USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1022 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 110 LYS NZ :NH3+ 142:sc= 0.38 (180deg=-0.0543) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.18 K(o=0.28,f=-2.8) USER MOD Set 1.3: A 113 THR OG1 : rot -30:sc= 1.08 USER MOD Set 2.1: A 94 TYR OH : rot -129:sc= 0.504 USER MOD Set 2.2: A 96 ASN : amide:sc= 0.473 K(o=0.98,f=-0.14) USER MOD Set 3.1: A 45 MET CE :methyl 172:sc= -2.54 (180deg=-2.81) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 171:sc= 2.43 (180deg=2.24) USER MOD Set 4.1: A 74 HIS : no HE2:sc= 1.18 K(o=2.1,f=-6.5!) USER MOD Set 4.2: A 75 ASN : amide:sc= 0.921 K(o=2.1,f=-3.7!) USER MOD Set 5.1: A 33 ASN : amide:sc= -1.13 K(o=-1.2,f=-3.8!) USER MOD Set 5.2: A 62 SER OG : rot 180:sc= -0.0349 USER MOD Set 6.1: A 55 SER OG : rot -149:sc= 1.16 USER MOD Set 6.2: A 57 SER OG : rot 131:sc= 2.32 USER MOD Set 7.1: A 44 THR OG1 : rot 180:sc= -2.4! USER MOD Set 7.2: A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 4 LYS NZ :NH3+ -175:sc= 0.968 (180deg=0) USER MOD Set 8.2: A 6 TYR OH : rot 15:sc= 0.889 USER MOD Single : A 1 CYS N :NH3+ 145:sc= 0.672 (180deg=0.172) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.221 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.293! (180deg=-3.24!) USER MOD Single : A 8 THR OG1 : rot -62:sc= 1.15 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.09) USER MOD Single : A 17 SER OG : rot 67:sc= 1.15 USER MOD Single : A 23 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.098) USER MOD Single : A 25 HIS : no HE2:sc= -0.891 K(o=-0.36,f=-8.6!) USER MOD Single : A 26 SER OG : rot 91:sc= 0.99 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -21:sc= 0.64 USER MOD Single : A 29 GLN : amide:sc= 0.191 K(o=0.19,f=-0.45) USER MOD Single : A 31 MET CE :methyl -165:sc= -0.0551 (180deg=-0.376) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.761) USER MOD Single : A 36 HIS : no HE2:sc= 0.766 K(o=1.7,f=-5.9!) USER MOD Single : A 40 SER OG : rot -9:sc= 0.925 USER MOD Single : A 46 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.029) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 0.924 (180deg=0.661) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 1.73 (180deg=1.58) USER MOD Single : A 61 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= 2.36 (180deg=0.986) USER MOD Single : A 69 SER OG : rot -79:sc= 0.38 USER MOD Single : A 71 TYR OH : rot 35:sc= 1.02 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00693 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0.808 (180deg=0.4) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.793! (180deg=-1.53!) USER MOD Single : A 98 ASN : amide:sc= -0.504 K(o=-0.5,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.564 K(o=-0.56,f=0) USER MOD Single : A 104 TYR OH : rot -102:sc= 1.28 USER MOD Single : A 106 MET CE :methyl -161:sc= -0.151 (180deg=-1.19) USER MOD Single : A 109 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 116 ASN : amide:sc= 0.029! X(o=0.029!,f=-0.08) USER MOD Single : A 118 ASN : amide:sc= 0.058 X(o=0.058,f=-0.002) USER MOD Single : A 120 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.916) USER MOD Single : A 124 MET CE :methyl 141:sc= -0.247 (180deg=-0.71) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0415 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 6.565 -23.925 -14.405 1.00 0.00 N ATOM 2 CA CYS A 1 6.827 -24.865 -13.315 1.00 0.00 C ATOM 3 C CYS A 1 5.610 -25.741 -13.164 1.00 0.00 C ATOM 4 O CYS A 1 4.604 -25.471 -13.808 1.00 0.00 O ATOM 5 CB CYS A 1 7.088 -24.074 -12.039 1.00 0.00 C ATOM 6 SG CYS A 1 8.378 -22.830 -12.249 1.00 0.00 S ATOM 0 H1 CYS A 1 7.012 -23.011 -14.190 1.00 0.00 H new ATOM 0 H2 CYS A 1 6.958 -24.302 -15.291 1.00 0.00 H new ATOM 0 H3 CYS A 1 5.539 -23.793 -14.510 1.00 0.00 H new ATOM 0 HA CYS A 1 7.699 -25.486 -13.521 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.166 -23.587 -11.722 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.376 -24.760 -11.242 1.00 0.00 H new ATOM 0 HG CYS A 1 8.551 -22.191 -11.130 1.00 0.00 H new ATOM 14 N LYS A 2 5.688 -26.778 -12.348 1.00 0.00 N ATOM 15 CA LYS A 2 4.548 -27.648 -12.145 1.00 0.00 C ATOM 16 C LYS A 2 3.641 -27.058 -11.073 1.00 0.00 C ATOM 17 O LYS A 2 3.750 -27.395 -9.900 1.00 0.00 O ATOM 18 CB LYS A 2 4.989 -29.080 -11.772 1.00 0.00 C ATOM 19 CG LYS A 2 3.835 -30.066 -11.589 1.00 0.00 C ATOM 20 CD LYS A 2 4.328 -31.423 -11.114 1.00 0.00 C ATOM 21 CE LYS A 2 3.169 -32.380 -10.885 1.00 0.00 C ATOM 22 NZ LYS A 2 3.632 -33.702 -10.380 1.00 0.00 N ATOM 0 H LYS A 2 6.522 -27.035 -11.820 1.00 0.00 H new ATOM 0 HA LYS A 2 3.993 -27.718 -13.081 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.654 -29.457 -12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.568 -29.041 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.123 -29.664 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.302 -30.182 -12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.010 -31.844 -11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.893 -31.304 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.472 -31.942 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.623 -32.519 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.812 -34.325 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.277 -34.132 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.131 -33.573 -9.477 1.00 0.00 H new ATOM 36 N THR A 3 2.849 -26.100 -11.485 1.00 0.00 N ATOM 37 CA THR A 3 1.893 -25.431 -10.651 1.00 0.00 C ATOM 38 C THR A 3 1.161 -24.418 -11.525 1.00 0.00 C ATOM 39 O THR A 3 1.745 -23.887 -12.492 1.00 0.00 O ATOM 40 CB THR A 3 2.555 -24.726 -9.406 1.00 0.00 C ATOM 41 OG1 THR A 3 1.551 -24.179 -8.543 1.00 0.00 O ATOM 42 CG2 THR A 3 3.525 -23.616 -9.823 1.00 0.00 C ATOM 0 H THR A 3 2.856 -25.755 -12.445 1.00 0.00 H new ATOM 0 HA THR A 3 1.203 -26.165 -10.236 1.00 0.00 H new ATOM 0 HB THR A 3 3.120 -25.490 -8.873 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.980 -23.747 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.958 -23.158 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.320 -24.039 -10.437 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.988 -22.860 -10.396 1.00 0.00 H new ATOM 50 N LYS A 4 -0.100 -24.212 -11.243 1.00 0.00 N ATOM 51 CA LYS A 4 -0.948 -23.293 -11.967 1.00 0.00 C ATOM 52 C LYS A 4 -1.959 -22.731 -11.007 1.00 0.00 C ATOM 53 O LYS A 4 -2.629 -23.488 -10.306 1.00 0.00 O ATOM 54 CB LYS A 4 -1.671 -23.998 -13.134 1.00 0.00 C ATOM 55 CG LYS A 4 -0.771 -24.366 -14.322 1.00 0.00 C ATOM 56 CD LYS A 4 -1.486 -25.227 -15.364 1.00 0.00 C ATOM 57 CE LYS A 4 -2.772 -24.586 -15.870 1.00 0.00 C ATOM 58 NZ LYS A 4 -2.559 -23.243 -16.481 1.00 0.00 N ATOM 0 H LYS A 4 -0.581 -24.692 -10.482 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.335 -22.498 -12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.140 -24.907 -12.756 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.472 -23.351 -13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.412 -23.453 -14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.106 -24.900 -13.956 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.816 -25.403 -16.206 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.716 -26.200 -14.930 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.233 -25.244 -16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.474 -24.494 -15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.478 -22.824 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.069 -22.626 -15.