15.541 1.00 0.00 C ATOM 472 O ASP A 31 -4.002 30.242 -15.327 1.00 0.00 O ATOM 473 CB ASP A 31 -5.163 31.380 -17.967 1.00 0.00 C ATOM 474 CG ASP A 31 -6.398 30.510 -18.210 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.213 30.408 -17.308 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.507 29.958 -19.293 1.00 0.00 O ATOM 0 H ASP A 31 -3.229 32.654 -16.909 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.135 32.456 -16.394 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.140 32.204 -18.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.257 30.796 -18.125 1.00 0.00 H new ATOM 481 N ILE A 32 -6.148 30.382 -14.917 1.00 0.00 N ATOM 482 CA ILE A 32 -6.047 29.272 -13.932 1.00 0.00 C ATOM 483 C ILE A 32 -6.962 28.121 -14.335 1.00 0.00 C ATOM 484 O ILE A 32 -8.130 28.304 -14.612 1.00 0.00 O ATOM 485 CB ILE A 32 -6.448 29.773 -12.545 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.397 30.757 -12.028 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.553 28.581 -11.592 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.892 31.392 -10.727 1.00 0.00 C ATOM 0 H ILE A 32 -7.080 30.777 -15.043 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.016 28.918 -13.911 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.411 30.280 -12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.452 30.241 -11.857 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.208 31.529 -12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.839 28.932 -10.600 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.306 27.885 -11.962 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.589 28.076 -11.534 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.144 32.094 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.826 31.922 -10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.059 30.613 -9.983 1.00 0.00 H new ATOM 500 N LYS A 33 -6.438 26.927 -14.344 1.00 0.00 N ATOM 501 CA LYS A 33 -7.273 25.750 -14.699 1.00 0.00 C ATOM 502 C LYS A 33 -7.487 24.915 -13.437 1.00 0.00 C ATOM 503 O LYS A 33 -6.553 24.420 -12.837 1.00 0.00 O ATOM 504 CB LYS A 33 -6.572 24.915 -15.773 1.00 0.00 C ATOM 505 CG LYS A 33 -7.535 23.858 -16.313 1.00 0.00 C ATOM 506 CD LYS A 33 -6.757 22.847 -17.158 1.00 0.00 C ATOM 507 CE LYS A 33 -7.734 22.020 -17.997 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.995 21.352 -19.105 1.00 0.00 N ATOM 0 H LYS A 33 -5.465 26.717 -14.120 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.234 26.078 -15.095 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.232 25.559 -16.584 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.687 24.435 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.036 23.351 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.311 24.331 -16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.053 23.366 -17.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.172 22.192 -16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.226 21.274 -17.372 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.516 22.662 -18.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.658 20.790 -19.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.545 22.072 -19.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.264 20.727 -18.708 1.00 0.00 H new ATOM 522 N TYR A 34 -8.715 24.767 -13.028 1.00 0.00 N ATOM 523 CA TYR A 34 -9.009 23.980 -11.801 1.00 0.00 C ATOM 524 C TYR A 34 -9.964 22.837 -12.149 1.00 0.00 C ATOM 525 O TYR A 34 -11.116 23.052 -12.471 1.00 0.00 O ATOM 526 CB TYR A 34 -9.653 24.900 -10.765 1.00 0.00 C ATOM 527 CG TYR A 34 -9.856 24.147 -9.473 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.757 23.855 -8.654 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.140 23.742 -9.091 1.00 0.00 C ATOM 530 CE1 TYR A 34 -8.944 23.158 -7.455 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.327 23.045 -7.892 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.230 22.753 -7.074 1.00 0.00 C ATOM 533 OH TYR A 34 -10.413 22.066 -5.891 1.00 0.00 O ATOM 0 H TYR A 34 -9.532 25.160 -13.495 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.088 23.563 -11.394 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.020 25.771 -10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.609 25.269 -11.136 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.766 24.168 -8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.987 23.968 -9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.097 22.932 -6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.318 22.732 -7.598 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.758 22.373 -5.230 1.00 0.00 H new ATOM 543 N THR A 35 -9.492 21.621 -12.096 1.00 0.00 N ATOM 544 CA THR A 35 -10.369 20.464 -12.433 1.00 0.00 C ATOM 545 C THR A 35 -10.576 19.592 -11.193 1.00 0.00 C ATOM 546 O THR A 35 -9.637 19.071 -10.624 1.00 0.00 O ATOM 547 CB THR A 35 -9.708 19.634 -13.536 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.654 20.397 -14.733 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.522 18.361 -13.778 1.00 0.00 C ATOM 0 H THR A 35 -8.536 21.379 -11.834 1.00 0.00 H new ATOM 0 HA THR A 35 -11.336 20.831 -12.778 1.00 0.00 H new ATOM 0 HB THR A 35 -8.697 19.364 -13.230 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.229 19.867 -15.440 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.050 17.771 -14.564 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.563 17.775 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.534 18.629 -14.083 1.00 0.00 H new ATOM 557 N ARG A 36 -11.800 19.425 -10.771 1.00 0.00 N ATOM 558 CA ARG A 36 -12.069 18.585 -9.570 1.00 0.00 C ATOM 559 C ARG A 36 -13.045 17.465 -9.935 1.00 0.00 C ATOM 560 O ARG A 36 -13.711 17.515 -10.950 1.00 0.00 O ATOM 561 CB ARG A 36 -12.681 19.452 -8.467 1.00 0.00 C ATOM 562 CG ARG A 36 -11.592 19.853 -7.471 1.00 0.00 C ATOM 563 CD ARG A 36 -12.232 20.185 -6.121 1.00 0.00 C ATOM 564 NE ARG A 36 -11.252 19.921 -5.031 1.00 0.00 N ATOM 565 CZ ARG A 36 -11.461 18.947 -4.187 1.00 0.00 C ATOM 566 NH1 ARG A 36 -12.168 17.911 -4.549 1.00 0.00 N ATOM 567 NH2 ARG A 36 -10.963 19.009 -2.983 1.00 0.00 N ATOM 0 H ARG A 36 -12.626 19.835 -11.207 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.134 18.151 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.138 20.342 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.472 18.904 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.874 19.041 -7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.041 20.715 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.543 21.230 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.128 19.583 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.418 20.501 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.557 17.863 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.332 17.150 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.410 19.818 -2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.126 18.248 -2.324 1.00 0.00 H new ATOM 581 N PRO A 37 -13.127 16.431 -9.084 1.00 0.00 N ATOM 582 CA PRO A 37 -14.018 15.287 -9.309 1.00 0.00 C ATOM 583 C PRO A 37 -15.487 15.655 -9.082 1.00 0.00 C ATOM 584 O PRO A 37 -16.201 14.983 -8.364 1.00 0.00 O ATOM 585 CB PRO A 37 -13.571 14.273 -8.257 1.00 0.00 C ATOM 586 CG PRO A 37 -12.956 15.093 -7.174 1.00 0.00 C ATOM 587 CD PRO A 37 -12.352 16.299 -7.838 1.00 0.00 C ATOM 0 HA PRO A 37 -13.956 14.918 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.415 13.693 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.855 13.563 -8.671 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.705 15.390 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.195 14.523 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.442 17.188 -7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.290 16.157 -8.039 1.00 0.00 H new ATOM 595 N GLY A 38 -15.946 16.716 -9.689 1.00 0.00 N ATOM 596 CA GLY A 38 -17.370 17.120 -9.505 1.00 0.00 C ATOM 597 C GLY A 38 -17.431 18.503 -8.852 1.00 0.00 C ATOM 598 O GLY A 38 -18.467 19.136 -8.816 1.00 0.00 O ATOM 0 H GLY A 38 -15.398 17.319 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.881 17.138 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.888 16.390 -8.883 1.00 0.00 H new ATOM 602 N ASP A 39 -16.330 18.978 -8.337 1.00 0.00 N ATOM 603 CA ASP A 39 -16.331 20.320 -7.689 1.00 0.00 C ATOM 604 C ASP A 39 -15.838 21.366 -8.691 1.00 0.00 C ATOM 605 O ASP A 39 -15.496 21.051 -9.813 1.00 0.00 O ATOM 606 CB ASP A 39 -15.402 20.299 -6.474 1.00 0.00 C ATOM 607 CG ASP A 39 -16.137 20.878 -5.263 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.706 21.949 -5.396 1.00 0.00 O ATOM 609 OD2 ASP A 39 -16.118 20.241 -4.222 1.00 0.00 O ATOM 0 H ASP A 39 -15.431 18.496 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.342 20.571 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.081 19.278 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.503 20.880 -6.680 1.00 0.00 H new ATOM 614 N SER A 40 -15.798 22.609 -8.296 1.00 0.00 N ATOM 615 CA SER A 40 -15.326 23.665 -9.229 1.00 0.00 C ATOM 616 C SER A 40 -14.691 24.809 -8.435 1.00 0.00 C ATOM 617 O SER A 40 -14.935 24.975 -7.256 1.00 0.00 O ATOM 618 CB SER A 40 -16.515 24.192 -10.027 1.00 0.00 C ATOM 619 OG SER A 40 -17.194 25.179 -9.266 1.00 0.00 O ATOM 0 H SER A 40 -16.071 22.936 -7.369 1.00 0.00 H new ATOM 0 HA SER A 40 -14.583 23.248 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.174 24.616 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.194 23.375 -10.271 1.00 0.00 H new ATOM 0 HG SER A 40 -17.811 24.743 -8.642 1.00 0.00 H new ATOM 625 N LEU A 41 -13.873 25.597 -9.077 1.00 0.00 N ATOM 626 CA LEU A 41 -13.210 26.730 -8.371 1.00 0.00 C ATOM 627 C LEU A 41 -14.237 27.824 -8.076 1.00 0.00 C ATOM 628 O LEU A 41 -15.026 28.192 -8.923 1.00 0.00 O ATOM 629 CB LEU A 41 -12.109 27.296 -9.267 1.00 0.00 C ATOM 630 CG LEU A 41 -11.085 28.052 -8.422 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.021 28.652 -9.343 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.781 29.175 -7.651 1.00 0.00 C ATOM 0 H LEU A 41 -13.634 25.505 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.782 26.378 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.619 26.488 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.542 27.964 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.618 27.366 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.287 29.193 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.524 27.853 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.493 29.338 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.048 29.712 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.248 29.864 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.544 28.750 -6.999 1.00 0.00 H new ATOM 644 N ALA A 42 -14.237 28.347 -6.879 1.00 0.00 N ATOM 645 CA ALA A 42 -15.215 29.416 -6.538 1.00 0.00 C ATOM 646 C ALA A 42 -14.475 30.728 -6.258 1.00 0.00 C ATOM 647 O ALA A 42 -14.896 31.786 -6.681 1.00 0.00 O ATOM 648 CB ALA A 42 -16.006 29.002 -5.295 1.00 0.00 C ATOM 0 H ALA A 42 -13.603 28.080 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.897 29.561 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.723 29.783 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.538 28.072 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.321 28.855 -4.460 1.00 0.00 H new ATOM 654 N GLU A 43 -13.380 30.674 -5.545 1.00 0.00 N ATOM 655 CA GLU A 43 -12.632 31.932 -5.242 1.00 0.00 C ATOM 656 C GLU A 43 -11.122 31.670 -5.243 1.00 0.00 C ATOM 657 O GLU A 43 -10.668 30.577 -4.969 1.00 0.00 O ATOM 658 CB GLU A 43 -13.050 32.454 -3.866 1.00 0.00 C ATOM 659 CG GLU A 43 -14.533 32.826 -3.887 1.00 0.00 C ATOM 660 CD GLU A 43 -15.358 31.662 -3.335 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.821 30.907 -2.540 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.510 31.545 -3.715 1.00 0.00 O ATOM 0 H GLU A 43 -12.973 29.821 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.865 32.671 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.866 31.694 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.450 33.324 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.703 33.722 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.847 33.058 -4.905 1.00 0.00 H new ATOM 669 N VAL A 44 -10.342 32.677 -5.547 1.00 0.00 N ATOM 670 CA VAL A 44 -8.860 32.511 -5.568 1.00 0.00 C ATOM 671 C VAL A 44 -8.201 33.761 -4.977 1.00 0.00 C ATOM 672 O VAL A 44 -8.602 34.870 -5.265 1.00 0.00 O ATOM 673 CB VAL A 44 -8.387 32.345 -7.015 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.969 31.770 -7.026 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.327 31.396 -7.756 1.00 0.00 C ATOM 0 H VAL A 44 -10.673 33.613 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.587 31.632 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.390 33.316 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.632 31.652 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.297 32.448 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.966 30.800 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.989 31.279 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.327 30.425 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.337 31.806 -7.750 1.00 0.00 H new ATOM 685 N GLU A 45 -7.187 33.606 -4.166 1.00 0.00 N ATOM 686 CA GLU A 45 -6.522 34.812 -3.594 1.00 0.00 C ATOM 687 C GLU A 45 -5.017 34.738 -3.865 1.00 0.00 C ATOM 688 O GLU A 45 -4.450 33.671 -3.995 1.00 0.00 O ATOM 689 CB GLU A 45 -6.785 34.895 -2.089 1.00 0.00 C ATOM 690 CG GLU A 45 -8.272 34.650 -1.818 1.00 0.00 C ATOM 691 CD GLU A 45 -9.022 35.983 -1.855 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.611 36.892 -1.154 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.997 36.071 -2.584 1.00 0.00 O ATOM 0 H GLU A 45 -6.795 32.709 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.929 35.707 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.181 34.156 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.492 35.874 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.681 33.969 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.402 34.174 -0.846 1.00 0.00 H new ATOM 700 N LEU A 46 -4.373 35.868 -3.984 1.00 0.00 N ATOM 701 CA LEU A 46 -2.911 35.872 -4.284 1.00 0.00 C ATOM 702 C LEU A 46 -2.142 36.641 -3.204 1.00 0.00 C ATOM 703 O LEU A 46 -2.402 37.800 -2.949 1.00 0.00 O ATOM 704 CB LEU A 46 -2.705 36.553 -5.640 1.00 0.00 C ATOM 705 CG LEU A 46 -1.232 36.921 -5.835 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.345 35.740 -5.447 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.993 37.262 -7.304 1.00 0.00 C ATOM 0 H LEU A 46 -4.797 36.791 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.538 34.848 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.029 35.888 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.321 37.450 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.988 37.777 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.702 36.009 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.516 35.485 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.587 34.882 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.055 37.525 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.240 36.399 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.622 38.105 -7.589 1.00 0.00 H new ATOM 719 N ARG A 47 -1.179 36.010 -2.583 1.00 0.00 N ATOM 720 CA ARG A 47 -0.374 36.709 -1.539 1.00 0.00 C ATOM 721 C ARG A 47 1.011 37.022 -2.105 1.00 0.00 C ATOM 722 O ARG A 47 1.680 36.162 -2.643 1.00 0.00 O ATOM 723 CB ARG A 47 -0.220 35.808 -0.311 1.00 0.00 C ATOM 724 CG ARG A 47 0.348 36.625 0.853 1.00 0.00 C ATOM 725 CD ARG A 47 1.052 35.702 1.858 1.00 0.00 C ATOM 726 NE ARG A 47 0.562 34.301 1.709 1.00 0.00 N ATOM 727 CZ ARG A 47 0.819 33.419 2.637 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.768 33.764 3.896 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.127 32.196 2.307 1.00 0.00 N ATOM 0 H ARG A 47 -0.916 35.040 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.879 37.630 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.185 35.384 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.442 34.973 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.051 37.367 0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.455 37.170 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.130 35.736 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.868 36.052 2.874 1.00 0.00 H new ATOM 0 HE ARG A 47 0.027 34.032 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.528 34.721 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.969 33.076 4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.167 31.928 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.328 31.507 3.032 1.00 0.00 H new ATOM 743 N GLN A 48 1.447 38.244 -1.988 1.00 0.00 N ATOM 744 CA GLN A 48 2.791 38.608 -2.519 1.00 0.00 C ATOM 745 C GLN A 48 3.870 37.987 -1.632 1.00 0.00 C ATOM 746 O GLN A 48 3.671 37.779 -0.450 1.00 0.00 O ATOM 747 CB GLN A 48 2.944 40.129 -2.521 1.00 0.00 C ATOM 748 CG GLN A 48 1.810 40.752 -3.338 1.00 0.00 C ATOM 749 CD GLN A 48 2.272 42.092 -3.913 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.627 42.612 -4.920 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.230 42.671 -3.441 1.00 0.00 N flip ATOM 0 H GLN A 48 0.932 39.007 -1.548 1.00 0.00 H new ATOM 0 HA GLN A 48 2.895 38.233 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.923 40.509 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.909 40.408 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.517 40.080 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.932 40.897 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.734 42.264 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.530 43.564 -3.832 1.00 0.00 H new ATOM 760 N HIS A 49 5.012 37.690 -2.187 1.00 0.00 N ATOM 761 CA HIS A 49 6.098 37.085 -1.370 1.00 0.00 C ATOM 762 C HIS A 49 6.602 38.111 -0.353 1.00 0.00 C ATOM 763 O HIS A 49 7.233 39.087 -0.704 1.00 0.00 O ATOM 764 CB HIS A 49 7.253 36.666 -2.281 1.00 0.00 C ATOM 765 CG HIS A 49 8.090 35.630 -1.582 1.00 0.00 C ATOM 766 ND1 HIS A 49 7.651 34.328 -1.394 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.340 35.689 -1.015 1.00 0.00 C ATOM 768 CE1 HIS A 49 8.620 33.664 -0.739 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.672 34.446 -0.484 1.00 0.00 N ATOM 0 H HIS A 49 5.239 37.840 -3.170 1.00 0.00 H new ATOM 0 HA HIS A 49 5.712 36.210 -0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.865 36.265 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.864 37.533 -2.534 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.756 33.944 -1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.969 36.566 -0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.555 32.624 -0.454 1.00 0.00 H new ATOM 777 N GLY A 50 6.330 37.896 0.904 1.00 0.00 N ATOM 778 CA GLY A 50 6.796 38.859 1.940 1.00 0.00 C ATOM 779 C GLY A 50 5.609 39.677 2.452 1.00 0.00 C ATOM 780 O GLY A 50 5.757 40.542 3.294 1.00 0.00 O ATOM 0 H GLY A 50 5.806 37.096 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.264 38.322 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.553 39.521 1.521 1.00 0.00 H new ATOM 784 N SER A 51 4.431 39.415 1.955 1.00 0.00 N ATOM 785 CA SER A 51 3.242 40.182 2.421 1.00 0.00 C ATOM 786 C SER A 51 2.307 39.250 3.193 1.00 0.00 C ATOM 787 O SER A 51 2.281 38.056 2.969 1.00 0.00 O