USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 MET CE :methyl 168:sc= -1.48 (180deg=-1.67) USER MOD Set 1.2: A 91 MET CE :methyl -155:sc= -0.0301 (180deg=-0.17) USER MOD Set 1.3: A 102 MET CE :methyl -170:sc=-0.00935 (180deg=-0.2) USER MOD Set 2.1: A 44 CYS SG : rot 70:sc= -0.0131 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.59! C(o=-1.6!,f=-4.6!) USER MOD Set 3.1: A 25 TYR OH : rot -149:sc= 1.24 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -1.42 K(o=-0.18,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00741 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.338 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -56:sc= 0.44 USER MOD Single : A 11 SER OG : rot 22:sc= 0.396 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -151:sc= 1.37 USER MOD Single : A 19 GLN : amide:sc= 0.0421 X(o=0.042,f=-0.017) USER MOD Single : A 21 GLN : amide:sc= -0.51 X(o=-0.51,f=-1) USER MOD Single : A 22 THR OG1 : rot -50:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= -3.53! C(o=-3.5!,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot -35:sc= 0.866 USER MOD Single : A 34 THR OG1 : rot -95:sc= 1.52 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 80:sc= 1.06 USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -1.16 (180deg=-3.36!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 37:sc= 0.401 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0237 K(o=-0.024,f=-0.92) USER MOD Single : A 64 ASN : amide:sc= -0.771 X(o=-0.77,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.45 K(o=1.4,f=-0.011) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.231 F(o=-0.94,f=-0.23) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.0198 (180deg=-0.0198) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -154:sc= -0.118 (180deg=-0.633) USER MOD Single : A 105 TYR OH : rot 119:sc= 0.281 USER MOD Single : A 107 THR OG1 : rot 64:sc= 0.617 USER MOD Single : A 108 GLN :FLIP amide:sc= -1.88! C(o=-2.6!,f=-1.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -138:sc= 0 (180deg=-0.0594) USER MOD Single : A 114 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00308) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.518 -26.840 -8.321 1.00 0.00 N ATOM 2 CA GLY A 1 18.586 -25.732 -8.223 1.00 0.00 C ATOM 3 C GLY A 1 17.145 -26.171 -8.388 1.00 0.00 C ATOM 4 O GLY A 1 16.842 -27.032 -9.213 1.00 0.00 O ATOM 0 H1 GLY A 1 20.372 -26.531 -8.828 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.778 -27.160 -7.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.072 -27.624 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.706 -25.245 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.826 -24.991 -8.985 1.00 0.00 H new ATOM 8 N SER A 2 16.253 -25.577 -7.601 1.00 0.00 N ATOM 9 CA SER A 2 14.836 -25.916 -7.660 1.00 0.00 C ATOM 10 C SER A 2 13.994 -24.679 -7.957 1.00 0.00 C ATOM 11 O SER A 2 14.115 -23.655 -7.283 1.00 0.00 O ATOM 12 CB SER A 2 14.386 -26.549 -6.342 1.00 0.00 C ATOM 13 OG SER A 2 14.411 -25.603 -5.287 1.00 0.00 O ATOM 0 H SER A 2 16.487 -24.859 -6.915 1.00 0.00 H new ATOM 0 HA SER A 2 14.693 -26.634 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.378 -26.949 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.037 -27.389 -6.097 1.00 0.00 H new ATOM 0 HG SER A 2 14.386 -24.697 -5.659 1.00 0.00 H new ATOM 19 N SER A 3 13.140 -24.781 -8.970 1.00 0.00 N ATOM 20 CA SER A 3 12.280 -23.670 -9.360 1.00 0.00 C ATOM 21 C SER A 3 10.836 -23.927 -8.939 1.00 0.00 C ATOM 22 O SER A 3 10.273 -24.983 -9.224 1.00 0.00 O ATOM 23 CB SER A 3 12.350 -23.449 -10.872 1.00 0.00 C ATOM 24 OG SER A 3 13.694 -23.334 -11.309 1.00 0.00 O ATOM 0 H SER A 3 13.025 -25.622 -9.536 1.00 0.00 H new ATOM 0 HA SER A 3 12.635 -22.773 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.867 -24.279 -11.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.800 -22.546 -11.137 1.00 0.00 H new ATOM 0 HG SER A 3 13.712 -23.195 -12.279 1.00 0.00 H new ATOM 30 N GLY A 4 10.243 -22.951 -8.257 1.00 0.00 N ATOM 31 CA GLY A 4 8.870 -23.090 -7.807 1.00 0.00 C ATOM 32 C GLY A 4 8.777 -23.519 -6.356 1.00 0.00 C ATOM 33 O GLY A 4 8.413 -24.657 -6.060 1.00 0.00 O ATOM 0 H GLY A 4 10.688 -22.068 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.351 -22.140 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.358 -23.821 -8.433 1.00 0.00 H new ATOM 37 N SER A 5 9.108 -22.606 -5.448 1.00 0.00 N ATOM 38 CA SER A 5 9.065 -22.898 -4.020 1.00 0.00 C ATOM 39 C SER A 5 7.750 -22.424 -3.408 1.00 0.00 C ATOM 40 O SER A 5 7.284 -21.320 -3.690 1.00 0.00 O ATOM 41 CB SER A 5 10.242 -22.231 -3.306 1.00 0.00 C ATOM 42 OG SER A 5 10.518 -22.870 -2.072 1.00 0.00 O ATOM 0 H SER A 5 9.409 -21.658 -5.676 1.00 0.00 H new ATOM 0 HA SER A 5 9.137 -23.978 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.126 -22.267 -3.943 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.017 -21.179 -3.132 1.00 0.00 H new ATOM 0 HG SER A 5 11.275 -22.426 -1.636 1.00 0.00 H new ATOM 48 N SER A 6 7.156 -23.267 -2.570 1.00 0.00 N ATOM 49 CA SER A 6 5.893 -22.938 -1.921 1.00 0.00 C ATOM 50 C SER A 6 4.895 -22.375 -2.928 1.00 0.00 C ATOM 51 O SER A 6 4.181 -21.415 -2.641 1.00 0.00 O ATOM 52 CB SER A 6 6.123 -21.928 -0.794 1.00 0.00 C ATOM 53 OG SER A 6 4.947 -21.748 -0.024 1.00 0.00 O ATOM 0 H SER A 6 7.530 -24.184 -2.324 1.00 0.00 H new ATOM 0 HA SER A 6 5.479 -23.854 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.933 -22.273 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.435 -20.973 -1.216 1.00 0.00 H new ATOM 0 HG SER A 6 4.210 -21.477 -0.611 1.00 0.00 H new ATOM 59 N GLY A 7 4.852 -22.980 -4.111 1.00 0.00 N ATOM 60 CA GLY A 7 3.940 -22.527 -5.144 1.00 0.00 C ATOM 61 C GLY A 7 4.599 -21.576 -6.123 1.00 0.00 C ATOM 62 O GLY A 7 5.776 -21.726 -6.450 1.00 0.00 O ATOM 0 H GLY A 7 5.433 -23.776 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.552 -23.390 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.087 -22.032 -4.680 1.00 0.00 H new ATOM 66 N VAL A 8 3.837 -20.593 -6.595 1.00 0.00 N ATOM 67 CA VAL A 8 4.354 -19.614 -7.544 1.00 0.00 C ATOM 68 C VAL A 8 4.640 -18.283 -6.859 1.00 0.00 C ATOM 69 O VAL A 8 4.336 -17.219 -7.396 1.00 0.00 O ATOM 70 CB VAL A 8 3.367 -19.381 -8.704 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.125 -20.674 -9.467 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.059 -18.807 -8.182 1.00 0.00 C ATOM 0 H VAL A 8 2.860 -20.454 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 8 5.283 -20.020 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 8 3.805 -18.658 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.425 -20.490 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.068 -21.039 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.707 -21.422 -8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.373 -18.649 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.613 -19.504 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.252 -17.856 -7.685 1.00 0.00 H new ATOM 82 N ALA A 9 5.227 -18.350 -5.668 1.00 0.00 N ATOM 83 CA ALA A 9 5.556 -17.150 -4.910 1.00 0.00 C ATOM 84 C ALA A 9 6.852 -16.522 -5.411 1.00 0.00 C ATOM 85 O ALA A 9 7.935 -17.080 -5.228 1.00 0.00 O ATOM 86 CB ALA A 9 5.664 -17.475 -3.427 1.00 0.00 C ATOM 0 H ALA A 9 5.484 -19.223 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 9 4.753 -16.428 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.910 -16.569 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.713 -17.871 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.446 -18.218 -3.273 1.00 0.00 H new ATOM 92 N ARG A 10 6.735 -15.360 -6.045 1.00 0.00 N ATOM 93 CA ARG A 10 7.898 -14.658 -6.575 1.00 0.00 C ATOM 94 C ARG A 10 7.925 -13.210 -6.093 1.00 0.00 C ATOM 95 O ARG A 10 6.908 -12.672 -5.654 1.00 0.00 O ATOM 96 CB ARG A 10 7.891 -14.697 -8.104 1.00 0.00 C ATOM 97 CG ARG A 10 8.235 -16.061 -8.680 1.00 0.00 C ATOM 98 CD ARG A 10 9.736 -16.307 -8.670 1.00 0.00 C ATOM 99 NE ARG A 10 10.120 -17.383 -9.580 1.00 0.00 N ATOM 100 CZ ARG A 10 11.367 -17.588 -9.990 1.00 0.00 C ATOM 101 NH1 ARG A 10 12.344 -16.796 -9.573 1.00 0.00 N ATOM 102 NH2 ARG A 10 11.637 -18.589 -10.819 1.00 0.00 N ATOM 0 H ARG A 10 5.847 -14.885 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 10 8.793 -15.162 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.906 -14.399 -8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.603 -13.963 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.734 -16.838 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.860 -16.131 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.255 -15.391 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.056 -16.556 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 10 9.391 -18.011 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.140 -16.026 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.300 -16.956 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.887 -19.201 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.594 -18.746 -11.134 1.00 0.00 H new ATOM 116 N SER A 11 9.095 -12.586 -6.176 1.00 0.00 N ATOM 117 CA SER A 11 9.256 -11.202 -5.745 1.00 0.00 C ATOM 118 C SER A 11 9.131 -10.246 -6.927 1.00 0.00 C ATOM 119 O SER A 11 9.795 -10.416 -7.950 1.00 0.00 O ATOM 120 CB SER A 11 10.613 -11.013 -5.063 1.00 0.00 C ATOM 121 OG SER A 11 11.676 -11.202 -5.980 1.00 0.00 O ATOM 0 H SER A 11 9.946 -13.017 -6.538 1.00 0.00 H new ATOM 0 HA SER A 11 8.463 -10.975 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.672 -10.012 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.710 -11.719 -4.238 1.00 0.00 H new ATOM 0 HG SER A 11 11.349 -11.063 -6.893 1.00 0.00 H new ATOM 127 N SER A 12 8.275 -9.241 -6.779 1.00 0.00 N ATOM 128 CA SER A 12 8.058 -8.259 -7.835 1.00 0.00 C ATOM 129 C SER A 12 8.812 -6.966 -7.537 1.00 0.00 C ATOM 130 O SER A 12 8.825 -6.488 -6.403 1.00 0.00 O ATOM 131 CB SER A 12 6.565 -7.967 -7.991 1.00 0.00 C ATOM 132 OG SER A 12 6.300 -7.305 -9.216 1.00 0.00 O ATOM 0 H SER A 12 7.720 -9.085 -5.938 1.00 0.00 H new ATOM 0 HA SER A 12 8.438 -8.675 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.003 -8.900 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.223 -7.351 -7.160 1.00 0.00 H new ATOM 0 HG SER A 12 5.339 -7.131 -9.293 1.00 0.00 H new ATOM 138 N LYS A 13 9.438 -6.404 -8.565 1.00 0.00 N ATOM 139 CA LYS A 13 10.194 -5.166 -8.417 1.00 0.00 C ATOM 140 C LYS A 13 9.503 -4.221 -7.439 1.00 0.00 C ATOM 141 O LYS A 13 10.127 -3.711 -6.507 1.00 0.00 O ATOM 142 CB LYS A 13 10.359 -4.479 -9.775 1.00 0.00 C ATOM 143 CG LYS A 13 11.471 -5.072 -10.625 1.00 0.00 C ATOM 144 CD LYS A 13 12.079 -4.032 -11.550 1.00 0.00 C ATOM 145 CE LYS A 13 13.229 -3.294 -10.881 1.00 0.00 C ATOM 146 NZ LYS A 13 14.018 -2.494 -11.858 1.00 0.00 N ATOM 0 H LYS A 13 9.437 -6.786 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 13 11.178 -5.416 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.419 -4.545 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.561 -3.420 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.246 -5.482 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.077 -5.900 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.436 -4.516 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.312 -3.318 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.836 -2.636 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.883 -4.013 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.792 -2.007 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.414 -3.125 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.400 -1.791 -12.311 1.00 0.00 H new ATOM 160 N LEU A 14 8.213 -3.991 -7.656 1.00 0.00 N ATOM 161 CA LEU A 14 7.437 -3.108 -6.792 1.00 0.00 C ATOM 162 C LEU A 14 7.383 -3.650 -5.367 1.00 0.00 C ATOM 163 O LEU A 14 7.686 -2.937 -4.409 1.00 0.00 O ATOM 164 CB LEU A 14 6.019 -2.943 -7.341 1.00 0.00 C ATOM 165 CG LEU A 14 5.001 -2.311 -6.391 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.188 -0.803 -6.335 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.583 -2.659 -6.820 1.00 0.00 C ATOM 0 H LEU A 14 7.682 -4.404 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 14 7.928 -2.135 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.069 -2.335 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.649 -3.925 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 14 5.166 -2.714 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.455 -0.370 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.193 -0.574 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.051 -0.382 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.872 -2.201 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.406 -2.285 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.454 -3.741 -6.807 1.00 0.00 H new ATOM 179 N LEU A 15 6.998 -4.914 -5.235 1.00 0.00 N ATOM 180 CA LEU A 15 6.907 -5.553 -3.926 1.00 0.00 C ATOM 181 C LEU A 15 8.100 -5.177 -3.053 1.00 0.00 C ATOM 182 O LEU A 15 7.942 -4.552 -2.004 1.00 0.00 O ATOM 183 CB LEU A 15 6.835 -7.073 -4.083 1.00 0.00 C ATOM 184 CG LEU A 15 6.849 -7.883 -2.786 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.706 -7.456 -1.878 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.767 -9.372 -3.086 1.00 0.00 C ATOM 0 H LEU A 15 6.744 -5.517 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 15 5.998 -5.200 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.926 -7.319 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.675 -7.395 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 15 7.789 -7.689 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.732 -8.043 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.810 -6.398 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.756 -7.620 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.778 -9.933 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.844 -9.584 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.620 -9.668 -3.697 1.00 0.00 H new ATOM 198 N GLY A 16 9.294 -5.560 -3.493 1.00 0.00 N ATOM 199 CA GLY A 16 10.496 -5.252 -2.741 1.00 0.00 C ATOM 200 C GLY A 16 10.414 -3.911 -2.040 1.00 0.00 C ATOM 201 O GLY A 16 10.576 -3.828 -0.822 1.00 0.00 O ATOM 0 H GLY A 16 9.451 -6.078 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.669 -6.035 