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.981 -23.340 -17.340 1.00 0.00 H new ATOM 72 N ASP A 5 -2.060 -21.435 -10.957 1.00 0.00 N ATOM 73 CA ASP A 5 -2.973 -20.795 -10.036 1.00 0.00 C ATOM 74 C ASP A 5 -4.278 -20.434 -10.708 1.00 0.00 C ATOM 75 O ASP A 5 -4.293 -19.905 -11.822 1.00 0.00 O ATOM 76 CB ASP A 5 -2.344 -19.559 -9.389 1.00 0.00 C ATOM 77 CG ASP A 5 -3.298 -18.863 -8.428 1.00 0.00 C ATOM 78 OD1 ASP A 5 -3.900 -19.563 -7.568 1.00 0.00 O ATOM 79 OD2 ASP A 5 -3.433 -17.639 -8.495 1.00 0.00 O ATOM 0 H ASP A 5 -1.524 -20.794 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.187 -21.517 -9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.441 -19.852 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.040 -18.859 -10.167 1.00 0.00 H new ATOM 84 N TYR A 6 -5.350 -20.805 -10.050 1.00 0.00 N ATOM 85 CA TYR A 6 -6.721 -20.490 -10.428 1.00 0.00 C ATOM 86 C TYR A 6 -7.498 -20.312 -9.137 1.00 0.00 C ATOM 87 O TYR A 6 -8.714 -20.473 -9.090 1.00 0.00 O ATOM 88 CB TYR A 6 -7.380 -21.630 -11.237 1.00 0.00 C ATOM 89 CG TYR A 6 -6.796 -21.909 -12.608 1.00 0.00 C ATOM 90 CD1 TYR A 6 -6.736 -20.916 -13.583 1.00 0.00 C ATOM 91 CD2 TYR A 6 -6.343 -23.176 -12.937 1.00 0.00 C ATOM 92 CE1 TYR A 6 -6.234 -21.182 -14.842 1.00 0.00 C ATOM 93 CE2 TYR A 6 -5.839 -23.448 -14.189 1.00 0.00 C ATOM 94 CZ TYR A 6 -5.783 -22.449 -15.139 1.00 0.00 C ATOM 95 OH TYR A 6 -5.289 -22.736 -16.408 1.00 0.00 O ATOM 0 H TYR A 6 -5.296 -21.360 -9.196 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.724 -19.598 -11.054 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -7.321 -22.545 -10.648 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -8.438 -21.396 -11.357 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.088 -19.922 -13.351 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.386 -23.964 -12.199 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.195 -20.402 -15.588 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.488 -24.441 -14.427 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.108 -21.900 -16.885 1.00 0.00 H new ATOM 105 N LYS A 7 -6.773 -19.975 -8.093 1.00 0.00 N ATOM 106 CA LYS A 7 -7.328 -19.858 -6.765 1.00 0.00 C ATOM 107 C LYS A 7 -7.313 -18.390 -6.396 1.00 0.00 C ATOM 108 O LYS A 7 -7.247 -17.516 -7.265 1.00 0.00 O ATOM 109 CB LYS A 7 -6.379 -20.540 -5.765 1.00 0.00 C ATOM 110 CG LYS A 7 -5.865 -21.921 -6.116 1.00 0.00 C ATOM 111 CD LYS A 7 -4.819 -22.397 -5.081 1.00 0.00 C ATOM 112 CE LYS A 7 -3.415 -21.702 -5.189 1.00 0.00 C ATOM 113 NZ LYS A 7 -3.419 -20.210 -5.065 1.00 0.00 N ATOM 0 H LYS A 7 -5.774 -19.773 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.325 -20.297 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.518 -19.888 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.893 -20.606 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.696 -22.625 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.419 -21.906 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.216 -22.226 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.684 -23.473 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.767 -22.111 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.971 -21.967 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.489 -19.887 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.619 -19.785 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.152 -19.920 -4.386 1.00 0.00 H new ATOM 127 N THR A 8 -7.341 -18.140 -5.106 1.00 0.00 N ATOM 128 CA THR A 8 -7.045 -16.862 -4.602 1.00 0.00 C ATOM 129 C THR A 8 -5.528 -16.786 -4.698 1.00 0.00 C ATOM 130 O THR A 8 -4.834 -17.825 -4.555 1.00 0.00 O ATOM 131 CB THR A 8 -7.460 -16.777 -3.131 1.00 0.00 C ATOM 132 OG1 THR A 8 -8.812 -17.238 -3.006 1.00 0.00 O ATOM 133 CG2 THR A 8 -7.349 -15.341 -2.633 1.00 0.00 C ATOM 0 H THR A 8 -7.573 -18.833 -4.394 1.00 0.00 H new ATOM 0 HA THR A 8 -7.557 -16.063 -5.138 1.00 0.00 H new ATOM 0 HB THR A 8 -6.800 -17.400 -2.528 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.405 -16.657 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.647 -15.295 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.318 -15.000 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.002 -14.699 -3.225 1.00 0.00 H new ATOM 141 N ARG A 9 -5.008 -15.633 -4.878 1.00 0.00 N ATOM 142 CA ARG A 9 -3.634 -15.508 -5.246 1.00 0.00 C ATOM 143 C ARG A 9 -2.764 -15.338 -4.046 1.00 0.00 C ATOM 144 O ARG A 9 -3.001 -14.469 -3.201 1.00 0.00 O ATOM 145 CB ARG A 9 -3.517 -14.334 -6.174 1.00 0.00 C ATOM 146 CG ARG A 9 -4.342 -14.532 -7.426 1.00 0.00 C ATOM 147 CD ARG A 9 -4.322 -13.335 -8.333 1.00 0.00 C ATOM 148 NE ARG A 9 -5.327 -13.487 -9.387 1.00 0.00 N ATOM 149 CZ ARG A 9 -6.065 -12.488 -9.886 1.00 0.00 C ATOM 150 NH1 ARG A 9 -5.736 -11.224 -9.632 1.00 0.00 N ATOM 151 NH2 ARG A 9 -7.107 -12.754 -10.670 1.00 0.00 N ATOM 0 H ARG A 9 -5.509 -14.750 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.296 -16.416 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.844 -13.430 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.472 -14.186 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.967 -15.400 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.372 -14.752 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.520 -12.430 -7.759 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.333 -13.221 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.475 -14.421 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.920 -11.015 -9.056 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.299 -10.464 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.345 -13.721 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.668 -11.991 -11.049 1.00 0.00 H new ATOM 165 N ASP A 10 -1.770 -16.194 -3.955 1.00 0.00 N ATOM 166 CA ASP A 10 -0.849 -16.191 -2.849 1.00 0.00 C ATOM 167 C ASP A 10 0.149 -15.097 -3.024 1.00 0.00 C ATOM 168 O ASP A 10 1.203 -15.257 -3.643 1.00 0.00 O ATOM 169 CB ASP A 10 -0.147 -17.535 -2.678 1.00 0.00 C ATOM 170 CG ASP A 10 -1.121 -18.669 -2.409 1.00 0.00 C ATOM 171 OD1 ASP A 10 -1.422 -18.931 -1.217 1.00 0.00 O ATOM 172 OD2 ASP A 10 -1.625 -19.286 -3.379 1.00 0.00 O ATOM 0 H ASP A 10 -1.580 -16.914 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.424 -16.016 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.427 -17.759 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.564 -17.468 -1.855 1.00 0.00 H new ATOM 177 N VAL A 11 -0.217 -13.991 -2.508 1.00 0.00 N ATOM 178 CA VAL A 11 0.531 -12.797 -2.586 1.00 0.00 C ATOM 179 C VAL A 11 1.548 -12.765 -1.491 1.00 0.00 C ATOM 180 O VAL A 11 1.221 -12.641 -0.304 1.00 0.00 O ATOM 181 CB VAL A 11 -0.432 -11.593 -2.503 1.00 0.00 C ATOM 182 CG1 VAL A 11 0.273 -10.337 -2.175 1.00 0.00 C ATOM 183 CG2 VAL A 11 -1.077 -11.397 -3.809 1.00 0.00 C ATOM 0 H VAL A 11 -1.091 -13.886 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 11 1.065 -12.746 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.154 -11.815 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.445 -9.518 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.770 -10.440 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.015 -10.125 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.758 -10.548 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.316 -11.204 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.636 -12.294 -4.077 1.00 0.00 H new ATOM 193 N THR A 12 2.760 -13.010 -1.833 1.00 0.00 N ATOM 194 CA THR A 12 3.760 -12.892 -0.842 1.00 0.00 C ATOM 195 C THR A 12 4.810 -11.889 -1.205 1.00 0.00 C ATOM 196 O THR A 12 5.129 -11.004 -0.411 1.00 0.00 O ATOM 197 CB THR A 12 4.416 -14.211 -0.457 1.00 0.00 C ATOM 198 OG1 THR A 12 5.290 -14.671 -1.503 1.00 0.00 O ATOM 199 CG2 THR A 12 3.384 -15.261 -0.260 1.00 0.00 C ATOM 0 H THR A 12 3.076 -13.285 -2.763 1.00 0.00 H new ATOM 0 HA THR A 12 3.221 -12.537 0.036 1.00 0.00 H new ATOM 0 HB THR A 12 4.977 -14.037 0.461 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.703 -15.519 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.867 -16.199 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.703 -14.957 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.824 -15.399 -1.185 1.00 0.00 H new ATOM 207 N ASP A 13 5.353 -11.999 -2.400 1.00 0.00 N ATOM 208 CA ASP A 13 6.448 -11.154 -2.745 1.00 0.00 C ATOM 209 C ASP A 13 5.996 -9.839 -3.316 1.00 0.00 C ATOM 210 O ASP A 13 6.786 -8.903 -3.433 1.00 0.00 O ATOM 211 CB ASP A 13 7.534 -11.853 -3.559 1.00 0.00 C ATOM 212 CG ASP A 13 8.917 -11.506 -3.007 1.00 0.00 C ATOM 213 OD1 ASP A 13 9.270 -12.000 -1.879 1.00 0.00 O ATOM 214 OD2 ASP A 13 9.651 -10.722 -3.632 1.00 0.00 O ATOM 0 H ASP A 13 5.055 -12.652 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 13 6.947 -10.908 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.383 -12.932 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.466 -11.551 -4.604 1.00 0.00 H new ATOM 219 N ASP A 14 4.708 -9.749 -3.643 1.00 0.00 N ATOM 220 CA ASP A 14 4.088 -8.468 -3.987 1.00 0.00 C ATOM 221 C ASP A 14 4.145 -7.684 -2.711 1.00 0.00 C ATOM 222 O ASP A 14 4.663 -6.565 -2.652 1.00 0.00 O ATOM 223 CB ASP A 14 2.597 -8.623 -4.311 1.00 0.00 C ATOM 224 CG ASP A 14 2.258 -9.825 -5.153 1.00 0.00 C ATOM 225 OD1 ASP A 14 2.534 -10.976 -4.678 1.00 0.00 O ATOM 226 OD2 ASP A 14 1.670 -9.643 -6.234 1.00 0.00 O ATOM 0 H ASP A 14 4.073 -10.546 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 14 4.590 -8.023 -4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.040 -8.683 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.256 -7.726 -4.828 1.00 0.00 H new ATOM 231 N VAL A 15 3.630 -8.335 -1.658 1.00 0.00 N ATOM 232 CA VAL A 15 3.677 -7.807 -0.297 1.00 0.00 C ATOM 233 C VAL A 15 5.116 -7.515 0.138 1.00 0.00 C ATOM 234 O VAL A 15 5.393 -6.465 0.706 1.00 0.00 O ATOM 235 CB VAL A 15 2.955 -8.766 0.704 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.300 -8.437 2.153 1.00 0.00 C ATOM 237 CG2 VAL A 15 1.473 -8.593 0.533 1.00 0.00 C ATOM 0 H VAL A 15 3.170 -9.242 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 15 3.139 -6.859 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 15 3.277 -9.786 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.778 -9.126 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.375 -8.534 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.993 -7.415 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.948 -9.254 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.201 -7.559 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.193 -8.841 -0.491 1.00 0.00 H new ATOM 247 N LYS A 16 6.014 -8.433 -0.153 1.00 0.00 N ATOM 248 CA LYS A 16 7.435 -8.256 0.155 1.00 0.00 C ATOM 249 C LYS A 16 7.982 -6.996 -0.514 1.00 0.00 C ATOM 250 O LYS A 16 8.706 -6.231 0.106 1.00 0.00 O ATOM 251 CB LYS A 16 8.213 -9.426 -0.362 1.00 0.00 C ATOM 252 CG LYS A 16 9.620 -9.579 0.191 1.00 0.00 C ATOM 253 CD LYS A 16 9.610 -10.082 1.625 1.00 0.00 C ATOM 254 CE LYS A 16 8.766 -11.356 1.756 1.00 0.00 C ATOM 255 NZ LYS A 16 9.162 -12.427 0.769 1.00 0.00 N ATOM 0 H LYS A 16 5.792 -9.319 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 16 7.536 -8.171 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.655 -10.336 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.276 -9.346 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.183 -10.273 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.135 -8.619 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.631 -10.283 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.212 -9.309 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.864 -11.748 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.715 -11.106 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.721 -13.329 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.842 -12.157 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.197 -12.534 0.769 1.00 0.00 H new ATOM 269 N SER A 17 7.643 -6.806 -1.787 1.00 0.00 N ATOM 270 CA SER A 17 8.064 -5.636 -2.527 1.00 0.00 C ATOM 271 C SER A 17 7.511 -4.382 -1.893 1.00 0.00 C ATOM 272 O SER A 17 8.224 -3.399 -1.752 1.00 0.00 O ATOM 273 CB SER A 17 7.669 -5.755 -3.991 1.00 0.00 C ATOM 274 OG SER A 17 8.285 -6.898 -4.558 1.00 0.00 O ATOM 0 H SER A 17 7.072 -7.458 -2.325 1.00 0.00 H new ATOM 0 HA SER A 17 9.151 -5.569 