ATOM 788 CB SER A 51 2.503 40.763 1.214 1.00 0.00 C ATOM 789 OG SER A 51 1.446 41.597 1.664 1.00 0.00 O ATOM 0 H SER A 51 4.241 38.705 1.248 1.00 0.00 H new ATOM 0 HA SER A 51 3.565 40.994 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.192 41.335 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.107 39.958 0.594 1.00 0.00 H new ATOM 0 HG SER A 51 0.973 41.971 0.892 1.00 0.00 H new ATOM 795 N GLU A 52 1.538 39.785 4.100 1.00 0.00 N ATOM 796 CA GLU A 52 0.605 38.929 4.883 1.00 0.00 C ATOM 797 C GLU A 52 -0.836 39.339 4.577 1.00 0.00 C ATOM 798 O GLU A 52 -1.759 38.970 5.274 1.00 0.00 O ATOM 799 CB GLU A 52 0.881 39.108 6.377 1.00 0.00 C ATOM 800 CG GLU A 52 0.222 37.969 7.158 1.00 0.00 C ATOM 801 CD GLU A 52 0.328 38.248 8.658 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.055 39.160 9.020 1.00 0.00 O ATOM 803 OE2 GLU A 52 -0.316 37.547 9.418 1.00 0.00 O ATOM 0 H GLU A 52 1.516 40.778 4.333 1.00 0.00 H new ATOM 0 HA GLU A 52 0.752 37.884 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.955 39.115 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.493 40.068 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.825 37.874 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.706 37.022 6.919 1.00 0.00 H new ATOM 810 N GLU A 53 -1.035 40.103 3.537 1.00 0.00 N ATOM 811 CA GLU A 53 -2.415 40.537 3.186 1.00 0.00 C ATOM 812 C GLU A 53 -2.835 39.884 1.868 1.00 0.00 C ATOM 813 O GLU A 53 -2.675 40.449 0.804 1.00 0.00 O ATOM 814 CB GLU A 53 -2.451 42.059 3.038 1.00 0.00 C ATOM 815 CG GLU A 53 -3.880 42.508 2.727 1.00 0.00 C ATOM 816 CD GLU A 53 -3.880 43.996 2.369 1.00 0.00 C ATOM 817 OE1 GLU A 53 -2.804 44.549 2.218 1.00 0.00 O ATOM 818 OE2 GLU A 53 -4.957 44.556 2.250 1.00 0.00 O ATOM 0 H GLU A 53 -0.301 40.445 2.916 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.103 40.235 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.101 42.533 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.778 42.373 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.284 41.924 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.524 42.330 3.588 1.00 0.00 H new ATOM 825 N TRP A 54 -3.375 38.700 1.934 1.00 0.00 N ATOM 826 CA TRP A 54 -3.810 38.003 0.692 1.00 0.00 C ATOM 827 C TRP A 54 -4.749 38.905 -0.107 1.00 0.00 C ATOM 828 O TRP A 54 -5.611 39.566 0.438 1.00 0.00 O ATOM 829 CB TRP A 54 -4.544 36.715 1.065 1.00 0.00 C ATOM 830 CG TRP A 54 -3.551 35.637 1.351 1.00 0.00 C ATOM 831 CD1 TRP A 54 -2.782 35.563 2.461 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.208 34.483 0.535 1.00 0.00 C ATOM 833 NE1 TRP A 54 -1.989 34.431 2.378 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.217 33.733 1.208 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.658 34.017 -0.712 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.689 32.562 0.663 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -3.130 32.841 -1.265 1.00 0.00 C ATOM 838 CH2 TRP A 54 -2.147 32.114 -0.579 1.00 0.00 C ATOM 0 H TRP A 54 -3.535 38.183 2.798 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.935 37.768 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.174 36.884 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.202 36.411 0.251 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.786 36.270 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.319 34.147 3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.416 34.568 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.932 32.006 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.483 32.494 -2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.744 31.209 -1.010 1.00 0.00 H new ATOM 849 N GLU A 55 -4.590 38.928 -1.403 1.00 0.00 N ATOM 850 CA GLU A 55 -5.473 39.774 -2.254 1.00 0.00 C ATOM 851 C GLU A 55 -6.308 38.866 -3.158 1.00 0.00 C ATOM 852 O GLU A 55 -5.794 37.967 -3.792 1.00 0.00 O ATOM 853 CB GLU A 55 -4.615 40.704 -3.115 1.00 0.00 C ATOM 854 CG GLU A 55 -4.415 42.035 -2.386 1.00 0.00 C ATOM 855 CD GLU A 55 -4.488 43.185 -3.392 1.00 0.00 C ATOM 856 OE1 GLU A 55 -5.145 43.016 -4.407 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.888 44.214 -3.131 1.00 0.00 O ATOM 0 H GLU A 55 -3.884 38.395 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.130 40.373 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.650 40.240 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.097 40.873 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.179 42.160 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.450 42.042 -1.879 1.00 0.00 H new ATOM 864 N PRO A 56 -7.626 39.106 -3.211 1.00 0.00 N ATOM 865 CA PRO A 56 -8.543 38.304 -4.031 1.00 0.00 C ATOM 866 C PRO A 56 -8.335 38.546 -5.529 1.00 0.00 C ATOM 867 O PRO A 56 -7.951 39.620 -5.947 1.00 0.00 O ATOM 868 CB PRO A 56 -9.925 38.799 -3.609 1.00 0.00 C ATOM 869 CG PRO A 56 -9.691 40.183 -3.102 1.00 0.00 C ATOM 870 CD PRO A 56 -8.325 40.174 -2.476 1.00 0.00 C ATOM 0 HA PRO A 56 -8.393 37.235 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.620 38.797 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.356 38.162 -2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.743 40.909 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.451 40.465 -2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.824 41.135 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.373 39.963 -1.408 1.00 0.00 H new ATOM 878 N LEU A 57 -8.597 37.558 -6.340 1.00 0.00 N ATOM 879 CA LEU A 57 -8.428 37.728 -7.811 1.00 0.00 C ATOM 880 C LEU A 57 -9.805 37.967 -8.431 1.00 0.00 C ATOM 881 O LEU A 57 -10.801 37.464 -7.949 1.00 0.00 O ATOM 882 CB LEU A 57 -7.824 36.451 -8.411 1.00 0.00 C ATOM 883 CG LEU A 57 -6.339 36.331 -8.049 1.00 0.00 C ATOM 884 CD1 LEU A 57 -5.490 36.830 -9.221 1.00 0.00 C ATOM 885 CD2 LEU A 57 -6.032 37.158 -6.800 1.00 0.00 C ATOM 0 H LEU A 57 -8.922 36.637 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.766 38.570 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.365 35.579 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.939 36.463 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.103 35.287 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.433 36.746 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.700 36.227 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.732 37.873 -9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.974 37.065 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.270 38.205 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.633 36.795 -5.966 1.00 0.00 H new ATOM 897 N THR A 58 -9.886 38.723 -9.492 1.00 0.00 N ATOM 898 CA THR A 58 -11.220 38.962 -10.109 1.00 0.00 C ATOM 899 C THR A 58 -11.401 38.009 -11.292 1.00 0.00 C ATOM 900 O THR A 58 -10.570 37.943 -12.178 1.00 0.00 O ATOM 901 CB THR A 58 -11.319 40.412 -10.588 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.074 41.288 -9.497 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.718 40.673 -11.150 1.00 0.00 C ATOM 0 H THR A 58 -9.098 39.179 -9.952 1.00 0.00 H new ATOM 0 HA THR A 58 -12.002 38.782 -9.372 1.00 0.00 H new ATOM 0 HB THR A 58 -10.579 40.587 -11.368 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.135 42.217 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.786 41.706 -11.491 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.905 40.002 -11.988 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.461 40.497 -10.372 1.00 0.00 H new ATOM 911 N LYS A 59 -12.474 37.266 -11.313 1.00 0.00 N ATOM 912 CA LYS A 59 -12.693 36.318 -12.440 1.00 0.00 C ATOM 913 C LYS A 59 -13.032 37.109 -13.704 1.00 0.00 C ATOM 914 O LYS A 59 -14.110 37.657 -13.827 1.00 0.00 O ATOM 915 CB LYS A 59 -13.853 35.380 -12.099 1.00 0.00 C ATOM 916 CG LYS A 59 -13.752 34.112 -12.947 1.00 0.00 C ATOM 917 CD LYS A 59 -14.817 33.110 -12.497 1.00 0.00 C ATOM 918 CE LYS A 59 -14.735 31.851 -13.364 1.00 0.00 C ATOM 919 NZ LYS A 59 -15.674 31.978 -14.514 1.00 0.00 N ATOM 0 H LYS A 59 -13.205 37.275 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.790 35.731 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.828 35.124 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.804 35.879 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.888 34.355 -14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.759 33.673 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.668 32.852 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.808 33.556 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.716 31.712 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.986 30.971 -12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.619 31.123 -15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.645 32.091 -14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.415 32.809 -15.084 1.00 0.00 H new ATOM 933 N LYS A 60 -12.130 37.184 -14.643 1.00 0.00 N ATOM 934 CA LYS A 60 -12.427 37.951 -15.885 1.00 0.00 C ATOM 935 C LYS A 60 -12.541 36.988 -17.067 1.00 0.00 C ATOM 936 O LYS A 60 -11.557 36.457 -17.544 1.00 0.00 O ATOM 937 CB LYS A 60 -11.303 38.956 -16.144 1.00 0.00 C ATOM 938 CG LYS A 60 -11.509 40.190 -15.264 1.00 0.00 C ATOM 939 CD LYS A 60 -12.889 40.789 -15.542 1.00 0.00 C ATOM 940 CE LYS A 60 -12.941 42.220 -15.004 1.00 0.00 C ATOM 941 NZ LYS A 60 -12.924 43.181 -16.143 1.00 0.00 N ATOM 0 H LYS A 60 -11.207 36.751 -14.605 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.369 38.486 -15.766 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.337 38.500 -15.929 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.293 39.244 -17.195 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.424 39.918 -14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.733 40.928 -15.466 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.090 40.784 -16.613 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.662 40.183 -15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.842 42.363 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.091 42.404 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.959 44.154 -15.