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.353 -5.254 -3.415 1.00 0.00 H new ATOM 205 N TRP A 17 10.163 -2.858 -2.809 1.00 0.00 N ATOM 206 CA TRP A 17 10.061 -1.513 -2.254 1.00 0.00 C ATOM 207 C TRP A 17 9.190 -1.504 -1.003 1.00 0.00 C ATOM 208 O TRP A 17 9.619 -1.053 0.060 1.00 0.00 O ATOM 209 CB TRP A 17 9.488 -0.551 -3.296 1.00 0.00 C ATOM 210 CG TRP A 17 9.574 0.889 -2.887 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.680 1.689 -2.931 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.512 1.697 -2.369 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.370 2.946 -2.472 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.046 2.977 -2.122 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.162 1.465 -2.093 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.275 4.018 -1.611 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.399 2.500 -1.585 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.957 3.763 -1.349 1.00 0.00 C ATOM 0 H TRP A 17 10.026 -2.909 -3.819 1.00 0.00 H new ATOM 0 HA TRP A 17 11.063 -1.184 -1.978 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.021 -0.686 -4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.445 -0.807 -3.481 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.655 1.379 -3.276 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.020 3.729 -2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.723 0.495 -2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.703 4.993 -1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.355 2.332 -1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.334 4.551 -0.952 1.00 0.00 H new ATOM 229 N CYS A 18 7.967 -2.005 -1.136 1.00 0.00 N ATOM 230 CA CYS A 18 7.035 -2.055 -0.015 1.00 0.00 C ATOM 231 C CYS A 18 7.615 -2.865 1.139 1.00 0.00 C ATOM 232 O CYS A 18 7.582 -2.434 2.291 1.00 0.00 O ATOM 233 CB CYS A 18 5.702 -2.659 -0.459 1.00 0.00 C ATOM 234 SG CYS A 18 4.876 -1.737 -1.776 1.00 0.00 S ATOM 0 H CYS A 18 7.598 -2.382 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 18 6.866 -1.035 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.873 -3.681 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.036 -2.716 0.402 1.00 0.00 H new ATOM 0 HG CYS A 18 3.590 -1.906 -1.684 1.00 0.00 H new ATOM 240 N GLN A 19 8.145 -4.042 0.821 1.00 0.00 N ATOM 241 CA GLN A 19 8.731 -4.914 1.833 1.00 0.00 C ATOM 242 C GLN A 19 9.854 -4.203 2.581 1.00 0.00 C ATOM 243 O GLN A 19 10.214 -4.589 3.693 1.00 0.00 O ATOM 244 CB GLN A 19 9.263 -6.194 1.187 1.00 0.00 C ATOM 245 CG GLN A 19 8.216 -6.953 0.388 1.00 0.00 C ATOM 246 CD GLN A 19 8.464 -8.449 0.373 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.568 -8.904 0.073 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.435 -9.223 0.699 1.00 0.00 N ATOM 0 H GLN A 19 8.181 -4.413 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 19 7.951 -5.174 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.096 -5.941 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.658 -6.847 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.230 -6.756 0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.205 -6.580 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.537 -8.803 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.542 -10.237 0.707 1.00 0.00 H new ATOM 257 N ARG A 20 10.404 -3.163 1.963 1.00 0.00 N ATOM 258 CA ARG A 20 11.487 -2.399 2.569 1.00 0.00 C ATOM 259 C ARG A 20 10.941 -1.202 3.343 1.00 0.00 C ATOM 260 O ARG A 20 11.363 -0.935 4.468 1.00 0.00 O ATOM 261 CB ARG A 20 12.467 -1.922 1.496 1.00 0.00 C ATOM 262 CG ARG A 20 13.240 -3.050 0.832 1.00 0.00 C ATOM 263 CD ARG A 20 14.532 -2.547 0.207 1.00 0.00 C ATOM 264 NE ARG A 20 14.321 -2.031 -1.143 1.00 0.00 N ATOM 265 CZ ARG A 20 15.295 -1.890 -2.036 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.539 -2.226 -1.724 1.00 0.00 N ATOM 267 NH2 ARG A 20 15.025 -1.414 -3.245 1.00 0.00 N ATOM 0 H ARG A 20 10.117 -2.830 1.043 1.00 0.00 H new ATOM 0 HA ARG A 20 12.012 -3.052 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.917 -1.371 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.173 -1.224 1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.467 -3.820 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.620 -3.515 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.956 -1.762 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.260 -3.358 0.176 1.00 0.00 H new ATOM 0 HE ARG A 20 13.375 -1.764 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.751 -2.594 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.284 -2.117 -2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.069 -1.156 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.773 -1.306 -3.930 1.00 0.00 H new ATOM 281 N GLN A 21 10.003 -0.487 2.732 1.00 0.00 N ATOM 282 CA GLN A 21 9.401 0.682 3.363 1.00 0.00 C ATOM 283 C GLN A 21 8.487 0.269 4.513 1.00 0.00 C ATOM 284 O GLN A 21 8.640 0.739 5.641 1.00 0.00 O ATOM 285 CB GLN A 21 8.612 1.494 2.335 1.00 0.00 C ATOM 286 CG GLN A 21 9.436 1.912 1.128 1.00 0.00 C ATOM 287 CD GLN A 21 10.894 2.146 1.470 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.216 2.933 2.361 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.785 1.463 0.761 1.00 0.00 N ATOM 0 H GLN A 21 9.643 -0.696 1.801 1.00 0.00 H new ATOM 0 HA GLN A 21 10.204 1.301 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.759 0.905 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.212 2.386 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.366 1.141 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.015 2.824 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.473 0.821 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.781 1.580 0.945 1.00 0.00 H new ATOM 298 N THR A 22 7.536 -0.612 4.219 1.00 0.00 N ATOM 299 CA THR A 22 6.597 -1.086 5.227 1.00 0.00 C ATOM 300 C THR A 22 7.322 -1.796 6.365 1.00 0.00 C ATOM 301 O THR A 22 6.739 -2.063 7.415 1.00 0.00 O ATOM 302 CB THR A 22 5.557 -2.046 4.619 1.00 0.00 C ATOM 303 OG1 THR A 22 6.203 -3.236 4.153 1.00 0.00 O ATOM 304 CG2 THR A 22 4.816 -1.382 3.468 1.00 0.00 C ATOM 0 H THR A 22 7.396 -1.011 3.291 1.00 0.00 H new ATOM 0 HA THR A 22 6.085 -0.207 5.619 1.00 0.00 H new ATOM 0 HB THR A 22 4.836 -2.304 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.971 -2.994 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.087 -2.079 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.302 -0.492 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.528 -1.099 2.692 1.00 0.00 H new ATOM 312 N ASP A 23 8.598 -2.099 6.148 1.00 0.00 N ATOM 313 CA ASP A 23 9.404 -2.776 7.157 1.00 0.00 C ATOM 314 C ASP A 23 9.466 -1.959 8.443 1.00 0.00 C ATOM 315 O ASP A 23 9.888 -0.803 8.436 1.00 0.00 O ATOM 316 CB ASP A 23 10.817 -3.025 6.627 1.00 0.00 C ATOM 317 CG ASP A 23 11.631 -3.916 7.545 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.026 -4.745 8.256 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.873 -3.783 7.554 1.00 0.00 O ATOM 0 H ASP A 23 9.095 -1.887 5.283 1.00 0.00 H new ATOM 0 HA ASP A 23 8.933 -3.733 7.380 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.756 -3.484 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.329 -2.071 6.504 1.00 0.00 H new ATOM 324 N GLY A 24 9.041 -2.567 9.546 1.00 0.00 N ATOM 325 CA GLY A 24 9.055 -1.880 10.824 1.00 0.00 C ATOM 326 C GLY A 24 7.700 -1.892 11.504 1.00 0.00 C ATOM 327 O GLY A 24 7.612 -2.012 12.726 1.00 0.00 O ATOM 0 H GLY A 24 8.687 -3.523 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.790 -2.350 11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.374 -0.848 10.675 1.00 0.00 H new ATOM 331 N TYR A 25 6.641 -1.766 10.712 1.00 0.00 N ATOM 332 CA TYR A 25 5.284 -1.759 11.245 1.00 0.00 C ATOM 333 C TYR A 25 4.938 -3.106 11.873 1.00 0.00 C ATOM 334 O TYR A 25 5.657 -4.089 11.694 1.00 0.00 O ATOM 335 CB TYR A 25 4.281 -1.426 10.139 1.00 0.00 C ATOM 336 CG TYR A 25 4.285 0.031 9.736 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.323 0.560 8.979 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.250 0.878 10.112 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.331 1.891 8.610 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.248 2.210 9.745 1.00 0.00 C ATOM 341 CZ TYR A 25 4.291 2.712 8.995 1.00 0.00 C ATOM 342 OH TYR A 25 4.295 4.038 8.628 1.00 0.00 O ATOM 0 H TYR A 25 6.696 -1.667 9.698 1.00 0.00 H new ATOM 0 HA TYR A 25 5.229 -0.993 12.019 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.502 -2.037 9.264 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.280 -1.699 10.474 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.137 -0.080 8.674 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.433 0.489 10.701 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.147 2.287 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.434 2.854 10.044 1.00 0.00 H new ATOM 0 HH TYR A 25 3.841 4.569 9.315 1.00 0.00 H new ATOM 352 N ALA A 26 3.832 -3.142 12.608 1.00 0.00 N ATOM 353 CA ALA A 26 3.388 -4.367 13.261 1.00 0.00 C ATOM 354 C ALA A 26 2.123 -4.911 12.605 1.00 0.00 C ATOM 355 O ALA A 26 1.176 -4.169 12.351 1.00 0.00 O ATOM 356 CB ALA A 26 3.152 -4.120 14.743 1.00 0.00 C ATOM 0 H ALA A 26 3.227 -2.336 12.766 1.00 0.00 H new ATOM 0 HA ALA A 26 4.174 -5.114 13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.821 -5.044 15.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.079 -3.785 15.208 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.387 -3.354 14.867 1.00 0.00 H new ATOM 362 N GLY A 27 2.116 -6.212 12.332 1.00 0.00 N ATOM 363 CA GLY A 27 0.963 -6.833 11.707 1.00 0.00 C ATOM 364 C GLY A 27 1.025 -6.781 10.194 1.00 0.00 C ATOM 365 O GLY A 27 0.528 -7.678 9.513 1.00 0.00 O ATOM 0 H GLY A 27 2.888 -6.847 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.895 -7.872 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.056 -6.333 12.048 1.00 0.00 H new ATOM 369 N VAL A 28 1.637 -5.726 9.664 1.00 0.00 N ATOM 370 CA VAL A 28 1.762 -5.560 8.221 1.00 0.00 C ATOM 371 C VAL A 28 2.537 -6.717 7.600 1.00 0.00 C ATOM 372 O VAL A 28 1.974 -7.535 6.874 1.00 0.00 O ATOM 373 CB VAL A 28 2.467 -4.237 7.868 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.534 -4.053 6.359 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.756 -3.063 8.524 1.00 0.00 C ATOM 0 H VAL A 28 2.054 -4.974 10.213 1.00 0.00 H new ATOM 0 HA VAL A 28 0.751 -5.544 7.815 1.00 0.00 H new ATOM 0 HB VAL A 28 3.487 -4.276 8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.035 -3.113 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.091 -4.879 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.524 -4.035 5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.268 -2.136 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.725 -3.019 8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.765 -3.191 9.606 1.00 0.00 H new ATOM 385 N ASN A 29 3.832 -6.778 7.890 1.00 0.00 N ATOM 386 CA ASN A 29 4.685 -7.836 7.360 1.00 0.00 C ATOM 387 C ASN A 29 4.267 -8.212 5.941 1.00 0.00 C ATOM 388 O ASN A 29 4.048 -9.384 5.637 1.00 0.00 O ATOM 389 CB ASN A 29 4.627 -9.068 8.264 1.00 0.00 C ATOM 390 CG ASN A 29 3.342 -9.854 8.089 1.00 0.00 C ATOM 391 OD1 ASN A 29 2.265 -9.398 8.472 1.00 0.00 O ATOM 392 ND2 ASN A 29 3.450 -11.043 7.507 1.00 0.00 N ATOM 0 H ASN A 29 4.314 -6.108 8.489 1.00 0.00 H new ATOM 0 HA ASN A 29 5.709 -7.463 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.477 -9.714 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.720 -8.757 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.620 -11.617 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.363 -11.382 7.205 1.00 0.00 H new ATOM 399 N VAL A 30 4.159 -7.208 5.076 1.00 0.00 N ATOM 400 CA VAL A 30 3.770 -7.433 3.690 1.00 0.00 C ATOM 401 C VAL A 30 4.434 -8.685 3.128 1.00 0.00 C ATOM 402 O VAL A 30 5.656 -8.743 2.986 1.00 0.00 O ATOM 403 CB VAL A 30 4.135 -6.228 2.802 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.102 -6.619 1.332 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.197 -5.062 3.074 1.00 0.00 C ATOM 0 H VAL A 30 4.336 -6.231 5.311 1.00 0.00 H new ATOM 0 HA VAL A 30 2.688 -7.566 3.683 1.00 0.00 H new ATOM 0 HB VAL A 30 5.149 -5.912 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.362 -5.755 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.819 -7.420 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.101 -6.962 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.470 -4.220 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.171 -5.362 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.277 -4.767 4.120 1.00 0.00 H new ATOM 415 N THR A 31 3.621 -9.687 2.808 1.00 0.00 N ATOM 416 CA THR A 31 4.129 -10.939 2.262 1.00 0.00 C ATOM 417 C THR A 31 3.476 -11.260 0.923 1.00 0.00 C ATOM 418 O THR A 31 3.702 -12.326 0.350 1.00 0.00 O ATOM 419 CB THR A 31 3.890 -12.112 3.231 1.00 0.00 C ATOM 420 OG1 THR A 31 4.519 -13.297 2.730 1.00 0.00 O ATOM 421 CG2 THR A 31 2.401 -12.363 3.420 1.00 0.00 C ATOM 0 H THR A 31 2.607 -9.655 2.918 1.00 0.00 H new ATOM 0 HA THR A 31 5.202 -10.809 2.118 1.00 0.00 H new ATOM 0 HB THR A 31 4.324 -11.851 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.458 -13.311 1.752 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.257 -13.196 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.930 -11.469 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.948 -12.604 2.459 1.00 0.00 H new ATOM 429 N ASP A 32 2.666 -10.331 0.427 1.00 0.00 N ATOM 430 CA ASP A 32 1.981 -10.514 -0.847 1.00 0.00 C ATOM 431 C ASP A 32 1.474 -9.181 -1.389 1.00 0.00 C ATOM 432 O ASP A 32 1.648 -8.137 -0.759 1.00 0.00 O ATOM 433 CB ASP A 32 0.814 -11.490 -0.688 1.00 0.00 C ATOM 434 CG ASP A 32 0.534 -12.270 -1.957 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.286 -13.224 -2.245 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.437 -11.926 -2.663 1.00 0.00 O ATOM 0 H ASP A 32 2.468 -9.443 0.888 1.00 0.00 H new ATOM 0 HA ASP A 32 2.696 -10.927 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.034 -12.186 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.081 -10.938 -0.400 1.00 0.00 H new ATOM 441 N LEU A 33 0.848 -9.224 -2.560 1.00 0.00 N ATOM 442 CA LEU A 33 0.317 -8.019 -3.187 1.00 0.00 C ATOM 443 C LEU A 33 -1.197 -8.110 -3.346 1.00 0.00 C ATOM 444 O LEU A 33 -1.787 -7.429 -4.186 1.00 0.00 O ATOM 445 CB LEU A 33 0.972 -7.800 -4.552 1.00 0.00 C ATOM 446 CG LEU A 33 2.485 -7.578 -4.543 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.033 -7.577 -5.961 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.828 -6.275 -3.836 1.00 0.00 C ATOM 0 H LEU A 33 0.696 -10.080 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 33 0.546 -7.172 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.756 -8.665 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.501 -6.938 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 33 2.950 -8.399 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.111 -7.418 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.819 -8.535 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.562 -6.777 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.909 -6.133 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.351 -5.443 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.470 -6.314 -2.807 1.00 0.00 H new ATOM 460 N THR A 34 -1.823 -8.954 -2.532 1.00 0.00 N ATOM 461 CA THR A 34 -3.268 -9.134 -2.581 1.00 0.00 C ATOM 462 C THR A 34 -3.890 -8.974 -1.198 1.00 0.00 C ATOM 463 O THR A 34 -4.515 -7.956 -0.902 1.00 0.00 O ATOM 464 CB THR A 34 -3.644 -10.518 -3.143 1.00 0.00 C ATOM 465 OG1 THR A 34 -3.034 -11.548 -2.357 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.203 -10.651 -4.593 1.00 0.00 C ATOM 0 H THR A 34 -1.351 -9.524 -1.830 1.00 0.00 H new ATOM 0 HA THR A 34 -3.659 -8.362 -3.244 1.00 0.00 H new ATOM 0 HB THR A 34 -4.728 -10.622 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.191 -11.823 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.479 -11.636 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.692 -9.884 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.122 -10.528 -4.657 1.00 0.00 H new ATOM 474 N MET A 35 -3.713 -9.986 -0.354 1.00 0.00 N ATOM 475 CA MET A 35 -4.255 -9.955 0.999 1.00 0.00 C ATOM 476 C MET A 35 -3.450 -9.010 1.886 1.00 0.00 C ATOM 477 O MET A 35 -4.015 -8.246 2.668 1.00 0.00 O ATOM 478 CB MET A 35 -4.257 -11.361 1.602 1.00 0.00 C ATOM 479 CG MET A 35 -5.252 -12.303 0.943 1.00 0.00 C ATOM 480 SD MET A 35 -5.109 -13.997 1.546 1.00 0.00 S ATOM 481 CE MET A 35 -6.382 -14.017 2.805 1.00 0.00 C ATOM 0 H MET A 35 -3.199 -10.837 -0.583 1.00 0.00 H new ATOM 0 HA MET A 35 -5.280 -9.589 0.945 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.257 -11.785 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.485 -11.291 2.666 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.264 -11.941 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.098 -12.291 -0.136 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.417 -15.002 3.271 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.158 -13.265 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.348 -13.797 2.350 1.00 0.00 H new ATOM 491 N SER A 36 -2.128 -9.068 1.759 1.00 0.00 N ATOM 492 CA SER A 36 -1.246 -8.220 2.552 1.00 0.00 C ATOM 493 C SER A 36 -1.766 -6.786 2.595 1.00 0.00 C ATOM 494 O SER A 36 -1.540 -6.062 3.565 1.00 0.00 O ATOM 495 CB SER A 36 0.171 -8.244 1.977 1.00 0.00 C ATOM 496 OG SER A 36 0.924 -9.314 2.522 1.00 0.00 O ATOM 0 H SER A 36 -1.644 -9.693 1.114 1.00 0.00 H new ATOM 0 HA SER A 36 -1.224 -8.611 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.125 -8.343 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.670 -7.298 2.190 1.00 0.00 H new ATOM 0 HG SER A 36 0.688 -10.147 2.064 1.00 0.00 H new ATOM 502 N TRP A 37 -2.461 -6.384 1.538 1.00 0.00 N ATOM 503 CA TRP A 37 -3.013 -5.036 1.454 1.00 0.00 C ATOM 504 C TRP A 37 -4.490 -5.028 1.833 1.00 0.00 C ATOM 505 O TRP A 37 -4.987 -4.064 2.415 1.00 0.00 O ATOM 506 CB TRP A 37 -2.833 -4.476 0.042 1.00 0.00 C ATOM 507 CG TRP A 37 -1.406 -4.463 -0.414 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.693 -5.518 -0.906 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.518 -3.339 -0.418 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.585 -5.119 -1.216 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.717 -3.787 -0.926 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.647 -1.999 -0.043 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.814 -2.940 -1.067 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.443 -1.161 -0.183 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.660 -1.633 -0.693 1.00 0.00 C ATOM 0 H TRP A 37 -2.656 -6.971 0.727 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.473 -4.404 2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.424 -5.070 -0.655 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.227 -3.460 0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.077 -6.519 -1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.316 -5.718 -1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.581 -1.625 0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.753 -3.302 -1.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.355 -0.124 0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.492 -0.952 -0.793 1.00 0.00 H new ATOM 526 N LYS A 38 -5.188 -6.109 1.500 1.00 0.00 N ATOM 527 CA LYS A 38 -6.608 -6.228 1.807 1.00 0.00 C ATOM 528 C LYS A 38 -6.935 -5.563 3.140 1.00 0.00 C ATOM 529 O LYS A 38 -7.818 -4.709 3.219 1.00 0.00 O ATOM 530 CB LYS A 38 -7.021 -7.701 1.845 1.00 0.00 C ATOM 531 CG LYS A 38 -7.462 -8.244 0.497 1.00 0.00 C ATOM 532 CD LYS A 38 -8.241 -9.541 0.646 1.00 0.00 C ATOM 533 CE LYS A 38 -9.599 -9.305 1.288 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.535 -9.403 2.773 1.00 0.00 N ATOM 0 H LYS A 38 -4.792 -6.916 1.017 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.167 -5.720 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.183 -8.295 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.834 -7.823 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.080 -7.503 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.588 -8.414 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.375 -10.000 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.668 -10.243 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.968 -8.319 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.313 -10.035 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.229 -10.103 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.580 -9.698 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.751 -8.476 3.192 1.00 0.00 H new ATOM 548 N SER A 39 -6.215 -5.958 4.185 1.00 0.00 N ATOM 549 CA SER A 39 -6.430 -5.401 5.516 1.00 0.00 C ATOM 550 C SER A 39 -6.465 -3.877 5.468 1.00 0.00 C ATOM 551 O SER A 39 -7.357 -3.247 6.034 1.00 0.00 O ATOM 552 CB SER A 39 -5.329 -5.867 6.471 1.00 0.00 C ATOM 553 OG SER A 39 -5.634 -5.517 7.810 1.00 0.00 O ATOM 0 H SER A 39 -5.478 -6.661 4.136 1.00 0.00 H new ATOM 0 HA SER A 39 -7.393 -5.758 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.208 -6.947 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.379 -5.418 6.182 1.00 0.00 H new ATOM 0 HG SER A 39 -4.916 -5.827 8.401 1.00 0.00 H new ATOM 559 N GLY A 40 -5.486 -3.289 4.786 1.00 0.00 N ATOM 560 CA GLY A 40 -5.422 -1.844 4.676 1.00 0.00 C ATOM 561 C GLY A 40 -4.206 -1.263 5.370 1.00 0.00 C ATOM 562 O GLY A 40 -3.607 -0.301 4.887 1.00 0.00 O ATOM 0 H GLY A 40 -4.736 -3.789 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.404 -1.563 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.324 -1.410 5.106 1.00 0.00 H new ATOM 566 N LEU A 41 -3.840 -1.846 6.506 1.00 0.00 N ATOM 567 CA LEU A 41 -2.688 -1.379 7.269 1.00 0.00 C ATOM 568 C LEU A 41 -1.496 -1.121 6.353 1.00 0.00 C ATOM 569 O LEU A 41 -0.824 -0.096 6.464 1.00 0.00 O ATOM 570 CB LEU A 41 -2.310 -2.404 8.339 1.00 0.00 C ATOM 571 CG LEU A 41 -3.387 -2.716 9.379 1.00 0.00 C ATOM 572 CD1 LEU A 41 -2.943 -3.857 10.282 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.709 -1.477 10.202 1.00 0.00 C ATOM 0 H LEU A 41 -4.324 -2.643 6.919 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.961 -0.441 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.033 -3.334 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.423 -2.045 8.860 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.292 -3.025 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.722 -4.065 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.764 -4.748 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.025 -3.577 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.477 -1.718 10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.809 -1.137 10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.071 -0.687 9.544 1.00 0.00 H new ATOM 585 N ALA A 42 -1.241 -2.058 5.445 1.00 0.00 N ATOM 586 CA ALA A 42 -0.133 -1.930 4.506 1.00 0.00 C ATOM 587 C ALA A 42 -0.153 -0.571 3.814 1.00 0.00 C ATOM 588 O ALA A 42 0.745 0.249 4.007 1.00 0.00 O ATOM 589 CB ALA A 42 -0.182 -3.050 3.477 1.00 0.00 C ATOM 0 H ALA A 42 -1.786 -2.913 5.340 1.00 0.00 H new ATOM 0 HA ALA A 42 0.798 -2.008 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.651 -2.942 2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.110 -4.013 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.122 -2.998 2.928 1.00 0.00 H new ATOM 595 N LEU A 43 -1.183 -0.339 3.008 1.00 0.00 N ATOM 596 CA LEU A 43 -1.320 0.921 2.286 1.00 0.00 C ATOM 597 C LEU A 43 -1.175 2.109 3.231 1.00 0.00 C ATOM 598 O LEU A 43 -0.439 3.055 2.947 1.00 0.00 O ATOM 599 CB LEU A 43 -2.675 0.981 1.577 1.00 0.00 C ATOM 600 CG LEU A 43 -2.893 2.174 0.646 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.756 2.283 -0.358 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.230 2.054 -0.070 1.00 0.00 C ATOM 0 H LEU A 43 -1.935 -1.007 2.838 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.525 0.973 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.800 0.066 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.459 0.989 2.334 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.906 3.083 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.929 3.138 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.813 2.417 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.710 1.373 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.368 2.912 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.246 1.137 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.035 2.027 0.664 1.00 0.00 H new ATOM 614 N CYS A 44 -1.879 2.052 4.356 1.00 0.00 N ATOM 615 CA CYS A 44 -1.827 3.123 5.345 1.00 0.00 C ATOM 616 C CYS A 44 -0.398 3.353 5.823 1.00 0.00 C ATOM 617 O CYS A 44 0.021 4.491 6.036 1.00 0.00 O ATOM 618 CB CYS A 44 -2.728 2.790 6.535 1.00 0.00 C ATOM 619 SG CYS A 44 -4.452 2.475 6.091 1.00 0.00 S ATOM 0 H CYS A 44 -2.492 1.276 4.606 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.184 4.038 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.329 1.913 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.692 3.615 7.246 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.537 1.345 5.454 1.00 0.00 H new ATOM 625 N ALA A 45 0.347 2.265 5.992 1.00 0.00 N ATOM 626 CA ALA A 45 1.730 2.349 6.444 1.00 0.00 C ATOM 627 C ALA A 45 2.614 3.008 5.391 1.00 0.00 C ATOM 628 O ALA A 45 3.719 3.461 5.689 1.00 0.00 O ATOM 629 CB ALA A 45 2.258 0.964 6.787 1.00 0.00 C ATOM 0 H ALA A 45 0.016 1.315 5.823 1.00 0.00 H new ATOM 0 HA ALA A 45 1.756 2.968 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.292 1.042 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.650 0.529 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.211 0.327 5.903 1.00 0.00 H new ATOM 635 N ILE A 46 2.120 3.058 4.158 1.00 0.00 N ATOM 636 CA ILE A 46 2.865 3.663 3.061 1.00 0.00 C ATOM 637 C ILE A 46 2.742 5.183 3.085 1.00 0.00 C ATOM 638 O ILE A 46 3.714 5.898 2.838 1.00 0.00 O ATOM 639 CB ILE A 46 2.380 3.141 1.696 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.554 1.623 1.614 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.135 3.828 0.567 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.000 1.181 1.593 1.00 0.00 C ATOM 0 H ILE A 46 1.207 2.687 3.894 1.00 0.00 H new ATOM 0 HA ILE A 46 3.910 3.384 3.197 1.00 0.00 H new ATOM 0 HB ILE A 46 1.320 3.372 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.054 1.162 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.057 1.256 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.781 3.448 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.964 4.903 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.201 3.625 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.047 0.094 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.500 1.613 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.496 1.517 2.503 1.00 0.00 H new ATOM 654 N ILE A 47 1.543 5.669 3.384 1.00 0.00 N ATOM 655 CA ILE A 47 1.294 7.104 3.443 1.00 0.00 C ATOM 656 C ILE A 47 1.895 7.715 4.704 1.00 0.00 C ATOM 657 O ILE A 47 2.469 8.804 4.667 1.00 0.00 O ATOM 658 CB ILE A 47 -0.214 7.416 3.404 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.831 6.895 2.104 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.449 8.912 3.546 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.338 6.781 2.154 1.00 0.00 C ATOM 0 H ILE A 47 0.728 5.091 3.589 1.00 0.00 H new ATOM 0 HA ILE A 47 1.771 7.543 2.566 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.697 6.911 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.552 7.560 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.408 5.916 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.519 9.117 3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.040 9.256 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.043 9.437 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.706 6.406 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.625 6.093 2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.771 7.762 2.350 1.00 0.00 H new ATOM 673 N HIS A 48 1.762 7.006 5.821 1.00 0.00 N ATOM 674 CA HIS A 48 2.295 7.477 7.094 1.00 0.00 C ATOM 675 C HIS A 48 3.818 7.398 7.108 1.00 0.00 C ATOM 676 O HIS A 48 4.494 8.337 7.532 1.00 0.00 O ATOM 677 CB HIS A 48 1.719 6.654 8.247 1.00 0.00 C ATOM 678 CG HIS A 48 2.403 6.899 9.557 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.660 6.413 9.852 1.00 0.00 N ATOM 680 CD2 HIS A 48 2.000 7.584 10.652 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.999 6.787 11.073 1.00 