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.585 -5.831 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.972 -4.859 -4.534 1.00 0.00 H new ATOM 0 HG SER A 17 7.914 -7.707 -4.148 1.00 0.00 H new ATOM 280 N ILE A 18 6.257 -4.446 -1.477 1.00 0.00 N ATOM 281 CA ILE A 18 5.636 -3.369 -0.735 1.00 0.00 C ATOM 282 C ILE A 18 6.499 -3.023 0.479 1.00 0.00 C ATOM 283 O ILE A 18 6.907 -1.880 0.646 1.00 0.00 O ATOM 284 CB ILE A 18 4.205 -3.762 -0.278 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.252 -3.832 -1.488 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.696 -2.825 0.808 1.00 0.00 C ATOM 287 CD1 ILE A 18 1.844 -4.297 -1.158 1.00 0.00 C ATOM 0 H ILE A 18 5.645 -5.245 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 18 5.555 -2.498 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 18 4.242 -4.758 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.196 -2.845 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.678 -4.506 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.692 -3.126 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.361 -2.872 1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.670 -1.805 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.244 -4.316 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.883 -5.298 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.393 -3.611 -0.440 1.00 0.00 H new ATOM 299 N VAL A 19 6.821 -4.041 1.267 1.00 0.00 N ATOM 300 CA VAL A 19 7.642 -3.897 2.461 1.00 0.00 C ATOM 301 C VAL A 19 9.004 -3.295 2.140 1.00 0.00 C ATOM 302 O VAL A 19 9.443 -2.387 2.823 1.00 0.00 O ATOM 303 CB VAL A 19 7.818 -5.243 3.188 1.00 0.00 C ATOM 304 CG1 VAL A 19 8.763 -5.118 4.376 1.00 0.00 C ATOM 305 CG2 VAL A 19 6.492 -5.730 3.669 1.00 0.00 C ATOM 0 H VAL A 19 6.516 -4.999 1.093 1.00 0.00 H new ATOM 0 HA VAL A 19 7.114 -3.211 3.124 1.00 0.00 H new ATOM 0 HB VAL A 19 8.248 -5.951 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.863 -6.087 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.741 -4.784 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.362 -4.394 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.619 -6.683 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.064 -5.001 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.823 -5.863 2.819 1.00 0.00 H new ATOM 315 N ARG A 20 9.641 -3.789 1.078 1.00 0.00 N ATOM 316 CA ARG A 20 10.950 -3.284 0.633 1.00 0.00 C ATOM 317 C ARG A 20 10.907 -1.781 0.437 1.00 0.00 C ATOM 318 O ARG A 20 11.772 -1.052 0.918 1.00 0.00 O ATOM 319 CB ARG A 20 11.376 -3.941 -0.697 1.00 0.00 C ATOM 320 CG ARG A 20 11.651 -5.428 -0.613 1.00 0.00 C ATOM 321 CD ARG A 20 11.943 -6.031 -1.994 1.00 0.00 C ATOM 322 NE ARG A 20 12.234 -7.480 -1.921 1.00 0.00 N ATOM 323 CZ ARG A 20 11.523 -8.463 -2.541 1.00 0.00 C ATOM 324 NH1 ARG A 20 10.477 -8.187 -3.299 1.00 0.00 N ATOM 325 NH2 ARG A 20 11.876 -9.737 -2.408 1.00 0.00 N ATOM 0 H ARG A 20 9.271 -4.545 0.502 1.00 0.00 H new ATOM 0 HA ARG A 20 11.673 -3.535 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.593 -3.772 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.273 -3.440 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.500 -5.604 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.792 -5.932 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.087 -5.867 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.791 -5.514 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 20 13.035 -7.767 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.184 -7.219 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.962 -8.942 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.685 -9.985 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.338 -10.467 -2.876 1.00 0.00 H new ATOM 339 N PHE A 21 9.869 -1.330 -0.214 1.00 0.00 N ATOM 340 CA PHE A 21 9.754 0.049 -0.563 1.00 0.00 C ATOM 341 C PHE A 21 9.212 0.922 0.544 1.00 0.00 C ATOM 342 O PHE A 21 9.589 2.082 0.672 1.00 0.00 O ATOM 343 CB PHE A 21 8.979 0.217 -1.834 1.00 0.00 C ATOM 344 CG PHE A 21 9.738 -0.294 -3.016 1.00 0.00 C ATOM 345 CD1 PHE A 21 10.785 0.432 -3.522 1.00 0.00 C ATOM 346 CD2 PHE A 21 9.400 -1.475 -3.611 1.00 0.00 C ATOM 347 CE1 PHE A 21 11.491 -0.012 -4.622 1.00 0.00 C ATOM 348 CE2 PHE A 21 10.091 -1.943 -4.711 1.00 0.00 C ATOM 349 CZ PHE A 21 11.143 -1.208 -5.220 1.00 0.00 C ATOM 0 H PHE A 21 9.085 -1.910 -0.514 1.00 0.00 H new ATOM 0 HA PHE A 21 10.772 0.402 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.030 -0.313 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.744 1.271 -1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.061 1.365 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.578 -2.053 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.311 0.572 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.810 -2.879 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.690 -1.565 -6.080 1.00 0.00 H new ATOM 359 N VAL A 22 8.326 0.404 1.349 1.00 0.00 N ATOM 360 CA VAL A 22 7.843 1.202 2.431 1.00 0.00 C ATOM 361 C VAL A 22 8.915 1.329 3.508 1.00 0.00 C ATOM 362 O VAL A 22 9.009 2.355 4.172 1.00 0.00 O ATOM 363 CB VAL A 22 6.493 0.732 3.019 1.00 0.00 C ATOM 364 CG1 VAL A 22 5.387 0.843 1.979 1.00 0.00 C ATOM 365 CG2 VAL A 22 6.593 -0.681 3.534 1.00 0.00 C ATOM 0 H VAL A 22 7.937 -0.536 1.279 1.00 0.00 H new ATOM 0 HA VAL A 22 7.631 2.187 2.015 1.00 0.00 H new ATOM 0 HB VAL A 22 6.245 1.383 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.445 0.507 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.290 1.881 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.633 0.220 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.630 -0.988 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.870 -1.347 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.351 -0.731 4.315 1.00 0.00 H new ATOM 375 N GLN A 23 9.737 0.280 3.647 1.00 0.00 N ATOM 376 CA GLN A 23 10.879 0.305 4.550 1.00 0.00 C ATOM 377 C GLN A 23 11.846 1.430 4.151 1.00 0.00 C ATOM 378 O GLN A 23 12.247 2.238 4.996 1.00 0.00 O ATOM 379 CB GLN A 23 11.610 -1.047 4.535 1.00 0.00 C ATOM 380 CG GLN A 23 12.751 -1.168 5.534 1.00 0.00 C ATOM 381 CD GLN A 23 12.281 -1.039 6.972 1.00 0.00 C ATOM 382 OE1 GLN A 23 12.241 0.042 7.527 1.00 0.00 O ATOM 383 NE2 GLN A 23 11.916 -2.139 7.573 1.00 0.00 N ATOM 0 H GLN A 23 9.625 -0.598 3.139 1.00 0.00 H new ATOM 0 HA GLN A 23 10.515 0.492 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.886 -1.837 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.003 -1.220 3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.245 -2.131 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.494 -0.397 