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.052 43.050 -16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.749 43.011 -16.753 1.00 0.00 H new ATOM 955 N GLY A 61 -13.733 36.757 -17.545 1.00 0.00 N ATOM 956 CA GLY A 61 -13.908 35.826 -18.695 1.00 0.00 C ATOM 957 C GLY A 61 -13.513 34.411 -18.267 1.00 0.00 C ATOM 958 O GLY A 61 -14.303 33.679 -17.705 1.00 0.00 O ATOM 0 H GLY A 61 -14.593 37.173 -17.189 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.944 35.840 -19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.293 36.149 -19.535 1.00 0.00 H new ATOM 962 N ASN A 62 -12.296 34.020 -18.529 1.00 0.00 N ATOM 963 CA ASN A 62 -11.852 32.652 -18.136 1.00 0.00 C ATOM 964 C ASN A 62 -10.476 32.734 -17.472 1.00 0.00 C ATOM 965 O ASN A 62 -9.778 31.749 -17.344 1.00 0.00 O ATOM 966 CB ASN A 62 -11.767 31.764 -19.379 1.00 0.00 C ATOM 967 CG ASN A 62 -11.017 32.506 -20.487 1.00 0.00 C ATOM 968 OD1 ASN A 62 -10.515 33.592 -20.275 1.00 0.00 O ATOM 969 ND2 ASN A 62 -10.918 31.962 -21.669 1.00 0.00 N ATOM 0 H ASN A 62 -11.590 34.588 -18.998 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.569 32.225 -17.435 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.254 30.833 -19.139 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.768 31.498 -19.718 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.419 32.448 -22.414 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.339 31.050 -21.848 1.00 0.00 H new ATOM 976 N VAL A 63 -10.082 33.903 -17.045 1.00 0.00 N ATOM 977 CA VAL A 63 -8.752 34.048 -16.388 1.00 0.00 C ATOM 978 C VAL A 63 -8.916 34.824 -15.080 1.00 0.00 C ATOM 979 O VAL A 63 -9.961 35.379 -14.804 1.00 0.00 O ATOM 980 CB VAL A 63 -7.803 34.805 -17.318 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.473 33.931 -18.530 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.473 36.098 -17.790 1.00 0.00 C ATOM 0 H VAL A 63 -10.624 34.764 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.339 33.062 -16.177 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.885 35.046 -16.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.797 34.470 -19.194 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.996 33.010 -18.195 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.391 33.690 -19.066 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.796 36.637 -18.453 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.391 35.857 -18.326 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.709 36.721 -16.927 1.00 0.00 H new ATOM 992 N TRP A 64 -7.892 34.871 -14.272 1.00 0.00 N ATOM 993 CA TRP A 64 -7.996 35.614 -12.985 1.00 0.00 C ATOM 994 C TRP A 64 -7.013 36.785 -12.990 1.00 0.00 C ATOM 995 O TRP A 64 -5.851 36.632 -13.308 1.00 0.00 O ATOM 996 CB TRP A 64 -7.664 34.679 -11.823 1.00 0.00 C ATOM 997 CG TRP A 64 -8.798 33.729 -11.610 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.007 32.596 -12.318 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.879 33.811 -10.638 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.148 31.976 -11.841 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.721 32.686 -10.805 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.206 34.741 -9.638 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.850 32.494 -10.005 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.337 34.553 -8.832 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.159 33.431 -9.014 1.00 0.00 C ATOM 0 H TRP A 64 -6.990 34.428 -14.447 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.012 35.991 -12.868 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.748 34.127 -12.036 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.484 35.257 -10.917 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.385 32.234 -13.124 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.520 31.101 -12.210 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.581 35.609 -9.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.479 31.629 -10.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.577 35.276 -8.066 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.029 33.291 -8.390 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.471 37.955 -12.641 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.563 39.135 -12.627 1.00 0.00 C ATOM 1018 C GLU A 65 -6.461 39.687 -11.204 1.00 0.00 C ATOM 1019 O GLU A 65 -7.417 39.684 -10.454 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.116 40.217 -13.557 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.242 39.653 -14.975 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.670 40.769 -15.931 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.054 41.821 -15.448 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.605 40.552 -17.129 1.00 0.00 O ATOM 0 H GLU A 65 -8.434 38.145 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.573 38.834 -12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.089 40.556 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.456 41.085 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.290 39.230 -15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.972 38.844 -14.993 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.310 40.173 -10.835 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.137 40.741 -9.469 1.00 0.00 C ATOM 1033 C VAL A 66 -4.246 41.978 -9.560 1.00 0.00 C ATOM 1034 O VAL A 66 -3.266 41.995 -10.279 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.486 39.703 -8.552 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.289 39.068 -9.262 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.014 40.385 -7.266 1.00 0.00 C ATOM 0 H VAL A 66 -4.477 40.202 -11.423 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.109 41.013 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.213 38.928 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.827 38.329 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.625 38.581 -10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.560 39.840 -9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.550 39.647 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.288 41.160 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.867 40.834 -6.758 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.577 43.015 -8.846 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.742 44.249 -8.910 1.00 0.00 C ATOM 1049 C LYS A 67 -3.239 44.613 -7.513 1.00 0.00 C ATOM 1050 O LYS A 67 -3.982 44.635 -6.553 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.577 45.401 -9.473 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.093 45.022 -10.863 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.950 46.161 -11.418 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.556 45.739 -12.757 1.00 0.00 C ATOM 1055 NZ LYS A 67 -7.644 46.685 -13.131 1.00 0.00 N ATOM 0 H LYS A 67 -5.384 43.064 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.885 44.069 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.414 45.617 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.974 46.307 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.255 44.824 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.680 44.105 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.741 46.412 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.343 47.057 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.787 45.729 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.950 44.725 -12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.056 46.398 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.382 46.673 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.255 47.646 -13.215 1.00 0.00 H new ATOM 1069 N SER A 68 -1.970 44.896 -7.399 1.00 0.00 N ATOM 1070 CA SER A 68 -1.387 45.259 -6.079 1.00 0.00 C ATOM 1071 C SER A 68 -0.813 46.675 -6.147 1.00 0.00 C ATOM 1072 O SER A 68 0.115 46.939 -6.886 1.00 0.00 O ATOM 1073 CB SER A 68 -0.263 44.278 -5.742 1.00 0.00 C ATOM 1074 OG SER A 68 0.306 44.623 -4.488 1.00 0.00 O ATOM 0 H SER A 68 -1.306 44.891 -8.174 1.00 0.00 H new ATOM 0 HA SER A 68 -2.161 45.215 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.652 43.260 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.501 44.303 -6.519 1.00 0.00 H new ATOM 0 HG SER A 68 0.782 43.849 -4.121 1.00 0.00 H new ATOM 1080 N SER A 69 -1.349 47.588 -5.384 1.00 0.00 N ATOM 1081 CA SER A 69 -0.820 48.980 -5.413 1.00 0.00 C ATOM 1082 C SER A 69 0.708 48.934 -5.419 1.00 0.00 C ATOM 1083 O SER A 69 1.364 49.717 -6.076 1.00 0.00 O ATOM 1084 CB SER A 69 -1.305 49.739 -4.175 1.00 0.00 C ATOM 1085 OG SER A 69 -2.700 49.983 -4.285 1.00 0.00 O ATOM 0 H SER A 69 -2.128 47.431 -4.744 1.00 0.00 H new ATOM 0 HA SER A 69 -1.176 49.489 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.096 49.160 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.767 50.682 -4.079 1.00 0.00 H new ATOM 0 HG SER A 69 -3.011 50.467 -3.492 1.00 0.00 H new ATOM 1091 N LYS A 70 1.279 48.011 -4.693 1.00 0.00 N ATOM 1092 CA LYS A 70 2.763 47.897 -4.652 1.00 0.00 C ATOM 1093 C LYS A 70 3.216 46.861 -5.684 1.00 0.00 C ATOM 1094 O LYS A 70 2.414 46.129 -6.229 1.00 0.00 O ATOM 1095 CB LYS A 70 3.191 47.449 -3.252 1.00 0.00 C ATOM 1096 CG LYS A 70 2.253 46.347 -2.758 1.00 0.00 C ATOM 1097 CD LYS A 70 2.831 45.715 -1.491 1.00 0.00 C ATOM 1098 CE LYS A 70 2.297 46.457 -0.262 1.00 0.00 C ATOM 1099 NZ LYS A 70 0.813 46.344 -0.221 1.00 0.00 N ATOM 0 H LYS A 70 0.778 47.328 