0.00 C ATOM 682 NE2 HIS A 48 3.009 7.499 11.580 1.00 0.00 N ATOM 0 H HIS A 48 1.290 6.103 5.870 1.00 0.00 H new ATOM 0 HA HIS A 48 2.002 8.519 7.219 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.658 6.883 8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.794 5.595 8.000 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.060 8.101 10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.927 6.551 11.571 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.996 7.918 12.510 1.00 0.00 H new ATOM 691 N ARG A 49 4.352 6.274 6.643 1.00 0.00 N ATOM 692 CA ARG A 49 5.796 6.072 6.605 1.00 0.00 C ATOM 693 C ARG A 49 6.515 7.364 6.226 1.00 0.00 C ATOM 694 O ARG A 49 7.497 7.749 6.861 1.00 0.00 O ATOM 695 CB ARG A 49 6.151 4.967 5.608 1.00 0.00 C ATOM 696 CG ARG A 49 7.635 4.890 5.288 1.00 0.00 C ATOM 697 CD ARG A 49 8.443 4.438 6.495 1.00 0.00 C ATOM 698 NE ARG A 49 9.880 4.572 6.273 1.00 0.00 N ATOM 699 CZ ARG A 49 10.799 4.140 7.129 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.433 3.549 8.258 1.00 0.00 N ATOM 701 NH2 ARG A 49 12.088 4.299 6.856 1.00 0.00 N ATOM 0 H ARG A 49 3.807 5.489 6.287 1.00 0.00 H new ATOM 0 HA ARG A 49 6.123 5.773 7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.824 4.008 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.597 5.131 4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.795 4.197 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.988 5.867 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.154 5.027 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.206 3.398 6.721 1.00 0.00 H new ATOM 0 HE ARG A 49 10.195 5.022 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.443 3.425 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.141 3.218 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.373 4.753 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.793 3.967 7.514 1.00 0.00 H new ATOM 715 N TYR A 50 6.019 8.028 5.188 1.00 0.00 N ATOM 716 CA TYR A 50 6.616 9.274 4.722 1.00 0.00 C ATOM 717 C TYR A 50 5.922 10.479 5.352 1.00 0.00 C ATOM 718 O TYR A 50 6.574 11.365 5.906 1.00 0.00 O ATOM 719 CB TYR A 50 6.535 9.365 3.198 1.00 0.00 C ATOM 720 CG TYR A 50 7.455 8.400 2.484 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.319 7.027 2.652 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.460 8.861 1.643 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.158 6.142 2.003 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.303 7.982 0.989 1.00 0.00 C ATOM 725 CZ TYR A 50 9.147 6.624 1.172 1.00 0.00 C ATOM 726 OH TYR A 50 9.985 5.746 0.523 1.00 0.00 O ATOM 0 H TYR A 50 5.205 7.724 4.653 1.00 0.00 H new ATOM 0 HA TYR A 50 7.663 9.280 5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.508 9.174 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.779 10.382 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.544 6.646 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.585 9.924 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.040 5.078 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.079 8.357 0.338 1.00 0.00 H new ATOM 0 HH TYR A 50 9.480 4.951 0.253 1.00 0.00 H new ATOM 736 N ARG A 51 4.597 10.503 5.263 1.00 0.00 N ATOM 737 CA ARG A 51 3.813 11.598 5.823 1.00 0.00 C ATOM 738 C ARG A 51 2.787 11.076 6.824 1.00 0.00 C ATOM 739 O ARG A 51 1.685 10.664 6.462 1.00 0.00 O ATOM 740 CB ARG A 51 3.106 12.370 4.707 1.00 0.00 C ATOM 741 CG ARG A 51 4.024 12.759 3.559 1.00 0.00 C ATOM 742 CD ARG A 51 3.580 14.059 2.907 1.00 0.00 C ATOM 743 NE ARG A 51 4.700 14.785 2.315 1.00 0.00 N ATOM 744 CZ ARG A 51 5.339 14.385 1.221 1.00 0.00 C ATOM 745 NH1 ARG A 51 4.969 13.271 0.603 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.349 15.099 0.743 1.00 0.00 N ATOM 0 H ARG A 51 4.043 9.777 4.809 1.00 0.00 H new ATOM 0 HA ARG A 51 4.495 12.270 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.289 11.762 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.661 13.272 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.044 12.865 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.035 11.963 2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.840 13.844 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.092 14.689 3.651 1.00 0.00 H new ATOM 0 HE ARG A 51 5.009 15.646 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.192 12.719 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.461 12.966 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.636 15.956 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.839 14.791 -0.097 1.00 0.00 H new ATOM 760 N PRO A 52 3.157 11.092 8.113 1.00 0.00 N ATOM 761 CA PRO A 52 2.283 10.623 9.193 1.00 0.00 C ATOM 762 C PRO A 52 1.094 11.551 9.420 1.00 0.00 C ATOM 763 O PRO A 52 0.098 11.161 10.030 1.00 0.00 O ATOM 764 CB PRO A 52 3.201 10.622 10.417 1.00 0.00 C ATOM 765 CG PRO A 52 4.251 11.631 10.105 1.00 0.00 C ATOM 766 CD PRO A 52 4.456 11.569 8.616 1.00 0.00 C ATOM 0 HA PRO A 52 1.846 9.650 8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.654 10.887 11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.636 9.637 10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.938 12.628 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.176 11.408 10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.712 12.545 8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.265 10.888 8.350 1.00 0.00 H new ATOM 774 N ASP A 53 1.205 12.779 8.926 1.00 0.00 N ATOM 775 CA ASP A 53 0.138 13.762 9.075 1.00 0.00 C ATOM 776 C ASP A 53 -1.079 13.373 8.242 1.00 0.00 C ATOM 777 O ASP A 53 -2.201 13.323 8.749 1.00 0.00 O ATOM 778 CB ASP A 53 0.632 15.149 8.660 1.00 0.00 C ATOM 779 CG ASP A 53 0.429 15.418 7.181 1.00 0.00 C ATOM 780 OD1 ASP A 53 1.061 14.722 6.359 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.362 16.324 6.847 1.00 0.00 O ATOM 0 H ASP A 53 2.023 13.118 8.419 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.155 13.788 10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.106 15.907 9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.691 15.241 8.901 1.00 0.00 H new ATOM 786 N LEU A 54 -0.852 13.098 6.963 1.00 0.00 N ATOM 787 CA LEU A 54 -1.930 12.713 6.059 1.00 0.00 C ATOM 788 C LEU A 54 -2.802 11.628 6.682 1.00 0.00 C ATOM 789 O LEU A 54 -3.999 11.824 6.892 1.00 0.00 O ATOM 790 CB LEU A 54 -1.357 12.221 4.729 1.00 0.00 C ATOM 791 CG LEU A 54 -0.213 13.050 4.144 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.134 12.568 2.744 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.579 14.527 4.126 1.00 0.00 C ATOM 0 H LEU A 54 0.070 13.134 6.528 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.549 13.592 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.006 11.198 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.165 12.187 3.998 1.00 0.00 H new ATOM 0 HG LEU A 54 0.664 12.921 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.950 13.170 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.440 11.523 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.739 12.666 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.247 15.101 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.470 14.674 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.776 14.865 5.143 1.00 0.00 H new ATOM 805 N ILE A 55 -2.193 10.484 6.977 1.00 0.00 N ATOM 806 CA ILE A 55 -2.913 9.369 7.580 1.00 0.00 C ATOM 807 C ILE A 55 -2.382 9.062 8.976 1.00 0.00 C ATOM 808 O ILE A 55 -1.211 9.298 9.272 1.00 0.00 O ATOM 809 CB ILE A 55 -2.813 8.100 6.714 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.008 7.182 6.975 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.507 7.371 6.992 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.350 6.287 5.804 1.00 0.00 C ATOM 0 H ILE A 55 -1.203 10.305 6.808 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.958 9.670 7.650 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.827 8.393 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.796 6.562 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.877 7.792 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.451 6.476 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.668 8.027 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.465 7.087 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.207 5.664 6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.594 6.900 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.496 5.651 5.570 1.00 0.00 H new ATOM 824 N ASP A 56 -3.251 8.533 9.830 1.00 0.00 N ATOM 825 CA ASP A 56 -2.869 8.190 11.195 1.00 0.00 C ATOM 826 C ASP A 56 -2.998 6.688 11.434 1.00 0.00 C ATOM 827 O ASP A 56 -4.105 6.159 11.541 1.00 0.00 O ATOM 828 CB ASP A 56 -3.735 8.955 12.197 1.00 0.00 C ATOM 829 CG ASP A 56 -3.148 8.945 13.595 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.399 8.000 13.917 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.439 9.883 14.367 1.00 0.00 O ATOM 0 H ASP A 56 -4.225 8.332 9.601 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.826 8.474 11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.849 9.986 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.732 8.515 12.221 1.00 0.00 H new ATOM 836 N PHE A 57 -1.860 6.008 11.516 1.00 0.00 N ATOM 837 CA PHE A 57 -1.845 4.567 11.741 1.00 0.00 C ATOM 838 C PHE A 57 -2.188 4.239 13.191 1.00 0.00 C ATOM 839 O PHE A 57 -3.034 3.387 13.463 1.00 0.00 O ATOM 840 CB PHE A 57 -0.474 3.988 11.385 1.00 0.00 C ATOM 841 CG PHE A 57 -0.447 2.486 11.357 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.797 1.795 10.208 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.072 1.766 12.480 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.772 0.414 10.179 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.045 0.384 12.456 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.397 -0.293 11.304 1.00 0.00 C ATOM 0 H PHE A 57 -0.936 6.431 11.430 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.600 4.116 11.097 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.170 4.367 10.409 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.261 4.343 12.108 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.093 2.342 9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.202 2.290 13.384 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.046 -0.112 9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.251 -0.166 13.337 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.379 -1.373 11.284 1.00 0.00 H new ATOM 856 N ASP A 58 -1.524 4.920 14.118 1.00 0.00 N ATOM 857 CA ASP A 58 -1.757 4.703 15.541 1.00 0.00 C ATOM 858 C ASP A 58 -3.251 4.618 15.840 1.00 0.00 C ATOM 859 O ASP A 58 -3.686 3.801 16.651 1.00 0.00 O ATOM 860 CB ASP A 58 -1.123 5.827 16.361 1.00 0.00 C ATOM 861 CG ASP A 58 -0.702 5.369 17.744 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.373 4.745 17.860 1.00 0.00 O ATOM 863 OD2 ASP A 58 -1.448 5.634 18.710 1.00 0.00 O ATOM 0 H ASP A 58 -0.820 5.628 13.909 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.294 3.756 15.820 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.254 6.214 15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.832 6.649 16.454 1.00 0.00 H new ATOM 868 N SER A 59 -4.030 5.468 15.180 1.00 0.00 N ATOM 869 CA SER A 59 -5.475 5.492 15.378 1.00 0.00 C ATOM 870 C SER A 59 -6.133 4.278 14.729 1.00 0.00 C ATOM 871 O SER A 59 -6.978 3.618 15.335 1.00 0.00 O ATOM 872 CB SER A 59 -6.069 6.778 14.801 1.00 0.00 C ATOM 873 OG SER A 59 -7.464 6.847 15.038 1.00 0.00 O ATOM 0 H SER A 59 -3.686 6.149 14.504 1.00 0.00 H new ATOM 0 HA SER A 59 -5.670 5.459 16.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.578 7.642 15.249 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.877 6.822 13.729 1.00 0.00 H new ATOM 0 HG SER A 59 -7.819 7.679 14.661 1.00 0.00 H new ATOM 879 N LEU A 60 -5.740 3.991 13.493 1.00 0.00 N ATOM 880 CA LEU A 60 -6.291 2.856 12.760 1.00 0.00 C ATOM 881 C LEU A 60 -6.102 1.560 13.541 1.00 0.00 C ATOM 882 O LEU A 60 -5.294 1.493 14.467 1.00 0.00 O ATOM 883 CB LEU A 60 -5.626 2.740 11.387 1.00 0.00 C ATOM 884 CG LEU A 60 -5.912 3.875 10.404 1.00 0.00 C ATOM 885 CD1 LEU A 60 -4.945 3.823 9.232 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.351 3.807 9.914 1.00 0.00 C ATOM 0 H LEU A 60 -5.043 4.528 12.977 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.360 3.025 12.626 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.548 2.675 11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.943 1.802 10.930 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.771 4.823 10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.164 4.639 8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.923 3.922 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.053 2.871 8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.536 4.623 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.520 2.854 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.029 3.895 10.763 1.00 0.00 H new ATOM 898 N ASP A 61 -6.851 0.531 13.159 1.00 0.00 N ATOM 899 CA ASP A 61 -6.764 -0.765 13.821 1.00 0.00 C ATOM 900 C ASP A 61 -6.688 -1.894 12.798 1.00 0.00 C ATOM 901 O ASP A 61 -7.126 -1.741 11.658 1.00 0.00 O ATOM 902 CB ASP A 61 -7.969 -0.974 14.740 1.00 0.00 C ATOM 903 CG ASP A 61 -7.649 -1.872 15.919 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.630 -1.622 16.596 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.419 -2.824 16.166 1.00 0.00 O ATOM 0 H ASP A 61 -7.525 0.570 12.394 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.853 -0.779 14.419 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.315 -0.007 15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.788 -1.409 14.167 1.00 0.00 H new ATOM 910 N GLU A 62 -6.127 -3.025 13.213 1.00 0.00 N ATOM 911 CA GLU A 62 -5.991 -4.179 12.331 1.00 0.00 C ATOM 912 C GLU A 62 -7.358 -4.761 11.982 1.00 0.00 C ATOM 913 O GLU A 62 -7.624 -5.097 10.829 1.00 0.00 O ATOM 914 CB GLU A 62 -5.120 -5.252 12.988 1.00 0.00 C ATOM 915 CG GLU A 62 -5.696 -5.791 14.287 1.00 0.00 C ATOM 916 CD GLU A 62 -4.628 -6.330 15.219 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.176 -7.474 15.005 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.244 -5.607 16.162 1.00 0.00 O ATOM 0 H GLU A 62 -5.759 -3.167 14.154 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.511 -3.846 