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.962 -3.030 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.585 -2.108 8.537 1.00 0.00 H new ATOM 392 N GLU A 24 12.195 1.509 2.857 1.00 0.00 N ATOM 393 CA GLU A 24 13.107 2.554 2.403 1.00 0.00 C ATOM 394 C GLU A 24 12.476 3.935 2.475 1.00 0.00 C ATOM 395 O GLU A 24 13.167 4.928 2.736 1.00 0.00 O ATOM 396 CB GLU A 24 13.793 2.241 1.025 1.00 0.00 C ATOM 397 CG GLU A 24 12.884 1.922 -0.187 1.00 0.00 C ATOM 398 CD GLU A 24 12.146 3.115 -0.808 1.00 0.00 C ATOM 399 OE1 GLU A 24 12.390 4.267 -0.415 1.00 0.00 O ATOM 400 OE2 GLU A 24 11.294 2.909 -1.703 1.00 0.00 O ATOM 0 H GLU A 24 11.866 0.876 2.128 1.00 0.00 H new ATOM 0 HA GLU A 24 13.933 2.563 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.414 3.097 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.463 1.394 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.494 1.455 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.144 1.184 0.124 1.00 0.00 H new ATOM 407 N HIS A 25 11.145 3.983 2.356 1.00 0.00 N ATOM 408 CA HIS A 25 10.406 5.246 2.380 1.00 0.00 C ATOM 409 C HIS A 25 10.415 5.949 3.715 1.00 0.00 C ATOM 410 O HIS A 25 9.925 7.082 3.822 1.00 0.00 O ATOM 411 CB HIS A 25 9.004 5.126 1.799 1.00 0.00 C ATOM 412 CG HIS A 25 8.950 5.459 0.339 1.00 0.00 C ATOM 413 ND1 HIS A 25 10.031 5.367 -0.498 1.00 0.00 N ATOM 414 CD2 HIS A 25 7.950 5.965 -0.419 1.00 0.00 C ATOM 415 CE1 HIS A 25 9.724 5.797 -1.674 1.00 0.00 C ATOM 416 NE2 HIS A 25 8.459 6.170 -1.676 1.00 0.00 N ATOM 0 H HIS A 25 10.557 3.157 2.242 1.00 0.00 H new ATOM 0 HA HIS A 25 10.968 5.899 1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.639 4.110 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.332 5.789 2.343 1.00 0.00 H new ATOM 0 HD1 HIS A 25 10.948 5.009 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.940 6.169 -0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.394 5.844 -2.520 1.00 0.00 H new ATOM 425 N SER A 26 10.984 5.299 4.725 1.00 0.00 N ATOM 426 CA SER A 26 11.237 5.934 6.002 1.00 0.00 C ATOM 427 C SER A 26 12.218 7.101 5.760 1.00 0.00 C ATOM 428 O SER A 26 12.202 8.124 6.448 1.00 0.00 O ATOM 429 CB SER A 26 11.846 4.910 6.960 1.00 0.00 C ATOM 430 OG SER A 26 11.034 3.745 7.023 1.00 0.00 O ATOM 0 H SER A 26 11.279 4.324 4.677 1.00 0.00 H new ATOM 0 HA SER A 26 10.315 6.312 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.849 4.644 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.945 5.346 7.954 1.00 0.00 H new ATOM 0 HG SER A 26 11.338 3.098 6.352 1.00 0.00 H new ATOM 436 N SER A 27 13.034 6.944 4.729 1.00 0.00 N ATOM 437 CA SER A 27 13.923 7.961 4.295 1.00 0.00 C ATOM 438 C SER A 27 13.202 8.728 3.188 1.00 0.00 C ATOM 439 O SER A 27 13.373 8.456 2.010 1.00 0.00 O ATOM 440 CB SER A 27 15.212 7.332 3.765 1.00 0.00 C ATOM 441 OG SER A 27 15.717 6.376 4.693 1.00 0.00 O ATOM 0 H SER A 27 13.083 6.088 4.176 1.00 0.00 H new ATOM 0 HA SER A 27 14.196 8.629 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.022 6.851 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.958 8.108 3.590 1.00 0.00 H new ATOM 0 HG SER A 27 16.541 5.981 4.339 1.00 0.00 H new ATOM 447 N SER A 28 12.341 9.636 3.584 1.00 0.00 N ATOM 448 CA SER A 28 11.505 10.372 2.648 1.00 0.00 C ATOM 449 C SER A 28 12.273 11.503 1.926 1.00 0.00 C ATOM 450 O SER A 28 11.689 12.268 1.153 1.00 0.00 O ATOM 451 CB SER A 28 10.313 10.939 3.402 1.00 0.00 C ATOM 452 OG SER A 28 9.673 9.929 4.183 1.00 0.00 O ATOM 0 H SER A 28 12.196 9.889 4.561 1.00 0.00 H new ATOM 0 HA SER A 28 11.174 9.681 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.641 11.751 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.600 11.364 2.695 1.00 0.00 H new ATOM 0 HG SER A 28 9.904 9.045 3.827 1.00 0.00 H new ATOM 458 N GLN A 29 13.577 11.578 2.139 1.00 0.00 N ATOM 459 CA GLN A 29 14.371 12.628 1.551 1.00 0.00 C ATOM 460 C GLN A 29 14.739 12.309 0.090 1.00 0.00 C ATOM 461 O GLN A 29 15.863 11.914 -0.237 1.00 0.00 O ATOM 462 CB GLN A 29 15.608 12.959 2.407 1.00 0.00 C ATOM 463 CG GLN A 29 16.476 14.084 1.850 1.00 0.00 C ATOM 464 CD GLN A 29 17.658 14.420 2.733 1.00 0.00 C ATOM 465 OE1 GLN A 29 18.175 13.579 3.450 1.00 0.00 O ATOM 466 NE2 GLN A 29 18.113 15.643 2.658 1.00 0.00 N ATOM 0 H GLN A 29 14.102 10.921 2.716 1.00 0.00 H new ATOM 0 HA GLN A 29 13.757 13.528 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.279 13.233 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.218 12.061 2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.838 13.799 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.863 14.976 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.656 16.321 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.925 15.920 3.210 1.00 0.00 H new ATOM 475 N GLY A 30 13.760 12.417 -0.760 1.00 0.00 N ATOM 476 CA GLY A 30 13.973 12.255 -2.165 1.00 0.00 C ATOM 477 C GLY A 30 14.202 13.602 -2.770 1.00 0.00 C ATOM 478 O GLY A 30 13.276 14.197 -3.300 1.00 0.00 O ATOM 0 H GLY A 30 12.795 12.619 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.832 11.608 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.110 11.775 -2.626 1.00 0.00 H new ATOM 482 N MET A 31 15.442 14.085 -2.639 1.00 0.00 N ATOM 483 CA MET A 31 15.864 15.438 -3.060 1.00 0.00 C ATOM 484 C MET A 31 15.306 15.869 -4.421 1.00 0.00 C ATOM 485 O MET A 31 14.337 16.633 -4.480 1.00 0.00 O ATOM 486 CB MET A 31 17.396 15.580 -3.028 1.00 0.00 C ATOM 487 CG MET A 31 18.012 15.459 -1.635 1.00 0.00 C ATOM 488 SD MET A 31 17.451 16.746 -0.487 1.00 0.00 S ATOM 489 CE MET A 31 18.081 18.230 -1.277 1.00 0.00 C ATOM 0 H MET A 31 16.201 13.540 -2.230 1.00 0.00 H new ATOM 0 HA MET A 31 15.429 16.119 -2.328 1.00 0.00 H new ATOM 0 HB2 MET A 31 17.833 14.817 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 31 17.668 16.548 -3.449 1.00 0.00 H new ATOM 0 HG2 MET A 31 17.767 14.481 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 31 19.098 15.506 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 31 18.051 19.059 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.109 18.063 -1.597 1.00 0.00 H new ATOM 0 HE3 MET A 31 17.465 18.470 -2.144 1.00 0.00 H new ATOM 499 N ARG A 32 15.901 15.399 -5.502 1.00 0.00 N ATOM 500 CA ARG A 32 15.399 15.757 -6.819 1.00 0.00 C ATOM 501 C ARG A 32 14.388 14.728 -7.293 1.00 0.00 C ATOM 502 O ARG A 32 13.180 14.978 -7.249 1.00 0.00 O ATOM 503 CB ARG A 32 16.530 15.934 -7.852 1.00 0.00 C ATOM 504 CG ARG A 32 16.025 16.365 -9.235 1.00 0.00 C ATOM 505 CD ARG A 32 17.152 16.483 -10.252 1.00 0.00 C ATOM 506 NE ARG A 32 18.140 17.524 -9.890 1.00 0.00 N ATOM 507 CZ ARG A 32 19.241 17.827 -10.610 1.00 