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 70 3.218 48.861 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.218 47.084 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.168 48.295 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.265 46.760 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.127 45.589 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.558 44.661 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.920 45.761 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.730 46.037 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.592 47.506 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.497 46.281 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.389 47.182 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.516 45.490 -0.735 1.00 0.00 H new ATOM 1113 N PRO A 71 4.530 46.797 -5.956 1.00 0.00 N ATOM 1114 CA PRO A 71 5.089 45.844 -6.925 1.00 0.00 C ATOM 1115 C PRO A 71 4.941 44.396 -6.447 1.00 0.00 C ATOM 1116 O PRO A 71 4.989 44.114 -5.266 1.00 0.00 O ATOM 1117 CB PRO A 71 6.567 46.233 -6.997 1.00 0.00 C ATOM 1118 CG PRO A 71 6.837 46.904 -5.694 1.00 0.00 C ATOM 1119 CD PRO A 71 5.573 47.639 -5.346 1.00 0.00 C ATOM 0 HA PRO A 71 4.580 45.888 -7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.202 45.358 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.762 46.901 -7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.091 46.176 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.680 47.591 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.441 47.729 -4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.567 48.650 -5.754 1.00 0.00 H new ATOM 1127 N LEU A 72 4.751 43.479 -7.356 1.00 0.00 N ATOM 1128 CA LEU A 72 4.588 42.051 -6.955 1.00 0.00 C ATOM 1129 C LEU A 72 5.957 41.428 -6.679 1.00 0.00 C ATOM 1130 O LEU A 72 6.919 41.669 -7.382 1.00 0.00 O ATOM 1131 CB LEU A 72 3.894 41.283 -8.081 1.00 0.00 C ATOM 1132 CG LEU A 72 2.634 42.037 -8.511 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.498 41.977 -10.034 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.408 41.390 -7.863 1.00 0.00 C ATOM 0 H LEU A 72 4.701 43.656 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 72 3.983 41.999 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.570 41.169 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.633 40.280 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 72 2.707 43.077 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.600 42.514 -10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.372 42.437 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.425 40.937 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.509 41.926 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.335 40.350 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.505 41.433 -6.778 1.00 0.00 H new ATOM 1146 N VAL A 73 6.046 40.623 -5.654 1.00 0.00 N ATOM 1147 CA VAL A 73 7.343 39.973 -5.318 1.00 0.00 C ATOM 1148 C VAL A 73 7.150 38.455 -5.270 1.00 0.00 C ATOM 1149 O VAL A 73 6.305 37.949 -4.558 1.00 0.00 O ATOM 1150 CB VAL A 73 7.820 40.467 -3.950 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.166 39.821 -3.614 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.979 41.989 -3.984 1.00 0.00 C ATOM 0 H VAL A 73 5.272 40.388 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 73 8.085 40.225 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 73 7.087 40.195 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.505 40.173 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.053 38.737 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.899 40.092 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.319 42.341 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.711 42.261 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.020 42.450 -4.222 1.00 0.00 H new ATOM 1162 N GLY A 74 7.927 37.725 -6.021 1.00 0.00 N ATOM 1163 CA GLY A 74 7.787 36.240 -6.017 1.00 0.00 C ATOM 1164 C GLY A 74 8.778 35.638 -5.017 1.00 0.00 C ATOM 1165 O GLY A 74 9.683 36.302 -4.553 1.00 0.00 O ATOM 0 H GLY A 74 8.653 38.091 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.768 35.961 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.974 35.843 -7.015 1.00 0.00 H new ATOM 1169 N PRO A 75 8.598 34.350 -4.680 1.00 0.00 N ATOM 1170 CA PRO A 75 7.511 33.528 -5.227 1.00 0.00 C ATOM 1171 C PRO A 75 6.138 33.980 -4.721 1.00 0.00 C ATOM 1172 O PRO A 75 5.987 34.423 -3.600 1.00 0.00 O ATOM 1173 CB PRO A 75 7.830 32.124 -4.718 1.00 0.00 C ATOM 1174 CG PRO A 75 8.643 32.349 -3.487 1.00 0.00 C ATOM 1175 CD PRO A 75 9.441 33.597 -3.737 1.00 0.00 C ATOM 0 HA PRO A 75 7.456 33.596 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.920 31.566 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.384 31.549 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.002 32.465 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.298 31.500 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.614 34.155 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.419 33.372 -4.162 1.00 0.00 H new ATOM 1183 N PHE A 76 5.140 33.878 -5.556 1.00 0.00 N ATOM 1184 CA PHE A 76 3.770 34.309 -5.161 1.00 0.00 C ATOM 1185 C PHE A 76 2.993 33.137 -4.557 1.00 0.00 C ATOM 1186 O PHE A 76 3.235 31.986 -4.871 1.00 0.00 O ATOM 1187 CB PHE A 76 3.034 34.804 -6.406 1.00 0.00 C ATOM 1188 CG PHE A 76 3.770 35.991 -6.980 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.736 37.222 -6.315 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.488 35.860 -8.174 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.421 38.322 -6.843 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.173 36.960 -8.703 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.139 38.191 -8.037 1.00 0.00 C ATOM 0 H PHE A 76 5.217 33.511 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 76 3.845 35.103 -4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.972 34.007 -7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.012 35.083 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.181 37.323 -5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.514 34.910 -8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.396 39.272 -6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.727 36.859 -9.624 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.667 39.040 -8.445 1.00 0.00 H new ATOM 1203 N ASN A 77 2.047 33.425 -3.703 1.00 0.00 N ATOM 1204 CA ASN A 77 1.234 32.338 -3.087 1.00 0.00 C ATOM 1205 C ASN A 77 -0.199 32.434 -3.618 1.00 0.00 C ATOM 1206 O ASN A 77 -0.732 33.511 -3.788 1.00 0.00 O ATOM 1207 CB ASN A 77 1.228 32.502 -1.567 1.00 0.00 C ATOM 1208 CG ASN A 77 2.616 32.942 -1.096 1.00 0.00 C ATOM 1209 OD1 ASN A 77 2.879 34.215 -0.985 1.00 0.00 O flip ATOM 1210 ND2 ASN A 77 3.469 32.119 -0.829 1.00 0.00 N flip ATOM 0 H ASN A 77 1.802 34.369 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 77 1.660 31.367 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.482 33.240 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.952 31.562 -1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.263 31.124 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.392 32.423 -0.518 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.830 31.326 -3.885 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.226 31.381 -4.408 1.00 0.00 C ATOM 1219 C PHE A 78 -3.115 30.415 -3.616 1.00 0.00 C ATOM 1220 O PHE A 78 -2.743 29.287 -3.358 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.230 30.970 -5.882 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.456 31.982 -6.694 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.065 31.871 -6.808 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.131 33.027 -7.336 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.651 32.807 -7.566 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.415 33.963 -8.092 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.023 33.853 -8.207 1.00 0.00 C ATOM 0 H PHE A 78 -0.444 30.389 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.609 32.396 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.785 29.981 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.254 30.902 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.455 31.065 -6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.204 33.111 -7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.724 32.721 -7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.936 34.770 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.530 34.575 -8.790 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.292 30.842 -3.241 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.203 29.936 -2.482 1.00 0.00 C ATOM 1239 C ARG A 79 -6.491 29.755 -3.285 1.00 0.00 C ATOM 1240 O ARG A 79 -6.951 30.662 -3.950 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.518 30.535 -1.110 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.691 29.783 -0.481 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.980 30.358 0.908 1.00 0.00 C ATOM 1244 NE ARG A 79 -8.129 29.631 1.517 1.00 0.00 N ATOM 1245 CZ ARG A 79 -9.304 30.196 1.571 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -9.617 30.956 2.585 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -10.165 30.003 0.610 1.00 0.00 N ATOM 0 H ARG A 79 -4.661 31.775 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.722 28.970 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.643 30.470 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.762 31.592 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.574 29.871 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.457 28.721 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.099 30.264 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.207 31.421 