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.986 -6.078 12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.131 -4.836 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.247 -4.998 14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.410 -6.583 14.062 1.00 0.00 H new ATOM 925 N GLN A 63 -8.219 -4.876 12.988 1.00 0.00 N ATOM 926 CA GLN A 63 -9.558 -5.418 12.788 1.00 0.00 C ATOM 927 C GLN A 63 -10.277 -4.690 11.657 1.00 0.00 C ATOM 928 O GLN A 63 -10.907 -5.315 10.805 1.00 0.00 O ATOM 929 CB GLN A 63 -10.373 -5.311 14.078 1.00 0.00 C ATOM 930 CG GLN A 63 -9.791 -6.111 15.233 1.00 0.00 C ATOM 931 CD GLN A 63 -10.836 -6.496 16.261 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.943 -5.957 16.270 1.00 0.00 O ATOM 933 NE2 GLN A 63 -10.490 -7.435 17.134 1.00 0.00 N ATOM 0 H GLN A 63 -8.014 -4.601 13.949 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.460 -6.469 12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.440 -4.263 14.370 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.390 -5.654 13.885 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.320 -7.014 14.844 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.009 -5.526 15.717 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.562 -7.855 17.090 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.153 -7.736 17.848 1.00 0.00 H new ATOM 942 N ASN A 64 -10.178 -3.365 11.656 1.00 0.00 N ATOM 943 CA ASN A 64 -10.820 -2.551 10.630 1.00 0.00 C ATOM 944 C ASN A 64 -10.157 -2.764 9.273 1.00 0.00 C ATOM 945 O ASN A 64 -8.987 -2.431 9.083 1.00 0.00 O ATOM 946 CB ASN A 64 -10.761 -1.071 11.012 1.00 0.00 C ATOM 947 CG ASN A 64 -11.190 -0.827 12.446 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.950 -1.607 13.020 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.704 0.261 13.032 1.00 0.00 N ATOM 0 H ASN A 64 -9.659 -2.832 12.354 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.863 -2.859 10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.745 -0.703 10.872 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.403 -0.499 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.958 0.478 13.996 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.077 0.880 12.518 1.00 0.00 H new ATOM 956 N VAL A 65 -10.912 -3.321 8.331 1.00 0.00 N ATOM 957 CA VAL A 65 -10.399 -3.577 6.991 1.00 0.00 C ATOM 958 C VAL A 65 -10.947 -2.566 5.990 1.00 0.00 C ATOM 959 O VAL A 65 -10.199 -1.770 5.424 1.00 0.00 O ATOM 960 CB VAL A 65 -10.754 -4.998 6.516 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.076 -5.303 5.189 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.368 -6.024 7.570 1.00 0.00 C ATOM 0 H VAL A 65 -11.882 -3.604 8.472 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.315 -3.480 7.044 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.832 -5.053 6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.339 -6.311 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.408 -4.586 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.995 -5.230 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.626 -7.023 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.295 -5.970 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.906 -5.816 8.495 1.00 0.00 H new ATOM 972 N GLU A 66 -12.259 -2.603 5.778 1.00 0.00 N ATOM 973 CA GLU A 66 -12.908 -1.690 4.844 1.00 0.00 C ATOM 974 C GLU A 66 -12.549 -0.241 5.162 1.00 0.00 C ATOM 975 O GLU A 66 -12.232 0.543 4.268 1.00 0.00 O ATOM 976 CB GLU A 66 -14.426 -1.873 4.889 1.00 0.00 C ATOM 977 CG GLU A 66 -15.189 -0.823 4.099 1.00 0.00 C ATOM 978 CD GLU A 66 -16.653 -0.748 4.490 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.310 -1.809 4.534 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.140 0.372 4.751 1.00 0.00 O ATOM 0 H GLU A 66 -12.893 -3.255 6.240 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.551 -1.923 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.676 -2.860 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.756 -1.845 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.725 0.151 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.112 -1.047 3.035 1.00 0.00 H new ATOM 987 N LYS A 67 -12.602 0.107 6.444 1.00 0.00 N ATOM 988 CA LYS A 67 -12.283 1.460 6.883 1.00 0.00 C ATOM 989 C LYS A 67 -10.885 1.865 6.426 1.00 0.00 C ATOM 990 O LYS A 67 -10.727 2.766 5.604 1.00 0.00 O ATOM 991 CB LYS A 67 -12.382 1.561 8.407 1.00 0.00 C ATOM 992 CG LYS A 67 -11.945 2.907 8.957 1.00 0.00 C ATOM 993 CD LYS A 67 -12.666 3.241 10.252 1.00 0.00 C ATOM 994 CE LYS A 67 -12.208 2.345 11.392 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.225 2.263 12.477 1.00 0.00 N ATOM 0 H LYS A 67 -12.863 -0.530 7.197 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.005 2.141 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.412 1.372 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.769 0.779 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.869 2.898 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.142 3.684 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.485 4.284 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.741 3.130 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.005 1.345 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.272 2.726 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.875 1.643 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.401 3.214 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.111 1.875 12.094 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.873 1.191 6.964 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.488 1.480 6.611 1.00 0.00 C ATOM 1011 C ASN A 68 -8.361 1.799 5.124 1.00 0.00 C ATOM 1012 O ASN A 68 -7.691 2.756 4.740 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.591 0.293 6.967 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.047 0.383 8.380 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.987 0.964 8.612 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.772 -0.193 9.331 1.00 0.00 N ATOM 0 H ASN A 68 -9.987 0.441 7.646 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.168 2.353 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.156 -0.632 6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.760 0.245 6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.456 -0.165 10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.645 -0.664 9.092 1.00 0.00 H new ATOM 1023 N ASN A 69 -9.011 0.991 4.293 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.972 1.187 2.848 1.00 0.00 C ATOM 1025 C ASN A 69 -9.712 2.461 2.452 1.00 0.00 C ATOM 1026 O ASN A 69 -9.120 3.388 1.900 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.586 -0.017 2.132 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.669 -1.225 2.142 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.627 -1.232 1.486 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.055 -2.254 2.887 1.00 0.00 N ATOM 0 H ASN A 69 -9.571 0.194 4.595 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.929 1.286 2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.531 -0.277 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.814 0.254 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.480 -3.095 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.927 -2.203 3.414 1.00 0.00 H new ATOM 1037 N GLN A 70 -11.009 2.499 2.739 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.830 3.659 2.412 1.00 0.00 C ATOM 1039 C GLN A 70 -11.081 4.955 2.702 1.00 0.00 C ATOM 1040 O GLN A 70 -11.162 5.916 1.936 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.139 3.623 3.204 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.025 4.836 2.969 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.601 4.875 1.568 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.754 5.164 0.587 1.00 0.00 O flip ATOM 1045 NE2 GLN A 70 -15.795 4.649 1.368 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.514 1.740 3.197 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.057 3.624 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.692 2.722 2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.909 3.552 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.840 4.832 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.447 5.743 3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.411 4.431 2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.168 4.680 0.419 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.352 4.975 3.813 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.588 6.154 4.205 1.00 0.00 C ATOM 1056 C LEU A 71 -8.469 6.434 3.207 1.00 0.00 C ATOM 1057 O LEU A 71 -8.478 7.456 2.521 1.00 0.00 O ATOM 1058 CB LEU A 71 -9.002 5.964 5.605 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.280 7.173 6.201 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.196 8.387 6.217 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.783 6.859 7.604 1.00 0.00 C ATOM 0 H LEU A 71 -10.274 4.188 4.458 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.265 7.009 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.810 5.680 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.303 5.128 5.574 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.418 7.402 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.665 9.238 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.502 8.625 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.078 8.170 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.272 7.731 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.630 6.603 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.091 6.018 7.565 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.508 5.519 3.131 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.385 5.666 2.214 1.00 0.00 C ATOM 1075 C ALA A 72 -6.856 6.123 0.837 1.00 0.00 C ATOM 1076 O ALA A 72 -6.345 7.099 0.288 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.619 4.356 2.104 1.00 0.00 C ATOM 0 H ALA A 72 -7.485 4.668 3.693 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.720 6.431 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.783 4.480 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.241 4.072 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.283 3.576 1.731 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.832 5.410 0.285 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.371 5.742 -1.029 1.00 0.00 C ATOM 1085 C PHE A 73 -8.784 7.209 -1.094 1.00 0.00 C ATOM 1086 O PHE A 73 -8.763 7.825 -2.159 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.570 4.848 -1.353 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.193 3.425 -1.653 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.137 3.139 -2.502 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.896 2.374 -1.086 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.789 1.831 -2.781 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.552 1.064 -1.360 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.497 0.792 -2.208 1.00 0.00 C ATOM 0 H PHE A 73 -8.266 4.599 0.727 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.588 5.571 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.262 4.862 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.102 5.263 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.579 3.947 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.722 2.581 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.964 1.621 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.108 0.254 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.226 -0.231 -2.423 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.160 7.762 0.054 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.578 9.157 0.130 1.00 0.00 C ATOM 1105 C ASP A 74 -8.379 10.072 0.362 1.00 0.00 C ATOM 1106 O ASP A 74 -8.108 10.971 -0.435 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.602 9.345 1.250 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.578 10.468 0.960 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.142 11.510 0.427 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.778 10.305 1.265 1.00 0.00 O ATOM 0 H ASP A 74 -9.184 7.266 0.945 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.038 9.424 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.154 8.416 1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.080 9.553 2.184 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.665 9.837 1.458 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.496 10.639 1.794 1.00 0.00 C ATOM 1117 C ILE A 75 -5.512 10.692 0.630 1.00 0.00 C ATOM 1118 O ILE A 75 -5.085 11.768 0.214 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.774 10.088 3.038 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.722 10.067 4.238 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.539 10.922 3.346 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.117 11.445 4.721 1.00 0.00 C ATOM 0 H ILE A 75 -7.876 9.098 2.128 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.855 11.646 2.009 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.457 9.066 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.622 9.513 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.247 9.526 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.039 10.520 4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.857 10.890 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.835 11.954 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.790 11.353 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.225 11.995 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.621 11.982 3.917 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.159 9.522 0.108 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.229 9.435 -1.011 1.00 0.00 C ATOM 1136 C ALA A 76 -4.609 10.413 -2.118 1.00 0.00 C ATOM 1137 O ALA A 76 -3.897 11.384 -2.372 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.185 8.014 -1.551 1.00 0.00 C ATOM 0 H ALA A 76 -5.503 8.622 0.442 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.237 9.705 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.487 7.964 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.858 7.335 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.179 7.723 -1.891 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.734 