0.00 C ATOM 508 NH1 ARG A 32 19.497 17.172 -11.754 1.00 0.00 N ATOM 509 NH2 ARG A 32 20.074 18.792 -10.191 1.00 0.00 N ATOM 0 H ARG A 32 16.714 14.783 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 32 14.905 16.724 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.237 16.677 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.075 14.995 -7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.291 15.643 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.514 17.324 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.659 15.522 -10.340 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.730 16.712 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 32 17.977 18.052 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.859 16.445 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.329 17.401 -12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.876 19.298 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.906 19.020 -10.736 1.00 0.00 H new ATOM 523 N ASN A 33 14.906 13.550 -7.705 1.00 0.00 N ATOM 524 CA ASN A 33 14.089 12.442 -8.233 1.00 0.00 C ATOM 525 C ASN A 33 13.447 12.868 -9.584 1.00 0.00 C ATOM 526 O ASN A 33 13.775 13.940 -10.111 1.00 0.00 O ATOM 527 CB ASN A 33 13.039 12.008 -7.161 1.00 0.00 C ATOM 528 CG ASN A 33 12.181 10.828 -7.550 1.00 0.00 C ATOM 529 OD1 ASN A 33 12.587 9.974 -8.322 1.00 0.00 O ATOM 530 ND2 ASN A 33 10.989 10.783 -7.036 1.00 0.00 N ATOM 0 H ASN A 33 15.905 13.343 -7.680 1.00 0.00 H new ATOM 0 HA ASN A 33 14.709 11.569 -8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 33 13.564 11.767 -6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.389 12.856 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.359 10.017 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.683 11.514 -6.394 1.00 0.00 H new ATOM 537 N ILE A 34 12.613 12.016 -10.178 1.00 0.00 N ATOM 538 CA ILE A 34 11.891 12.359 -11.395 1.00 0.00 C ATOM 539 C ILE A 34 10.996 13.570 -11.102 1.00 0.00 C ATOM 540 O ILE A 34 10.875 14.485 -11.933 1.00 0.00 O ATOM 541 CB ILE A 34 10.988 11.182 -11.887 1.00 0.00 C ATOM 542 CG1 ILE A 34 11.803 9.888 -12.075 1.00 0.00 C ATOM 543 CG2 ILE A 34 10.272 11.552 -13.191 1.00 0.00 C ATOM 544 CD1 ILE A 34 10.964 8.683 -12.497 1.00 0.00 C ATOM 0 H ILE A 34 12.422 11.076 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 34 12.620 12.577 -12.175 1.00 0.00 H new ATOM 0 HB ILE A 34 10.239 11.001 -11.116 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.574 10.062 -12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.314 9.653 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.650 10.717 -13.514 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.646 12.429 -13.026 1.00 0.00 H new ATOM 0 HG23 ILE A 34 11.011 11.773 -13.962 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.609 7.812 -12.609 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.210 8.481 -11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.474 8.896 -13.447 1.00 0.00 H new ATOM 556 N LYS A 35 10.366 13.531 -9.913 1.00 0.00 N ATOM 557 CA LYS A 35 9.489 14.573 -9.352 1.00 0.00 C ATOM 558 C LYS A 35 8.920 14.096 -8.027 1.00 0.00 C ATOM 559 O LYS A 35 8.917 12.886 -7.742 1.00 0.00 O ATOM 560 CB LYS A 35 8.335 14.956 -10.304 1.00 0.00 C ATOM 561 CG LYS A 35 8.594 16.236 -11.108 1.00 0.00 C ATOM 562 CD LYS A 35 7.603 16.420 -12.253 1.00 0.00 C ATOM 563 CE LYS A 35 7.776 15.343 -13.328 1.00 0.00 C ATOM 564 NZ LYS A 35 9.168 15.314 -13.869 1.00 0.00 N ATOM 0 H LYS A 35 10.460 12.731 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 35 10.097 15.466 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.159 14.133 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.423 15.083 -9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.538 17.097 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.607 16.210 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.586 16.386 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.740 17.405 -12.699 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.530 14.368 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.074 15.526 -14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.183 14.779 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.493 16.286 -14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.799 14.856 -13.180 1.00 0.00 H new ATOM 578 N HIS A 36 8.480 15.030 -7.214 1.00 0.00 N ATOM 579 CA HIS A 36 7.841 14.729 -5.948 1.00 0.00 C ATOM 580 C HIS A 36 7.169 15.982 -5.435 1.00 0.00 C ATOM 581 O HIS A 36 7.783 17.039 -5.415 1.00 0.00 O ATOM 582 CB HIS A 36 8.843 14.169 -4.874 1.00 0.00 C ATOM 583 CG HIS A 36 9.894 15.138 -4.369 1.00 0.00 C ATOM 584 ND1 HIS A 36 9.921 15.606 -3.072 1.00 0.00 N ATOM 585 CD2 HIS A 36 10.960 15.702 -4.988 1.00 0.00 C ATOM 586 CE1 HIS A 36 10.954 16.412 -2.921 1.00 0.00 C ATOM 587 NE2 HIS A 36 11.602 16.485 -4.069 1.00 0.00 N ATOM 0 H HIS A 36 8.555 16.028 -7.412 1.00 0.00 H new ATOM 0 HA HIS A 36 7.108 13.941 -6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.266 13.814 -4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.351 13.303 -5.298 1.00 0.00 H new ATOM 0 HD1 HIS A 36 9.248 15.366 -2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.249 15.559 -6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.225 16.926 -2.011 1.00 0.00 H new ATOM 596 N VAL A 37 5.919 15.877 -5.090 1.00 0.00 N ATOM 597 CA VAL A 37 5.209 16.998 -4.501 1.00 0.00 C ATOM 598 C VAL A 37 5.193 16.803 -2.986 1.00 0.00 C ATOM 599 O VAL A 37 5.039 17.738 -2.211 1.00 0.00 O ATOM 600 CB VAL A 37 3.760 17.149 -5.084 1.00 0.00 C ATOM 601 CG1 VAL A 37 2.875 15.954 -4.756 1.00 0.00 C ATOM 602 CG2 VAL A 37 3.110 18.456 -4.640 1.00 0.00 C ATOM 0 H VAL A 37 5.361 15.030 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 37 5.723 17.927 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 37 3.864 17.179 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.883 16.108 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.314 15.050 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.793 15.848 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.108 18.526 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.047 18.480 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.710 19.297 -4.987 1.00 0.00 H new ATOM 612 N GLY A 38 5.410 15.563 -2.589 1.00 0.00 N ATOM 613 CA GLY A 38 5.474 15.230 -1.202 1.00 0.00 C ATOM 614 C GLY A 38 6.883 15.428 -0.677 1.00 0.00 C ATOM 615 O GLY A 38 7.847 14.927 -1.295 1.00 0.00 O ATOM 0 H GLY A 38 5.544 14.774 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.778 15.852 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.166 