0.833 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.997 28.692 1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.943 31.108 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.536 31.398 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.920 29.411 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.084 30.444 0.652 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.053 28.577 -3.268 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.281 28.329 -4.072 1.00 0.00 C ATOM 1263 C PHE A 80 -9.424 27.797 -3.209 1.00 0.00 C ATOM 1264 O PHE A 80 -9.223 27.020 -2.299 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.949 27.286 -5.134 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.230 27.961 -6.273 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.965 28.523 -6.063 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.828 28.034 -7.534 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.299 29.158 -7.115 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.161 28.668 -8.587 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.896 29.231 -8.378 1.00 0.00 C ATOM 0 H PHE A 80 -6.715 27.777 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.602 29.271 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.326 26.500 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.861 26.810 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.504 28.466 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.804 27.601 -7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.324 29.592 -6.953 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.622 28.723 -9.562 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.382 29.721 -9.191 1.00 0.00 H new ATOM 1281 N MET A 81 -10.629 28.190 -3.516 1.00 0.00 N ATOM 1282 CA MET A 81 -11.802 27.688 -2.748 1.00 0.00 C ATOM 1283 C MET A 81 -12.805 27.109 -3.743 1.00 0.00 C ATOM 1284 O MET A 81 -13.214 27.764 -4.680 1.00 0.00 O ATOM 1285 CB MET A 81 -12.444 28.827 -1.953 1.00 0.00 C ATOM 1286 CG MET A 81 -13.757 28.340 -1.338 1.00 0.00 C ATOM 1287 SD MET A 81 -14.354 29.560 -0.143 1.00 0.00 S ATOM 1288 CE MET A 81 -14.696 28.405 1.207 1.00 0.00 C ATOM 0 H MET A 81 -10.852 28.840 -4.269 1.00 0.00 H new ATOM 0 HA MET A 81 -11.487 26.921 -2.041 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.766 29.166 -1.169 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.629 29.681 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.502 28.186 -2.119 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.606 27.378 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.328 28.822 2.144 1.00 0.00 H new ATOM 0 HE2 MET A 81 -15.771 28.240 1.281 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.196 27.457 1.010 1.00 0.00 H new ATOM 1298 N SER A 82 -13.180 25.872 -3.565 1.00 0.00 N ATOM 1299 CA SER A 82 -14.128 25.244 -4.522 1.00 0.00 C ATOM 1300 C SER A 82 -15.548 25.723 -4.235 1.00 0.00 C ATOM 1301 O SER A 82 -15.940 25.878 -3.096 1.00 0.00 O ATOM 1302 CB SER A 82 -14.066 23.724 -4.377 1.00 0.00 C ATOM 1303 OG SER A 82 -14.844 23.323 -3.258 1.00 0.00 O ATOM 0 H SER A 82 -12.871 25.272 -2.800 1.00 0.00 H new ATOM 0 HA SER A 82 -13.852 25.527 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.439 23.246 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.033 23.402 -4.249 1.00 0.00 H new ATOM 0 HG SER A 82 -15.716 22.998 -3.565 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.320 25.944 -5.260 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.724 26.401 -5.049 1.00 0.00 C ATOM 1311 C LYS A 83 -18.356 25.570 -3.926 1.00 0.00 C ATOM 1312 O LYS A 83 -19.026 26.091 -3.057 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.524 26.216 -6.339 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.954 27.126 -7.429 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.972 27.266 -8.562 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.644 28.509 -9.390 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.557 29.621 -9.000 1.00 0.00 N ATOM 0 H LYS A 83 -16.042 25.829 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.731 27.456 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.481 25.175 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.574 26.453 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.720 28.106 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.022 26.711 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.952 26.379 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.979 27.344 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.607 28.803 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.753 28.291 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.334 30.467 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.543 29.338 -9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.432 29.835 -7.990 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.148 24.279 -3.943 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.735 23.407 -2.880 1.00 0.00 C ATOM 1333 C GLY A 84 -18.152 23.784 -1.513 1.00 0.00 C ATOM 1334 O GLY A 84 -18.555 23.263 -0.491 1.00 0.00 O ATOM 0 H GLY A 84 -17.596 23.790 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.819 23.517 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.524 22.360 -3.099 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.218 24.693 -1.486 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.622 25.114 -0.186 1.00 0.00 C ATOM 1340 C GLY A 85 -15.326 24.344 0.079 1.00 0.00 C ATOM 1341 O GLY A 85 -14.968 24.095 1.214 1.00 0.00 O ATOM 0 H GLY A 85 -16.841 25.164 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.420 26.185 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.331 24.935 0.622 1.00 0.00 H new ATOM 1345 N MET A 86 -14.613 23.971 -0.948 1.00 0.00 N ATOM 1346 CA MET A 86 -13.335 23.228 -0.728 1.00 0.00 C ATOM 1347 C MET A 86 -12.163 24.186 -0.944 1.00 0.00 C ATOM 1348 O MET A 86 -11.873 24.586 -2.053 1.00 0.00 O ATOM 1349 CB MET A 86 -13.237 22.057 -1.709 1.00 0.00 C ATOM 1350 CG MET A 86 -14.547 21.266 -1.691 1.00 0.00 C ATOM 1351 SD MET A 86 -14.515 20.076 -0.327 1.00 0.00 S ATOM 1352 CE MET A 86 -13.218 19.002 -0.990 1.00 0.00 C ATOM 0 H MET A 86 -14.855 24.146 -1.923 1.00 0.00 H new ATOM 0 HA MET A 86 -13.308 22.836 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.037 22.427 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.404 21.409 -1.436 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.392 21.944 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.683 20.745 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.305 18.010 -0.547 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.325 18.927 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.241 19.421 -0.751 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.497 24.575 0.109 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.363 25.530 -0.039 1.00 0.00 C ATOM 1364 C ARG A 87 -9.037 24.783 -0.202 1.00 0.00 C ATOM 1365 O ARG A 87 -8.790 23.777 0.431 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.289 26.421 1.201 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.640 27.104 1.420 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.591 27.932 2.706 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.647 27.023 3.884 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.686 26.255 4.068 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -13.889 26.752 3.981 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.521 24.989 4.340 1.00 0.00 N ATOM 0 H ARG A 87 -11.689 24.273 1.064 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.533 26.135 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.025 25.825 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.507 27.170 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.877 27.745 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.431 26.357 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.677 28.526 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.427 28.631 2.733 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.873 27.001 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.018 27.741 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -14.701 26.151 4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.580 24.600 4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.333 24.388 4.484 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.173 25.299 -1.035 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.843 24.667 -1.241 1.00 0.00 C ATOM 1388 C ASN A 88 -5.792 25.779 -1.282 1.00 0.00 C ATOM 1389 O ASN A 88 -6.030 26.842 -1.820 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.833 23.893 -2.562 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.766 22.684 -2.454 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.658 22.516 -3.261 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.596 21.829 -1.482 1.00 0.00 N ATOM 0 H ASN A 88 -8.337 26.141 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.626 23.970 -0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.154 24.541 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.820 23.564 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.212 21.020 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.847 21.970 -0.804 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.643 25.559 -0.711 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.605 26.628 -0.719 1.00 0.00 C ATOM 1402 C VAL A 89 -2.334 26.124 -1.400 1.00 0.00 C ATOM 1403 O VAL A 89 -1.884 25.020 -1.167 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.281 27.037 0.720 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.491 28.348 0.713 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.583 