10.148 -2.774 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.207 11.005 -3.856 1.00 0.00 C ATOM 1146 C GLU A 77 -6.357 12.447 -3.381 1.00 0.00 C ATOM 1147 O GLU A 77 -6.137 13.390 -4.142 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.543 10.492 -4.396 1.00 0.00 C ATOM 1149 CG GLU A 77 -8.030 11.240 -5.625 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.538 11.185 -5.782 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.051 10.133 -6.217 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -10.204 12.194 -5.470 1.00 0.00 O ATOM 0 H GLU A 77 -6.335 9.348 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.467 10.979 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.445 9.434 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.296 10.569 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.713 12.281 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.560 10.817 -6.513 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.735 12.611 -2.118 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.916 13.938 -1.539 1.00 0.00 C ATOM 1161 C LYS A 78 -5.620 14.741 -1.605 1.00 0.00 C ATOM 1162 O LYS A 78 -5.617 15.894 -2.032 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.384 13.823 -0.086 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.895 13.768 0.063 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.504 15.159 0.086 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.777 15.197 0.917 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.486 15.300 2.374 1.00 0.00 N ATOM 0 H LYS A 78 -6.922 11.842 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.677 14.460 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.951 12.926 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.002 14.674 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.322 13.196 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.152 13.242 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.782 15.867 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.724 15.478 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.387 16.046 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.362 14.297 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.380 15.323 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.925 14.477 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.950 16.171 2.560 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.523 14.122 -1.179 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.222 14.780 -1.191 1.00 0.00 C ATOM 1183 C GLU A 79 -2.336 14.215 -2.298 1.00 0.00 C ATOM 1184 O GLU A 79 -1.961 14.924 -3.232 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.531 14.617 0.164 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.353 15.136 1.332 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.146 16.618 1.578 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.056 17.128 1.244 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.073 17.267 2.105 1.00 0.00 O ATOM 0 H GLU A 79 -4.510 13.167 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.382 15.841 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.311 13.562 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.576 15.142 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.409 14.947 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.088 14.582 2.232 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.006 12.933 -2.185 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.164 12.271 -3.175 1.00 0.00 C ATOM 1198 C LEU A 80 -1.717 12.470 -4.583 1.00 0.00 C ATOM 1199 O LEU A 80 -0.962 12.609 -5.544 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.056 10.777 -2.864 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.722 10.415 -1.417 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.625 8.906 -1.253 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.575 11.084 -0.985 1.00 0.00 C ATOM 0 H LEU A 80 -2.308 12.332 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.171 12.719 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.001 10.302 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.292 10.346 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.526 10.779 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.387 8.667 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.578 8.449 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.159 8.519 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.797 10.815 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.388 10.751 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.470 12.166 -1.063 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.042 12.485 -4.695 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.674 12.670 -5.988 1.00 0.00 C ATOM 1217 C GLY A 81 -3.908 11.360 -6.713 1.00 0.00 C ATOM 1218 O GLY A 81 -4.563 11.327 -7.755 1.00 0.00 O ATOM 0 H GLY A 81 -3.688 12.372 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.627 13.182 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.049 13.316 -6.605 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.368 10.277 -6.163 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.521 8.958 -6.764 1.00 0.00 C ATOM 1224 C ILE A 82 -4.967 8.480 -6.681 1.00 0.00 C ATOM 1225 O ILE A 82 -5.461 8.149 -5.603 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.609 7.920 -6.084 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.139 8.246 -6.354 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.945 6.519 -6.573 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.178 7.474 -5.478 1.00 0.00 C ATOM 0 H ILE A 82 -2.821 10.287 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.232 9.053 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.778 7.959 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.915 8.035 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.978 9.313 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.292 5.796 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.984 6.290 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.800 6.466 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.846 7.756 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.375 7.704 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.311 6.405 -5.646 1.00 0.00 H new ATOM 1241 N SER A 83 -5.640 8.445 -7.827 1.00 0.00 N ATOM 1242 CA SER A 83 -7.030 8.009 -7.884 1.00 0.00 C ATOM 1243 C SER A 83 -7.157 6.544 -7.477 1.00 0.00 C ATOM 1244 O SER A 83 -6.412 5.679 -7.937 1.00 0.00 O ATOM 1245 CB SER A 83 -7.592 8.210 -9.293 1.00 0.00 C ATOM 1246 OG SER A 83 -8.744 7.412 -9.500 1.00 0.00 O ATOM 0 H SER A 83 -5.245 8.713 -8.728 1.00 0.00 H new ATOM 0 HA SER A 83 -7.604 8.614 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.842 9.260 -9.442 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.832 7.955 -10.031 1.00 0.00 H new ATOM 0 HG SER A 83 -9.085 7.559 -10.407 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.125 6.258 -6.593 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.374 4.899 -6.104 1.00 0.00 C ATOM 1254 C PRO A 84 -8.956 3.993 -7.183 1.00 0.00 C ATOM 1255 O PRO A 84 -9.631 4.460 -8.101 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.387 5.108 -4.977 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.079 6.382 -5.320 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.050 7.240 -6.003 1.00 0.00 C ATOM 0 HA PRO A 84 -7.456 4.406 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.091 4.278 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.893 5.175 -4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.932 6.199 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.463 6.871 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.499 7.877 -6.765 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.542 7.897 -5.297 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.692 2.696 -7.066 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.192 1.725 -8.032 1.00 0.00 C ATOM 1268 C ILE A 85 -10.489 1.087 -7.548 1.00 0.00 C ATOM 1269 O ILE A 85 -11.271 0.566 -8.343 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.157 0.616 -8.302 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.728 -0.043 -6.989 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.951 1.184 -9.035 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.956 -1.329 -7.183 1.00 0.00 C ATOM 0 H ILE A 85 -8.135 2.293 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.380 2.268 -8.958 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.617 -0.144 -8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.114 0.658 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.614 -0.248 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.229 0.388 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.271 1.610 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.488 1.961 -8.427 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.684 -1.741 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.575 -2.047 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.052 -1.127 -7.757 1.00 0.00 H new ATOM 1285 N MET A 86 -10.712 1.132 -6.238 1.00 0.00 N ATOM 1286 CA MET A 86 -11.918 0.561 -5.648 1.00 0.00 C ATOM 1287 C MET A 86 -12.145 1.106 -4.242 1.00 0.00 C ATOM 1288 O MET A 86 -11.225 1.626 -3.609 1.00 0.00 O ATOM 1289 CB MET A 86 -11.817 -0.965 -5.606 1.00 0.00 C ATOM 1290 CG MET A 86 -10.930 -1.485 -4.486 1.00 0.00 C ATOM 1291 SD MET A 86 -10.928 -3.285 -4.381 1.00 0.00 S ATOM 1292 CE MET A 86 -9.297 -3.659 -5.022 1.00 0.00 C ATOM 0 H MET A 86 -10.074 1.558 -5.565 1.00 0.00 H new ATOM 0 HA MET A 86 -12.767 0.845 -6.270 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.817 -1.384 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.430 -1.322 -6.560 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.910 -1.133 -4.642 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.269 -1.070 -3.537 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.060 -4.705 -4.826 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.278 -3.478 -6.097 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.559 -3.022 -4.534 1.00 0.00 H new ATOM 1302 N THR A 87 -13.377 0.985 -3.757 1.00 0.00 N ATOM 1303 CA THR A 87 -13.726 1.467 -2.426 1.00 0.00 C ATOM 1304 C THR A 87 -13.448 0.406 -1.367 1.00 0.00 C ATOM 1305 O THR A 87 -13.642 -0.786 -1.603 1.00 0.00 O ATOM 1306 CB THR A 87 -15.208 1.878 -2.348 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.036 0.822 -2.848 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.460 3.148 -3.146 1.00 0.00 C ATOM 0 H THR A 87 -14.150 0.557 -4.266 1.00 0.00 H new ATOM 0 HA THR A 87 -13.104 2.341 -2.233 1.00 0.00 H new ATOM 0 HB THR A 87 -15.455 2.069 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.977 1.090 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.514 3.419 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.850 3.957 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.197 2.980 -4.190 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.992 0.848 -0.199 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.695 -0.077 0.879 1.00 0.00 C ATOM 1318 C GLY A 88 -13.671 -1.236 0.934 1.00 0.00 C ATOM 1319 O GLY A 88 -13.269 -2.388 1.101 1.00 0.00 O ATOM 0 H GLY A 88 -12.823 1.830 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.684 -0.463 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.717 0.458 1.829 1.00 0.00 H new ATOM 1323 N LYS A 89 -14.956 -0.932 0.794 1.00 0.00 N ATOM 1324 CA LYS A 89 -15.993 -1.957 0.828 1.00 0.00 C ATOM 1325 C LYS A 89 -15.819 -2.946 -0.320 1.00 0.00 C ATOM 1326 O LYS A 89 -15.907 -4.158 -0.125 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.379 -1.312 0.753 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.470 -2.136 1.414 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.620 -1.263 1.887 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.928 -2.038 1.930 1.00 0.00 C ATOM 1331 NZ LYS A 89 -22.109 -1.139 1.816 1.00 0.00 N ATOM 0 H LYS A 89 -15.305 0.016 0.656 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.901 -2.500 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.340 -0.331 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.640 -1.152 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.843 -2.880 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.053 -2.680 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.396 -0.870 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.725 -0.406 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.946 -2.766 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.987 -2.599 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.981 -1.705 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.106 -0.461 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.066 -0.622 0.914 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.570 -2.421 -1.515 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.382 -3.260 -2.693 1.00 0.00 C ATOM 1347 C GLU A 90 -14.118 -4.105 -2.564 1.00 0.00 C ATOM 1348 O GLU A 90 -13.939 -5.087 -3.283 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.305 -2.397 -3.954 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.653 -1.865 -4.412 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.585 -2.965 -4.881 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -18.238 -3.596 -4.023 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -17.661 -3.195 -6.106 1.00 0.00 O ATOM 0 H GLU A 90 -15.494 -1.420 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.239 -3.929 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.636 -1.556 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.863 -2.984 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.122 -1.321 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.502 -1.152 -5.222 1.00 0.00 H new ATOM 1360 N MET A 91 -13.244 -3.713 -1.643 1.00 0.00 N ATOM 1361 CA MET A 91 -11.996 -4.435 -1.418 1.00 0.00 C ATOM 1362 C MET A 91 -12.173 -5.507 -0.348 1.00 0.00 C ATOM 1363 O MET A 91 -11.489 -6.530 -0.362 1.00 0.00 O ATOM 1364 CB MET A 91 -10.888 -3.464 -1.006 1.00 0.00 C ATOM 1365 CG MET A 91 -9.585 -4.152 -0.633 1.00 0.00 C ATOM 1366 SD MET A 91 -8.592 -4.589 -2.074 1.00 0.00 S ATOM 1367 CE MET A 91 -7.128 -3.598 -1.789 1.00 0.00 C ATOM 0 