14.195 -1.055 1.00 0.00 H new ATOM 619 N PRO A 39 7.069 16.221 0.390 1.00 0.00 N ATOM 620 CA PRO A 39 8.369 16.386 1.011 1.00 0.00 C ATOM 621 C PRO A 39 8.689 15.216 1.951 1.00 0.00 C ATOM 622 O PRO A 39 9.533 14.387 1.650 1.00 0.00 O ATOM 623 CB PRO A 39 8.247 17.710 1.801 1.00 0.00 C ATOM 624 CG PRO A 39 6.858 18.222 1.544 1.00 0.00 C ATOM 625 CD PRO A 39 6.051 17.059 1.038 1.00 0.00 C ATOM 0 HA PRO A 39 9.176 16.407 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.411 17.545 2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.995 18.431 1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.421 18.628 2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.873 19.029 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.548 16.532 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.280 17.376 0.336 1.00 0.00 H new ATOM 633 N SER A 40 7.984 15.154 3.067 1.00 0.00 N ATOM 634 CA SER A 40 8.128 14.127 4.084 1.00 0.00 C ATOM 635 C SER A 40 6.909 14.247 4.995 1.00 0.00 C ATOM 636 O SER A 40 6.122 15.186 4.827 1.00 0.00 O ATOM 637 CB SER A 40 9.421 14.344 4.912 1.00 0.00 C ATOM 638 OG SER A 40 10.591 14.292 4.103 1.00 0.00 O ATOM 0 H SER A 40 7.269 15.843 3.298 1.00 0.00 H new ATOM 0 HA SER A 40 8.196 13.141 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.371 15.310 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.485 13.583 5.690 1.00 0.00 H new ATOM 0 HG SER A 40 10.353 13.986 3.203 1.00 0.00 H new ATOM 644 N GLY A 41 6.735 13.326 5.921 1.00 0.00 N ATOM 645 CA GLY A 41 5.634 13.432 6.850 1.00 0.00 C ATOM 646 C GLY A 41 4.994 12.099 7.135 1.00 0.00 C ATOM 647 O GLY A 41 5.107 11.573 8.243 1.00 0.00 O ATOM 0 H GLY A 41 7.332 12.509 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.990 13.868 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.885 14.113 6.446 1.00 0.00 H new ATOM 651 N ARG A 42 4.283 11.581 6.155 1.00 0.00 N ATOM 652 CA ARG A 42 3.625 10.283 6.216 1.00 0.00 C ATOM 653 C ARG A 42 3.026 9.976 4.873 1.00 0.00 C ATOM 654 O ARG A 42 2.852 10.879 4.060 1.00 0.00 O ATOM 655 CB ARG A 42 2.524 10.164 7.315 1.00 0.00 C ATOM 656 CG ARG A 42 1.396 11.210 7.283 1.00 0.00 C ATOM 657 CD ARG A 42 1.768 12.482 8.046 1.00 0.00 C ATOM 658 NE ARG A 42 2.125 12.165 9.445 1.00 0.00 N ATOM 659 CZ ARG A 42 1.272 12.197 10.491 1.00 0.00 C ATOM 660 NH1 ARG A 42 0.065 12.764 10.365 1.00 0.00 N ATOM 661 NH2 ARG A 42 1.639 11.697 11.673 1.00 0.00 N ATOM 0 H ARG A 42 4.140 12.062 5.267 1.00 0.00 H new ATOM 0 HA ARG A 42 4.396 9.562 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.072 9.175 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.009 10.218 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.166 11.463 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.492 10.781 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.606 12.975 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.932 13.181 8.028 1.00 0.00 H new ATOM 0 HE ARG A 42 3.092 11.901 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.215 13.175 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.574 12.785 11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.567 11.289 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.992 11.723 12.461 1.00 0.00 H new ATOM 675 N PHE A 43 2.714 8.728 4.652 1.00 0.00 N ATOM 676 CA PHE A 43 2.134 8.268 3.412 1.00 0.00 C ATOM 677 C PHE A 43 0.889 7.529 3.743 1.00 0.00 C ATOM 678 O PHE A 43 0.914 6.674 4.604 1.00 0.00 O ATOM 679 CB PHE A 43 3.105 7.322 2.689 1.00 0.00 C ATOM 680 CG PHE A 43 4.488 7.883 2.512 1.00 0.00 C ATOM 681 CD1 PHE A 43 4.741 8.853 1.564 1.00 0.00 C ATOM 682 CD2 PHE A 43 5.534 7.438 3.307 1.00 0.00 C ATOM 683 CE1 PHE A 43 6.010 9.371 1.410 1.00 0.00 C ATOM 684 CE2 PHE A 43 6.803 7.951 3.156 1.00 0.00 C ATOM 685 CZ PHE A 43 7.041 8.920 2.207 1.00 0.00 C ATOM 0 H PHE A 43 2.857 7.987 5.338 1.00 0.00 H new ATOM 0 HA PHE A 43 1.926 9.116 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.171 6.389 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.695 7.077 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.938 9.210 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.351 6.680 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.196 10.130 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.609 7.594 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.034 9.326 2.087 1.00 0.00 H new ATOM 695 N THR A 44 -0.205 7.896 3.143 1.00 0.00 N ATOM 696 CA THR A 44 -1.422 7.161 3.341 1.00 0.00 C ATOM 697 C THR A 44 -1.385 5.954 2.407 1.00 0.00 C ATOM 698 O THR A 44 -0.655 6.001 1.387 1.00 0.00 O ATOM 699 CB THR A 44 -2.684 8.043 3.063 1.00 0.00 C ATOM 700 OG1 THR A 44 -2.744 8.419 1.679 1.00 0.00 O ATOM 701 CG2 THR A 44 -2.654 9.324 3.902 1.00 0.00 C ATOM 0 H THR A 44 -0.281 8.696 2.515 1.00 0.00 H new ATOM 0 HA THR A 44 -1.495 6.841 4.381 1.00 0.00 H new ATOM 0 HB THR A 44 -3.558 7.448 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.540 8.969 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.542 9.919 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.635 9.065 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.763 9.901 3.654 1.00 0.00 H new ATOM 709 N MET A 45 -2.120 4.868 2.728 1.00 0.00 N ATOM 710 CA MET A 45 -2.171 3.690 1.831 1.00 0.00 C ATOM 711 C MET A 45 -2.544 4.121 0.423 1.00 0.00 C ATOM 712 O MET A 45 -2.018 3.620 -0.555 1.00 0.00 O ATOM 713 CB MET A 45 -3.207 2.623 2.278 1.00 0.00 C ATOM 714 CG MET A 45 -4.676 3.107 2.278 1.00 0.00 C ATOM 715 SD MET A 45 -5.866 1.799 1.884 1.00 0.00 S ATOM 716 CE MET A 45 -5.369 1.434 0.209 1.00 0.00 C ATOM 0 H MET A 45 -2.674 4.780 3.580 1.00 0.00 H new ATOM 0 HA MET A 45 -1.176 3.246 1.869 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.124 1.758 1.620 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.950 2.286 3.282 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.914 3.521 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.784 3.916 1.555 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.902 0.552 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.605 2.282 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.296 1.245 0.181 1.00 0.00 H new ATOM 726 N ASN A 46 -3.404 5.112 0.368 1.00 0.00 N ATOM 727 CA ASN A 46 -3.976 5.628 -0.848 1.00 0.00 C ATOM 728 C ASN A 46 -2.892 6.223 -1.750 1.00 0.00 C ATOM 729 O ASN A 46 -2.877 5.980 -2.957 1.00 0.00 O ATOM 730 CB ASN A 46 -5.033 6.670 -0.472 1.00 0.00 C ATOM 731 CG ASN A 46 -5.844 7.166 -1.638 1.00 0.00 C ATOM 732 OD1 ASN A 46 -5.504 8.153 -2.272 1.00 0.00 O ATOM 733 ND2 ASN A 46 -6.917 6.465 -1.945 1.00 0.00 N ATOM 0 H ASN A 46 -3.735 5.597 