27.233 1.499 1.00 0.00 C ATOM 0 H VAL A 89 -4.377 24.693 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.987 27.488 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.686 26.256 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.260 28.639 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.563 28.211 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.086 29.129 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.353 27.524 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.177 28.014 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.148 26.301 1.505 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.743 26.937 -2.231 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.491 26.524 -2.920 1.00 0.00 C ATOM 1418 C PHE A 90 0.587 27.570 -2.643 1.00 0.00 C ATOM 1419 O PHE A 90 0.427 28.736 -2.944 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.735 26.424 -4.427 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.863 25.456 -4.696 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.599 24.086 -4.808 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.173 25.932 -4.837 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.645 23.191 -5.062 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.219 25.035 -5.091 1.00 0.00 C ATOM 1426 CZ PHE A 90 -3.955 23.665 -5.203 1.00 0.00 C ATOM 0 H PHE A 90 -2.076 27.873 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.170 25.550 -2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.981 27.406 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.172 26.090 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.589 23.720 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.376 26.989 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.441 22.134 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.229 25.401 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.761 22.974 -5.398 1.00 0.00 H new ATOM 1436 N ASP A 91 1.685 27.168 -2.065 1.00 0.00 N ATOM 1437 CA ASP A 91 2.765 28.146 -1.764 1.00 0.00 C ATOM 1438 C ASP A 91 3.825 28.097 -2.865 1.00 0.00 C ATOM 1439 O ASP A 91 4.081 27.065 -3.452 1.00 0.00 O ATOM 1440 CB ASP A 91 3.406 27.800 -0.419 1.00 0.00 C ATOM 1441 CG ASP A 91 4.319 28.945 0.023 1.00 0.00 C ATOM 1442 OD1 ASP A 91 4.483 29.876 -0.749 1.00 0.00 O ATOM 1443 OD2 ASP A 91 4.839 28.872 1.123 1.00 0.00 O ATOM 0 H ASP A 91 1.880 26.206 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 91 2.342 29.149 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.633 27.628 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.979 26.877 -0.504 1.00 0.00 H new ATOM 1448 N GLU A 92 4.447 29.210 -3.142 1.00 0.00 N ATOM 1449 CA GLU A 92 5.496 29.239 -4.197 1.00 0.00 C ATOM 1450 C GLU A 92 4.953 28.627 -5.490 1.00 0.00 C ATOM 1451 O GLU A 92 5.535 27.716 -6.044 1.00 0.00 O ATOM 1452 CB GLU A 92 6.709 28.437 -3.726 1.00 0.00 C ATOM 1453 CG GLU A 92 7.024 28.794 -2.271 1.00 0.00 C ATOM 1454 CD GLU A 92 8.215 27.964 -1.789 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.460 26.921 -2.372 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.862 28.387 -0.845 1.00 0.00 O ATOM 0 H GLU A 92 4.272 30.103 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 92 5.787 30.272 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.509 27.369 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.569 28.653 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.250 29.857 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.155 28.602 -1.642 1.00 0.00 H new ATOM 1463 N VAL A 93 3.847 29.117 -5.984 1.00 0.00 N ATOM 1464 CA VAL A 93 3.285 28.553 -7.245 1.00 0.00 C ATOM 1465 C VAL A 93 3.977 29.206 -8.442 1.00 0.00 C ATOM 1466 O VAL A 93 4.169 28.590 -9.472 1.00 0.00 O ATOM 1467 CB VAL A 93 1.783 28.836 -7.307 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.235 28.390 -8.663 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.071 28.067 -6.192 1.00 0.00 C ATOM 0 H VAL A 93 3.311 29.880 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 93 3.451 27.476 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 93 1.610 29.905 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.165 28.592 -8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.741 28.938 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.408 27.322 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.001 28.269 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.244 26.998 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.460 28.385 -5.225 1.00 0.00 H new ATOM 1479 N ILE A 94 4.354 30.448 -8.317 1.00 0.00 N ATOM 1480 CA ILE A 94 5.036 31.137 -9.448 1.00 0.00 C ATOM 1481 C ILE A 94 6.189 31.981 -8.905 1.00 0.00 C ATOM 1482 O ILE A 94 6.011 32.793 -8.017 1.00 0.00 O ATOM 1483 CB ILE A 94 4.036 32.042 -10.172 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.057 31.181 -10.974 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.789 32.976 -11.122 1.00 0.00 C ATOM 1486 CD1 ILE A 94 2.077 32.085 -11.724 1.00 0.00 C ATOM 0 H ILE A 94 4.219 31.016 -7.480 1.00 0.00 H new ATOM 0 HA ILE A 94 5.424 30.396 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 94 3.485 32.634 -9.441 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.602 30.554 -11.679 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.513 30.512 -10.307 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.078 33.621 -11.638 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.487 33.589 -10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.339 32.384 -11.854 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.380 31.471 -12.295 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.523 32.693 -11.009 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.629 32.735 -12.403 1.00 0.00 H new ATOM 1498 N PRO A 95 7.399 31.779 -9.447 1.00 0.00 N ATOM 1499 CA PRO A 95 8.590 32.518 -9.016 1.00 0.00 C ATOM 1500 C PRO A 95 8.533 33.987 -9.443 1.00 0.00 C ATOM 1501 O PRO A 95 7.747 34.370 -10.287 1.00 0.00 O ATOM 1502 CB PRO A 95 9.735 31.804 -9.735 1.00 0.00 C ATOM 1503 CG PRO A 95 9.097 31.180 -10.931 1.00 0.00 C ATOM 1504 CD PRO A 95 7.697 30.818 -10.522 1.00 0.00 C ATOM 0 HA PRO A 95 8.695 32.530 -7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.519 32.504 -10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.198 31.053 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.089 31.872 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.650 30.296 -11.250 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.998 30.914 -11.353 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.634 29.788 -10.170 1.00 0.00 H new ATOM 1512 N THR A 96 9.354 34.814 -8.856 1.00 0.00 N ATOM 1513 CA THR A 96 9.344 36.260 -9.216 1.00 0.00 C ATOM 1514 C THR A 96 9.525 36.425 -10.727 1.00 0.00 C ATOM 1515 O THR A 96 8.939 37.297 -11.336 1.00 0.00 O ATOM 1516 CB THR A 96 10.487 36.973 -8.489 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.536 36.531 -7.140 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.253 38.483 -8.526 1.00 0.00 C ATOM 0 H THR A 96 10.032 34.550 -8.141 1.00 0.00 H new ATOM 0 HA THR A 96 8.389 36.695 -8.920 1.00 0.00 H new ATOM 0 HB THR A 96 11.432 36.743 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.268 36.985 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.067 38.990 -8.008 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.216 38.820 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.309 38.717 -8.034 1.00 0.00 H new ATOM 1526 N ALA A 97 10.337 35.605 -11.338 1.00 0.00 N ATOM 1527 CA ALA A 97 10.550 35.739 -12.808 1.00 0.00 C ATOM 1528 C ALA A 97 9.554 34.853 -13.560 1.00 0.00 C ATOM 1529 O ALA A 97 9.778 33.674 -13.749 1.00 0.00 O ATOM 1530 CB ALA A 97 11.978 35.314 -13.157 1.00 0.00 C ATOM 0 H ALA A 97 10.859 34.853 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 97 10.397 36.778 -13.100 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.134 35.412 -14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.687 35.951 -12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.131 34.276 -12.861 1.00 0.00 H new ATOM 1536 N PHE A 98 8.458 35.411 -13.995 1.00 0.00 N ATOM 1537 CA PHE A 98 7.453 34.600 -14.738 1.00 0.00 C ATOM 1538 C PHE A 98 7.528 34.935 -16.228 1.00 0.00 C ATOM 1539 O PHE A 98 7.763 36.064 -16.610 1.00 0.00 O ATOM 1540 CB PHE A 98 6.053 34.919 -14.213 1.00 0.00 C ATOM 1541 CG PHE A 98 5.840 36.413 -14.224 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.312 37.037 -15.361 1.00 0.00 C ATOM 1543 CD2 PHE A 98 6.170 37.176 -13.098 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.113 38.422 -15.372 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.972 38.563 -13.108 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.443 39.185 -14.245 1.00 0.00 C ATOM 0 H PHE A 98 8.215 36.393 -13.868 1.00 0.00 H new ATOM 0 HA PHE A 98 7.662 33.540 -14.594 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.301 34.429 -14.831 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.935 34.532 -13.201 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.058 36.449 -16.230 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.578 36.695 -12.221 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.705 38.902 -16.249 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.227 39.152 -12.239 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.289 40.254 -14.253 1.00 0.00 H new ATOM 1556 N SER A 99 7.334 33.961 -17.075 1.00 0.00 N ATOM 1557 CA SER A 99 7.398 34.225 -18.539 1.00 0.00 C ATOM 1558 C SER A 99 6.031 33.952 -19.172 1.00 0.00 C ATOM 1559 O SER A 99 5.484 32.875 -19.051 1.00 0.00 O ATOM 1560 CB SER A 99 8.443 33.309 -19.176 1.00 0.00 C ATOM 1561 OG SER A 99 8.063 31.953 -18.988 