H MET A 91 -13.376 -2.900 -1.041 1.00 0.00 H new ATOM 0 HA MET A 91 -11.714 -4.922 -2.351 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.701 -2.770 -1.825 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.232 -2.871 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.006 -3.496 0.017 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.805 -5.054 -0.062 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.633 -3.398 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.412 -2.655 -1.322 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.446 -4.137 -1.132 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.094 -5.265 0.579 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.362 -6.210 1.656 1.00 0.00 C ATOM 1379 C ALA A 92 -14.494 -7.161 1.283 1.00 0.00 C ATOM 1380 O ALA A 92 -14.805 -8.092 2.025 1.00 0.00 O ATOM 1381 CB ALA A 92 -13.695 -5.467 2.941 1.00 0.00 C ATOM 0 H ALA A 92 -13.667 -4.422 0.606 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.462 -6.804 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.893 -6.186 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.853 -4.835 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.578 -4.847 2.785 1.00 0.00 H new ATOM 1387 N SER A 93 -15.108 -6.919 0.130 1.00 0.00 N ATOM 1388 CA SER A 93 -16.211 -7.751 -0.339 1.00 0.00 C ATOM 1389 C SER A 93 -15.773 -8.619 -1.515 1.00 0.00 C ATOM 1390 O SER A 93 -16.168 -9.780 -1.625 1.00 0.00 O ATOM 1391 CB SER A 93 -17.398 -6.878 -0.749 1.00 0.00 C ATOM 1392 OG SER A 93 -18.252 -6.628 0.354 1.00 0.00 O ATOM 0 H SER A 93 -14.861 -6.154 -0.497 1.00 0.00 H new ATOM 0 HA SER A 93 -16.515 -8.404 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.036 -5.933 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.959 -7.371 -1.543 1.00 0.00 H new ATOM 0 HG SER A 93 -19.002 -6.067 0.066 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.955 -8.047 -2.393 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.462 -8.768 -3.560 1.00 0.00 C ATOM 1400 C VAL A 94 -13.824 -10.093 -3.159 1.00 0.00 C ATOM 1401 O VAL A 94 -13.604 -10.967 -3.997 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.433 -7.931 -4.343 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.398 -7.338 -3.400 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.766 -8.777 -5.417 1.00 0.00 C ATOM 0 H VAL A 94 -14.620 -7.087 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.323 -8.962 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.956 -7.109 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.680 -6.750 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.894 -6.696 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.877 -8.142 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.042 -8.170 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.256 -9.620 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.522 -9.148 -6.110 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.528 -10.236 -1.871 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.918 -11.457 -1.380 1.00 0.00 C ATOM 1416 C GLY A 95 -11.422 -11.496 -1.622 1.00 0.00 C ATOM 1417 O GLY A 95 -10.662 -11.965 -0.775 1.00 0.00 O ATOM 0 H GLY A 95 -13.700 -9.527 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.113 -11.553 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.384 -12.314 -1.867 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.998 -11.001 -2.781 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.583 -10.984 -3.131 1.00 0.00 C ATOM 1423 C GLU A 96 -9.331 -10.077 -4.332 1.00 0.00 C ATOM 1424 O GLU A 96 -10.007 -10.160 -5.358 1.00 0.00 O ATOM 1425 CB GLU A 96 -9.093 -12.401 -3.437 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.592 -12.492 -3.657 1.00 0.00 C ATOM 1427 CD GLU A 96 -7.095 -13.924 -3.705 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -7.787 -14.771 -4.307 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -6.015 -14.196 -3.140 1.00 0.00 O ATOM 0 H GLU A 96 -11.614 -10.607 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.029 -10.592 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.371 -13.058 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.605 -12.769 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.334 -11.990 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.078 -11.960 -2.856 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.334 -9.189 -4.204 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.969 -8.249 -5.267 1.00 0.00 C ATOM 1438 C PRO A 97 -7.325 -8.946 -6.461 1.00 0.00 C ATOM 1439 O PRO A 97 -7.290 -10.174 -6.530 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.963 -7.316 -4.587 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.383 -8.127 -3.481 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.485 -9.035 -3.010 1.00 0.00 C ATOM 0 HA PRO A 97 -8.840 -7.735 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.192 -6.989 -5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.450 -6.418 -4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.525 -8.703 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.032 -7.488 -2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.097 -9.994 -2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.037 -8.599 -2.178 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.816 -8.154 -7.399 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.172 -8.695 -8.590 1.00 0.00 C ATOM 1452 C ASP A 98 -4.708 -8.272 -8.655 1.00 0.00 C ATOM 1453 O ASP A 98 -4.390 -7.085 -8.590 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.907 -8.231 -9.849 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.448 -8.969 -11.091 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.340 -8.668 -11.584 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.197 -9.845 -11.572 1.00 0.00 O ATOM 0 H ASP A 98 -6.837 -7.135 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.215 -9.783 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.979 -8.380 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.748 -7.161 -9.986 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.819 -9.252 -8.784 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.388 -8.983 -8.858 1.00 0.00 C ATOM 1464 C LYS A 99 -2.109 -7.760 -9.726 1.00 0.00 C ATOM 1465 O LYS A 99 -1.405 -6.839 -9.310 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.648 -10.200 -9.419 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.136 -10.063 -9.381 1.00 0.00 C ATOM 1468 CD LYS A 99 0.422 -10.427 -8.016 1.00 0.00 C ATOM 1469 CE LYS A 99 1.940 -10.527 -8.043 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.476 -11.162 -6.808 1.00 0.00 N ATOM 0 H LYS A 99 -4.065 -10.240 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.029 -8.780 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.939 -11.085 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.964 -10.364 -10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.308 -10.707 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.144 -9.039 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.119 -9.677 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.001 -11.378 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.250 -11.106 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.368 -9.531 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.513 -11.212 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.202 -10.596 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.088 -12.122 -6.715 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.665 -7.757 -10.932 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.478 -6.646 -11.858 1.00 0.00 C ATOM 1486 C LEU A 100 -2.887 -5.325 -11.214 1.00 0.00 C ATOM 1487 O LEU A 100 -2.039 -4.502 -10.869 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.289 -6.877 -13.135 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.764 -7.962 -14.076 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.836 -8.364 -15.077 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.511 -7.484 -14.795 1.00 0.00 C ATOM 0 H LEU A 100 -3.249 -8.512 -11.292 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.419 -6.593 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.310 -7.133 -12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.337 -5.938 -13.686 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.505 -8.838 -13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.445 -9.137 -15.738 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.706 -8.749 -14.544 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.127 -7.495 -15.667 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.151 -8.269 -15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.744 -6.593 -15.378 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.739 -7.247 -14.063 1.00 0.00 H new ATOM 1503 N SER A 101 -4.192 -5.130 -11.054 1.00 0.00 N ATOM 1504 CA SER A 101 -4.714 -3.909 -10.453 1.00 0.00 C ATOM 1505 C SER A 101 -3.873 -3.493 -9.250 1.00 0.00 C ATOM 1506 O SER A 101 -3.424 -2.351 -9.158 1.00 0.00 O ATOM 1507 CB SER A 101 -6.170 -4.106 -10.028 1.00 0.00 C ATOM 1508 OG SER A 101 -6.876 -2.877 -10.036 1.00 0.00 O ATOM 0 H SER A 101 -4.907 -5.802 -11.332 1.00 0.00 H new ATOM 0 HA SER A 101 -4.665 -3.117 -11.200 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.656 -4.812 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.205 -4.542 -9.030 1.00 0.00 H new ATOM 0 HG SER A 101 -7.804 -3.031 -9.762 1.00 0.00 H new ATOM 1514 N MET A 102 -3.665 -4.429 -8.330 1.00 0.00 N ATOM 1515 CA MET A 102 -2.877 -4.161 -7.132 1.00 0.00 C ATOM 1516 C MET A 102 -1.505 -3.602 -7.498 1.00 0.00 C ATOM 1517 O MET A 102 -1.187 -2.455 -7.183 1.00 0.00 O ATOM 1518 CB MET A 102 -2.716 -5.437 -6.305 1.00 0.00 C ATOM 1519 CG MET A 102 -4.022 -5.949 -5.717 1.00 0.00 C ATOM 1520 SD MET A 102 -4.948 -4.662 -4.859 1.00 0.00 S ATOM 1521 CE MET A 102 -3.802 -4.234 -3.551 1.00 0.00 C ATOM 0 H MET A 102 -4.031 -5.379 -8.391 1.00 0.00 H new ATOM 0 HA MET A 102 -3.407 -3.417 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.280 -6.214 -6.933 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.011 -5.249 -5.495 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.638 -6.364 -6.515 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.810 -6.762 -5.023 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.298 -3.582 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.469 -5.142 -3.048 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.941 -3.718 -3.976 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.696 -4.420 -8.164 1.00 0.00 N ATOM 1532 CA VAL A 103 0.641 -4.007 -8.573 1.00 0.00 C ATOM 1533 C VAL A 103 0.613 -2.635 -9.237 1.00 0.00 C ATOM 1534 O VAL A 103 1.230 -1.687 -8.751 1.00 0.00 O ATOM 1535 CB VAL A 103 1.269 -5.023 -9.545 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.636 -4.543 -10.010 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.371 -6.393 -8.891 1.00 0.00 C ATOM 0 H VAL A 103 -0.943 -5.373 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 103 1.248 -3.957 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 103 0.624 -5.110 -10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.064 -5.274 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.531 -3.585 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.293 -4.426 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.817 -7.099 -9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.994 -6.325 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.375 -6.738 -8.613 1.00 0.00 H new ATOM 1547 N MET A 104 -0.106 -2.537 -10.350 1.00 0.00 N ATOM 1548 CA MET A 104 -0.215 -1.279 -11.080 1.00 0.00 C ATOM 1549 C MET A 104 -0.576 -0.134 -10.140 1.00 0.00 C ATOM 1550 O MET A 104 0.243 0.746 -9.876 1.00 0.00 O ATOM 1551 CB MET A 104 -1.266 -1.397 -12.186 1.00 0.00 C ATOM 1552 CG MET A 104 -0.852 -2.319 -13.322 1.00 0.00 C ATOM 1553 SD MET A 104 -1.793 -2.025 -14.832 1.00 0.00 S ATOM 1554 CE MET A 104 -2.475 -3.655 -15.128 1.00 0.00 C ATOM 0 H MET A 104 -0.621 -3.313 -10.766 1.00 0.00 H new ATOM 0 HA MET A 104 0.754 -1.064 -11.530 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.197 -1.762 -11.753 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.470 -0.405 -12.590 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.210 -2.182 -13.527 1.00 0.00 H new ATOM 0 HG3 MET A 104 -0.986 -3.355 -13.011 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.675 -3.778 -16.192 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.762 -4.412 -14.803 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.404 -3.768 -14.569 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.805 -0.152 -9.638 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.275 0.887 -8.728 1.00 0.00 C ATOM 1566 C TYR A 105 -1.178 1.289 -7.747 1.00 0.00 C ATOM 1567 O TYR A 105 -0.877 2.472 -7.584 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.508 0.404 -7.962 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.941 1.343 -6.859 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.489 2.586 -7.153 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.804 0.987 -5.523 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.885 3.447 -6.148 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.199 1.841 -4.512 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.738 3.070 -4.829 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.133 3.925 -3.825 1.00 0.00 O ATOM 0 H TYR A 105 -2.495 -0.874 -9.845 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.544 1.760 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.333 0.275 -8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.298 -0.576 -7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.607 2.884 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.381 0.026 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.307 4.410 -6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.086 1.548 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.842 3.503 -3.296 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.582 0.295 -7.097 1.00 0.00 N ATOM 1586 CA LEU A 106 0.483 0.543 -6.131 1.00 0.00 C ATOM 1587 C LEU A 106 1.639 1.299 -6.778 1.00 0.00 C ATOM 1588 O LEU A 106 2.113 2.304 -6.248 1.00 0.00 O ATOM 1589 CB LEU A 106 0.986 -0.778 -5.547 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.008 -1.549 -4.678 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.454 -2.985 -4.484 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.189 -0.859 -3.334 1.00 0.00 C ATOM 0 H LEU A 106 -0.818 -0.690 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 106 0.076 1.157 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.294 -1.422 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.876 -0.574 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.971 -1.565 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.266 -3.518 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.531 -3.477 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.429 -2.991 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.900 -1.422 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.770 -0.811 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.567 0.151 -3.492 1.00 0.00 H new ATOM 1604 N THR A 107 2.088 0.810 -7.930 1.00 0.00 N ATOM 1605 CA THR A 107 3.188 1.439 -8.650 1.00 0.00 C ATOM 1606 C THR A 107 3.126 2.958 -8.531 1.00 0.00 C ATOM 1607 O THR A 107 4.157 3.626 -8.460 1.00 0.00 O ATOM 1608 CB THR A 107 3.178 1.052 -10.141 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.301 -0.368 -10.279 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.311 1.739 -10.887 1.00 0.00 C ATOM 0 H THR A 107 1.706 -0.020 -8.384 1.00 0.00 H new ATOM 0 HA THR A 107 4.110 1.079 -8.195 1.00 0.00 H new ATOM 0 HB THR A 107 2.231 1.378 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.520 -0.804 -9.880 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.283 1.450 -11.938 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.198 2.820 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.266 1.440 -10.454 1.00 0.00 H new ATOM 1618 N GLN A 108 1.911 3.496 -8.509 1.00 0.00 N ATOM 1619 CA GLN A 108 1.715 4.936 -8.399 1.00 0.00 C ATOM 1620 C GLN A 108 2.394 5.483 -7.147 1.00 0.00 C ATOM 1621 O GLN A 108 3.129 6.470 -7.208 1.00 0.00 O ATOM 1622 CB GLN A 108 0.223 5.269 -8.370 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.512 4.881 -9.644 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.985 5.233 -9.598 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.761 4.441 -8.867 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -2.423 6.206 -10.212 1.00 0.00 N flip ATOM 0 H GLN A 108 1.048 2.956 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 108 2.168 5.406 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.238 4.759 -7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.101 6.339 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.049 5.383 -10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.404 3.809 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.792 6.788 -10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.417 6.430 -10.171 1.00 0.00 H new ATOM 1635 N PHE A 109 2.144 4.836 -6.014 1.00 0.00 N ATOM 1636 CA PHE A 109 2.730 5.259 -4.747 1.00 0.00 C ATOM 1637 C PHE A 109 4.248 5.108 -4.773 1.00 0.00 C ATOM 1638 O PHE A 109 4.979 5.990 -4.322 1.00 0.00 O ATOM 1639 CB PHE A 109 2.145 4.443 -3.593 1.00 0.00 C ATOM 1640 CG PHE A 109 0.689 4.715 -3.344 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.285 4.121 -4.131 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.294 5.564 -2.323 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.625 4.371 -3.904 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.045 5.817 -2.091 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.006 5.219 -2.882 1.00 0.00 C ATOM 0 H PHE A 109 1.540 4.017 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 109 2.490 6.312 -4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.277 3.382 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.707 4.659 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.006 3.456 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.041 6.034 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.374 3.904 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.339 6.482 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.053 5.414 -2.702 1.00 0.00 H new ATOM 1655 N TYR A 110 4.716 3.983 -5.304 1.00 0.00 N ATOM 1656 CA TYR A 110 6.146 3.714 -5.386 1.00 0.00 C ATOM 1657 C TYR A 110 6.851 4.768 -6.234 1.00 0.00 C ATOM 1658 O TYR A 110 7.642 5.561 -5.726 1.00 0.00 O ATOM 1659 CB TYR A 110 6.392 2.323 -5.974 1.00 0.00 C ATOM 1660 CG TYR A 110 7.712 2.197 -6.699 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.897 2.007 -5.998 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.775 2.267 -8.085 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.106 1.892 -6.657 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.979 2.151 -8.753 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.142 1.964 -8.034 1.00 0.00 C ATOM 1666 OH TYR A 110 11.344 1.848 -8.694 1.00 0.00 O ATOM 0 H TYR A 110 4.125 3.243 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 110 6.555 3.752 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.356 1.587 -5.171 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.584 2.081 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.872 1.948 -4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.867 2.415 -8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.018 1.747 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.010 2.206 -9.831 1.00 0.00 H new ATOM 0 HH TYR A 110 11.195 1.919 -9.660 1.00 0.00 H new ATOM 1676 N GLU A 111 6.556 4.770 -7.531 1.00 0.00 N ATOM 1677 CA GLU A 111 7.161 5.726 -8.450 1.00 0.00 C ATOM 1678 C GLU A 111 7.162 7.130 -7.852 1.00 0.00 C ATOM 1679 O GLU A 111 8.050 7.935 -8.133 1.00 0.00 O ATOM 1680 CB GLU A 111 6.412 5.729 -9.784 1.00 0.00 C ATOM 1681 CG GLU A 111 6.835 4.611 -10.722 1.00 0.00 C ATOM 1682 CD GLU A 111 6.212 4.738 -12.099 1.00 0.00 C ATOM 1683 OE1 GLU A 111 4.982 4.937 -12.179 1.00 0.00 O ATOM 1684 OE2 GLU A 111 6.956 4.639 -13.097 1.00 0.00 O ATOM 0 H GLU A 111 5.902 4.120 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 111 8.194 5.422 -8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.343 5.645 -9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.572 6.687 -10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.921 4.613 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.555 3.652 -10.287 1.00 0.00 H new ATOM 1691 N MET A 112 6.161 7.416 -7.026 1.00 0.00 N ATOM 1692 CA MET A 112 6.046 8.722 -6.387 1.00 0.00 C ATOM 1693 C MET A 112 7.076 8.874 -5.272 1.00 0.00 C ATOM 1694 O MET A 112 7.636 9.953 -5.074 1.00 0.00 O ATOM 1695 CB MET A 112 4.637 8.917 -5.826 1.00 0.00 C ATOM 1696 CG MET A 112 4.451 10.237 -5.095 1.00 0.00 C ATOM 1697 SD MET A 112 3.962 11.578 -6.197 1.00 0.00 S ATOM 1698 CE MET A 112 2.228 11.201 -6.440 1.00 0.00 C ATOM 0 H MET A 112 5.418 6.761 -6.783 1.00 0.00 H new ATOM 0 HA MET A 112 6.237 9.486 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.918 8.859 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.410 8.098 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.695 10.115 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.381 10.505 -4.594 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.968 11.345 -7.489 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.038 10.165 -6.158 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.622 11.863 -5.822 1.00 0.00 H new ATOM 1708 N PHE A 113 7.322 7.788 -4.547 1.00 0.00 N ATOM 1709 CA PHE A 113 8.284 7.801 -3.451 1.00 0.00 C ATOM 1710 C PHE A 113 9.528 6.993 -3.810 1.00 0.00 C ATOM 1711 O PHE A 113 10.251 6.523 -2.931 1.00 0.00 O ATOM 1712 CB PHE A 113 7.646 7.240 -2.179 1.00 0.00 C ATOM 1713 CG PHE A 113 6.475 8.044 -1.690 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.567 9.421 -1.565 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.283 7.422 -1.357 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.491 10.162 -1.115 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.203 8.159 -0.907 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.307 9.531 -0.787 1.00 0.00 C ATOM 0 H PHE A 113 6.868 6.887 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 113 8.583 8.834 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.321 6.217 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.400 7.196 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.489 9.920 -1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.196 6.350 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.576 11.234 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.279 7.662 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.464 10.109 -0.437 1.00 0.00 H new ATOM 1728 N LYS A 114 9.770 6.836 -5.106 1.00 0.00 N ATOM 1729 CA LYS A 114 10.926 6.086 -5.584 1.00 0.00 C ATOM 1730 C LYS A 114 12.212 6.880 -5.378 1.00 0.00 C ATOM 1731 O LYS A 114 13.239 6.326 -4.984 1.00 0.00 O ATOM 1732 CB LYS A 114 10.759 5.739 -7.065 1.00 0.00 C ATOM 1733 CG LYS A 114 10.986 6.918 -7.995 1.00 0.00 C ATOM 1734 CD LYS A 114 10.727 6.544 -9.444 1.00 0.00 C ATOM 1735 CE LYS A 114 11.165 7.649 -10.393 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.643 7.668 -10.576 1.00 0.00 N ATOM 0 H LYS A 114 9.181 7.218 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 114 10.993 5.163 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.457 4.943 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.755 5.347 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.331 7.740 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.010 7.275 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.260 5.624 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.665 6.342 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.681 7.511 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.834 8.613 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.899 8.413 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.103 7.859 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.960 6.746 -10.937 1.00 0.00 H new ATOM 1750 N ASP A 115 12.149 8.179 -5.646 1.00 0.00 N ATOM 1751 CA ASP A 115 13.308 9.050 -5.488 1.00 0.00 C ATOM 1752 C ASP A 115 13.682 9.195 -4.017 1.00 0.00 C ATOM 1753 O ASP A 115 14.803 8.879 -3.617 1.00 0.00 O ATOM 1754 CB ASP A 115 13.026 10.426 -6.093 1.00 0.00 C ATOM 1755 CG ASP A 115 13.255 10.458 -7.592 1.00 0.00 C ATOM 1756 OD1 ASP A 115 12.321 10.106 -8.342 1.00 0.00 O ATOM 1757 OD2 ASP A 115 14.369 10.834 -8.014 1.00 0.00 O ATOM 0 H ASP A 115 11.307 8.653 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 115 14.147 8.595 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.995 10.709 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.666 11.168 -5.615 1.00 0.00 H new ATOM 1762 N SER A 116 12.737 9.676 -3.215 1.00 0.00 N ATOM 1763 CA SER A 116 12.969 9.867 -1.789 1.00 0.00 C ATOM 1764 C SER A 116 13.513 8.593 -1.151 1.00 0.00 C ATOM 1765 O SER A 116 12.972 7.506 -1.350 1.00 0.00 O ATOM 1766 CB SER A 116 11.673 10.288 -1.092 1.00 0.00 C ATOM 1767 OG SER A 116 11.115 11.438 -1.703 1.00 0.00 O ATOM 0 H SER A 116 11.803 9.940 -3.529 1.00 0.00 H new ATOM 0 HA SER A 116 13.711 10.657 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.955 9.469 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.872 10.492 -0.040 1.00 0.00 H new ATOM 0 HG SER A 116 10.287 11.685 -1.240 1.00 0.00 H new ATOM 1773 N GLY A 117 14.588 8.735 -0.381 1.00 0.00 N ATOM 1774 CA GLY A 117 15.188 7.588 0.275 1.00 0.00 C ATOM 1775 C GLY A 117 16.035 6.758 -0.669 1.00 0.00 C ATOM 1776 O GLY A 117 16.507 7.239 -1.700 1.00 0.00 O ATOM 0 H GLY A 117 15.054 9.624 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.805 7.930 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.402 6.963 0.698 1.00 0.00 H new ATOM 1780 N PRO A 118 16.241 5.480 -0.317 1.00 0.00 N ATOM 1781 CA PRO A 118 17.040 4.555 -1.126 1.00 0.00 C ATOM 1782 C PRO A 118 16.350 4.186 -2.435 1.00 0.00 C ATOM 1783 O PRO A 118 15.324 3.506 -2.437 1.00 0.00 O ATOM 1784 CB PRO A 118 17.175 3.324 -0.228 1.00 0.00 C ATOM 1785 CG PRO A 118 15.990 3.380 0.673 1.00 0.00 C ATOM 1786 CD PRO A 118 15.709 4.840 0.898 1.00 0.00 C ATOM 0 HA PRO A 118 17.994 4.991 -1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 118 17.183 2.405 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.105 3.348 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.132 2.883 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.192 2.872 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 118 14.643 5.030 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.202 5.211 1.797 1.00 0.00 H new ATOM 1794 N SER A 119 16.920 4.639 -3.548 1.00 0.00 N ATOM 1795 CA SER A 119 16.357 4.359 -4.863 1.00 0.00 C ATOM 1796 C SER A 119 17.279 3.446 -5.665 1.00 0.00 C ATOM 1797 O SER A 119 18.370 3.095 -5.214 1.00 0.00 O ATOM 1798 CB SER A 119 16.120 5.663 -5.628 1.00 0.00 C ATOM 1799 OG SER A 119 17.335 6.363 -5.830 1.00 0.00 O ATOM 0 H SER A 119 17.771 5.201 -3.564 1.00 0.00 H new ATOM 0 HA SER A 119 15.403 3.850 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.658 5.445 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.422 6.291 -5.075 1.00 0.00 H new ATOM 0 HG SER A 119 17.157 7.192 -6.322 1.00 0.00 H new ATOM 1805 N SER A 120 16.833 3.064 -6.858 1.00 0.00 N ATOM 1806 CA SER A 120 17.616 2.189 -7.723 1.00 0.00 C ATOM 1807 C SER A 120 18.361 2.996 -8.781 1.00 0.00 C ATOM 1808 O SER A 120 19.569 2.843 -8.958 1.00 0.00 O ATOM 1809 CB SER A 120 16.707 1.158 -8.396 1.00 0.00 C ATOM 1810 OG SER A 120 17.451 0.038 -8.844 1.00 0.00 O ATOM 0 H SER A 120 15.934 3.347 -7.247 1.00 0.00 H new ATOM 0 HA SER A 120 18.349 1.669 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 120 15.940 0.832 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 120 16.192 1.618 -9.240 1.00 0.00 H new ATOM 0 HG SER A 120 16.848 -0.607 -9.269 1.00 0.00 H new ATOM 1816 N GLY A 121 17.631 3.856 -9.484 1.00 0.00 N ATOM 1817 CA GLY A 121 18.238 4.675 -10.517 1.00 0.00 C ATOM 1818 C GLY A 121 18.835 5.955 -9.966 1.00 0.00 C ATOM 1819 O GLY A 121 19.412 5.960 -8.879 1.00 0.00 O ATOM 0 H GLY A 121 16.629 4.000 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 121 19.017 4.102 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 121 17.488 4.922 -11.268 1.00 0.00 H new TER 1823 GLY A 121