1.00 0.00 O ATOM 0 H SER A 99 7.134 32.995 -16.816 1.00 0.00 H new ATOM 0 HA SER A 99 7.673 35.266 -18.706 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.534 33.528 -20.240 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.421 33.489 -18.729 1.00 0.00 H new ATOM 0 HG SER A 99 7.091 31.898 -18.876 1.00 0.00 H new ATOM 1567 N ILE A 100 5.477 34.921 -19.849 1.00 0.00 N ATOM 1568 CA ILE A 100 4.148 34.716 -20.490 1.00 0.00 C ATOM 1569 C ILE A 100 4.261 33.636 -21.567 1.00 0.00 C ATOM 1570 O ILE A 100 5.216 33.590 -22.316 1.00 0.00 O ATOM 1571 CB ILE A 100 3.682 36.026 -21.129 1.00 0.00 C ATOM 1572 CG1 ILE A 100 3.494 37.086 -20.042 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.352 35.796 -21.849 1.00 0.00 C ATOM 1574 CD1 ILE A 100 4.082 38.416 -20.518 1.00 0.00 C ATOM 0 H ILE A 100 5.887 35.845 -19.986 1.00 0.00 H new ATOM 0 HA ILE A 100 3.426 34.402 -19.736 1.00 0.00 H new ATOM 0 HB ILE A 100 4.430 36.367 -21.844 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.435 37.205 -19.815 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.984 36.769 -19.121 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.019 36.728 -22.305 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.483 35.040 -22.623 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.605 35.455 -21.133 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.948 39.171 -19.743 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.145 38.291 -20.723 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.572 38.735 -21.427 1.00 0.00 H new ATOM 1586 N GLY A 101 3.292 32.766 -21.651 1.00 0.00 N ATOM 1587 CA GLY A 101 3.343 31.691 -22.682 1.00 0.00 C ATOM 1588 C GLY A 101 3.762 30.373 -22.028 1.00 0.00 C ATOM 1589 O GLY A 101 3.797 29.337 -22.662 1.00 0.00 O ATOM 0 H GLY A 101 2.468 32.753 -21.051 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.367 31.580 -23.155 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.049 31.960 -23.468 1.00 0.00 H new ATOM 1593 N LYS A 102 4.079 30.400 -20.763 1.00 0.00 N ATOM 1594 CA LYS A 102 4.491 29.145 -20.074 1.00 0.00 C ATOM 1595 C LYS A 102 3.501 28.838 -18.951 1.00 0.00 C ATOM 1596 O LYS A 102 3.014 29.728 -18.283 1.00 0.00 O ATOM 1597 CB LYS A 102 5.893 29.320 -19.488 1.00 0.00 C ATOM 1598 CG LYS A 102 6.457 27.955 -19.093 1.00 0.00 C ATOM 1599 CD LYS A 102 7.845 28.136 -18.474 1.00 0.00 C ATOM 1600 CE LYS A 102 8.512 26.770 -18.308 1.00 0.00 C ATOM 1601 NZ LYS A 102 8.312 25.966 -19.546 1.00 0.00 N ATOM 0 H LYS A 102 4.071 31.235 -20.178 1.00 0.00 H new ATOM 0 HA LYS A 102 4.499 28.322 -20.788 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.546 29.797 -20.218 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.855 29.975 -18.618 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.791 27.466 -18.382 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.519 27.308 -19.968 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.457 28.777 -19.109 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.762 28.632 -17.507 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.577 26.895 -18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.088 26.248 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.031 25.216 -19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.365 25.537 -19.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.401 26.583 -20.379 1.00 0.00 H new ATOM 1615 N THR A 103 3.195 27.587 -18.732 1.00 0.00 N ATOM 1616 CA THR A 103 2.235 27.247 -17.647 1.00 0.00 C ATOM 1617 C THR A 103 2.961 27.356 -16.306 1.00 0.00 C ATOM 1618 O THR A 103 4.158 27.552 -16.264 1.00 0.00 O ATOM 1619 CB THR A 103 1.729 25.816 -17.843 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.390 25.619 -19.209 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.494 25.584 -16.971 1.00 0.00 C ATOM 0 H THR A 103 3.566 26.793 -19.254 1.00 0.00 H new ATOM 0 HA THR A 103 1.386 27.930 -17.668 1.00 0.00 H new ATOM 0 HB THR A 103 2.510 25.112 -17.556 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.067 24.703 -19.337 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.135 24.564 -17.112 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.755 25.735 -15.923 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.289 26.287 -17.255 1.00 0.00 H new ATOM 1629 N TYR A 104 2.270 27.222 -15.207 1.00 0.00 N ATOM 1630 CA TYR A 104 2.965 27.311 -13.895 1.00 0.00 C ATOM 1631 C TYR A 104 2.119 26.607 -12.835 1.00 0.00 C ATOM 1632 O TYR A 104 1.194 27.172 -12.285 1.00 0.00 O ATOM 1633 CB TYR A 104 3.164 28.780 -13.520 1.00 0.00 C ATOM 1634 CG TYR A 104 4.430 29.286 -14.167 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.673 28.829 -13.716 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.360 30.204 -15.221 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.850 29.293 -14.317 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.538 30.669 -15.824 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.781 30.213 -15.371 1.00 0.00 C ATOM 1640 OH TYR A 104 7.941 30.669 -15.964 1.00 0.00 O ATOM 0 H TYR A 104 1.265 27.056 -15.162 1.00 0.00 H new ATOM 0 HA TYR A 104 3.941 26.829 -13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.310 29.372 -13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.226 28.887 -12.437 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.725 28.118 -12.904 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.400 30.554 -15.570 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.810 28.942 -13.968 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.486 31.378 -16.637 1.00 0.00 H new ATOM 0 HH TYR A 104 7.744 30.977 -16.873 1.00 0.00 H new ATOM 1650 N LYS A 105 2.423 25.371 -12.552 1.00 0.00 N ATOM 1651 CA LYS A 105 1.629 24.619 -11.537 1.00 0.00 C ATOM 1652 C LYS A 105 2.332 24.678 -10.181 1.00 0.00 C ATOM 1653 O LYS A 105 3.519 24.914 -10.094 1.00 0.00 O ATOM 1654 CB LYS A 105 1.496 23.158 -11.974 1.00 0.00 C ATOM 1655 CG LYS A 105 2.808 22.695 -12.611 1.00 0.00 C ATOM 1656 CD LYS A 105 2.922 21.173 -12.499 1.00 0.00 C ATOM 1657 CE LYS A 105 3.550 20.615 -13.778 1.00 0.00 C ATOM 1658 NZ LYS A 105 4.928 20.130 -13.485 1.00 0.00 N ATOM 0 H LYS A 105 3.187 24.848 -12.979 1.00 0.00 H new ATOM 0 HA LYS A 105 0.640 25.069 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.255 22.531 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.677 23.053 -12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.842 22.997 -13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.653 23.171 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.531 20.905 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.937 20.734 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.941 19.799 -14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.581 21.387 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.355 19.751 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.506 20.919 -13.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.887 19.381 -12.765 1.00 0.00 H new ATOM 1672 N PRO A 106 1.569 24.452 -9.102 1.00 0.00 N ATOM 1673 CA PRO A 106 2.102 24.472 -7.735 1.00 0.00 C ATOM 1674 C PRO A 106 2.999 23.261 -7.460 1.00 0.00 C ATOM 1675 O PRO A 106 2.803 22.193 -8.008 1.00 0.00 O ATOM 1676 CB PRO A 106 0.849 24.403 -6.862 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.177 23.745 -7.722 1.00 0.00 C ATOM 1678 CD PRO A 106 0.125 24.162 -9.133 1.00 0.00 C ATOM 0 HA PRO A 106 2.720 25.350 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.031 23.829 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.527 25.397 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.133 22.661 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.182 24.052 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.111 23.371 -9.845 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.454 25.038 -9.426 1.00 0.00 H new ATOM 1686 N GLU A 107 3.983 23.417 -6.616 1.00 0.00 N ATOM 1687 CA GLU A 107 4.891 22.275 -6.310 1.00 0.00 C ATOM 1688 C GLU A 107 4.083 21.128 -5.701 1.00 0.00 C ATOM 1689 O GLU A 107 4.334 19.970 -5.966 1.00 0.00 O ATOM 1690 CB GLU A 107 5.962 22.728 -5.317 1.00 0.00 C ATOM 1691 CG GLU A 107 6.821 23.823 -5.955 1.00 0.00 C ATOM 1692 CD GLU A 107 8.016 24.127 -5.049 1.00 0.00 C ATOM 1693 OE1 GLU A 107 8.144 23.469 -4.030 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.783 25.011 -5.392 1.00 0.00 O ATOM 0 H GLU A 107 4.197 24.285 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 107 5.368 21.934 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.494 23.103 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.587 21.883 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.168 23.502 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.227 24.724 -6.106 1.00 0.00 H new ATOM 1701 N GLU A 108 3.114 21.441 -4.883 1.00 0.00 N ATOM 1702 CA GLU A 108 2.293 20.366 -4.257 1.00 0.00 C ATOM 1703 C GLU A 108 0.817 20.767 -4.289 1.00 0.00 C ATOM 1704 O GLU A 108 0.157 20.448 -5.265 1.00 0.00 O ATOM 1705 CB GLU A 108 2.736 20.168 -2.806 1.00 0.00 C ATOM 1706 CG GLU A 108 2.245 18.808 -2.304 1.00 0.00 C ATOM 1707 CD GLU A 108 2.684 18.613 -0.851 1.00 0.00 C ATOM 1708 OE1 GLU A 108 3.463 19.422 -0.374 1.00 0.00 O ATOM 1709 OE2 GLU A 108 2.233 17.658 -0.240 1.00 0.00 O ATOM 1710 OXT GLU A 108 0.371 21.388 -3.338 1.00 0.00 O ATOM 0 H GLU A 108 2.856 22.393 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 108 2.428 19.436 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.822 20.223 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.335 20.965 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.159 18.751 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.649 18.010 -2.928 1.00 0.00 H new TER 1717 GLU A 108