1.202 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.446 4.824 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.706 6.239 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.540 7.519 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.497 6.741 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.167 5.646 -1.390 1.00 0.00 H new ATOM 740 N MET A 47 -1.939 6.921 -1.134 1.00 0.00 N ATOM 741 CA MET A 47 -0.835 7.557 -1.861 1.00 0.00 C ATOM 742 C MET A 47 0.092 6.500 -2.418 1.00 0.00 C ATOM 743 O MET A 47 0.633 6.631 -3.519 1.00 0.00 O ATOM 744 CB MET A 47 -0.028 8.471 -0.931 1.00 0.00 C ATOM 745 CG MET A 47 -0.804 9.628 -0.346 1.00 0.00 C ATOM 746 SD MET A 47 0.174 10.586 0.825 1.00 0.00 S ATOM 747 CE MET A 47 -0.993 11.862 1.295 1.00 0.00 C ATOM 0 H MET A 47 -1.908 7.063 -0.124 1.00 0.00 H new ATOM 0 HA MET A 47 -1.262 8.149 -2.671 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.373 7.871 -0.114 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.824 8.866 -1.484 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.143 10.280 -1.152 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.696 9.249 0.153 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.528 12.532 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.288 12.429 0.412 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.874 11.402 1.742 1.00 0.00 H new ATOM 757 N LEU A 48 0.259 5.448 -1.650 1.00 0.00 N ATOM 758 CA LEU A 48 1.129 4.360 -2.017 1.00 0.00 C ATOM 759 C LEU A 48 0.584 3.600 -3.208 1.00 0.00 C ATOM 760 O LEU A 48 1.337 3.144 -4.033 1.00 0.00 O ATOM 761 CB LEU A 48 1.349 3.425 -0.833 1.00 0.00 C ATOM 762 CG LEU A 48 1.964 4.067 0.412 1.00 0.00 C ATOM 763 CD1 LEU A 48 2.148 3.036 1.500 1.00 0.00 C ATOM 764 CD2 LEU A 48 3.289 4.731 0.073 1.00 0.00 C ATOM 0 H LEU A 48 -0.207 5.325 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 48 2.092 4.783 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.390 2.986 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.994 2.607 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 48 1.282 4.835 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.586 3.509 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.181 2.608 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.810 2.246 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.710 5.182 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.981 3.984 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.127 5.504 -0.679 1.00 0.00 H new ATOM 776 N VAL A 49 -0.734 3.505 -3.306 1.00 0.00 N ATOM 777 CA VAL A 49 -1.391 2.843 -4.375 1.00 0.00 C ATOM 778 C VAL A 49 -1.193 3.607 -5.667 1.00 0.00 C ATOM 779 O VAL A 49 -0.998 3.004 -6.742 1.00 0.00 O ATOM 780 CB VAL A 49 -2.864 2.746 -4.036 1.00 0.00 C ATOM 781 CG1 VAL A 49 -3.616 2.172 -5.156 1.00 0.00 C ATOM 782 CG2 VAL A 49 -3.023 1.901 -2.823 1.00 0.00 C ATOM 0 H VAL A 49 -1.373 3.902 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.974 1.845 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.257 3.744 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.672 2.111 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.498 2.805 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.238 1.173 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.080 1.824 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.623 0.906 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.482 2.353 -1.991 1.00 0.00 H new ATOM 792 N ASP A 50 -1.238 4.928 -5.554 1.00 0.00 N ATOM 793 CA ASP A 50 -0.962 5.819 -6.684 1.00 0.00 C ATOM 794 C ASP A 50 0.376 5.464 -7.277 1.00 0.00 C ATOM 795 O ASP A 50 0.527 5.292 -8.492 1.00 0.00 O ATOM 796 CB ASP A 50 -0.867 7.296 -6.260 1.00 0.00 C ATOM 797 CG ASP A 50 -2.132 7.920 -5.747 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.149 7.897 -6.469 1.00 0.00 O ATOM 799 OD2 ASP A 50 -2.108 8.496 -4.640 1.00 0.00 O ATOM 0 H ASP A 50 -1.464 5.413 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.784 5.694 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.104 7.382 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.521 7.877 -7.115 1.00 0.00 H new ATOM 804 N ILE A 51 1.335 5.320 -6.409 1.00 0.00 N ATOM 805 CA ILE A 51 2.680 5.060 -6.814 1.00 0.00 C ATOM 806 C ILE A 51 2.875 3.586 -7.241 1.00 0.00 C ATOM 807 O ILE A 51 3.563 3.305 -8.230 1.00 0.00 O ATOM 808 CB ILE A 51 3.674 5.460 -5.706 1.00 0.00 C ATOM 809 CG1 ILE A 51 3.339 6.877 -5.199 1.00 0.00 C ATOM 810 CG2 ILE A 51 5.060 5.441 -6.260 1.00 0.00 C ATOM 811 CD1 ILE A 51 4.428 7.529 -4.389 1.00 0.00 C ATOM 0 H ILE A 51 1.203 5.380 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 51 2.886 5.676 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 51 3.602 4.756 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.113 7.511 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.434 6.827 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.767 5.723 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.295 4.439 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.131 6.147 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.104 8.521 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.640 6.922 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.330 7.617 -4.995 1.00 0.00 H new ATOM 823 N PHE A 52 2.226 2.683 -6.519 1.00 0.00 N ATOM 824 CA PHE A 52 2.254 1.224 -6.760 1.00 0.00 C ATOM 825 C PHE A 52 1.883 0.907 -8.212 1.00 0.00 C ATOM 826 O PHE A 52 2.592 0.162 -8.903 1.00 0.00 O ATOM 827 CB PHE A 52 1.270 0.538 -5.780 1.00 0.00 C ATOM 828 CG PHE A 52 1.254 -0.978 -5.769 1.00 0.00 C ATOM 829 CD1 PHE A 52 2.347 -1.699 -5.318 1.00 0.00 C ATOM 830 CD2 PHE A 52 0.130 -1.673 -6.179 1.00 0.00 C ATOM 831 CE1 PHE A 52 2.323 -3.081 -5.285 1.00 0.00 C ATOM 832 CE2 PHE A 52 0.096 -3.055 -6.144 1.00 0.00 C ATOM 833 CZ PHE A 52 1.194 -3.759 -5.695 1.00 0.00 C ATOM 0 H PHE A 52 1.644 2.941 -5.722 1.00 0.00 H new ATOM 0 HA PHE A 52 3.262 0.846 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.501 0.882 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.263 0.886 -6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.231 -1.174 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.733 -1.128 -6.531 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.187 -3.629 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.789 -3.582 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.170 -4.838 -5.665 1.00 0.00 H new ATOM 843 N LEU A 53 0.802 1.507 -8.680 1.00 0.00 N ATOM 844 CA LEU A 53 0.350 1.313 -10.057 1.00 0.00 C ATOM 845 C LEU A 53 1.178 2.122 -11.060 1.00 0.00 C ATOM 846 O LEU A 53 1.111 1.888 -12.263 1.00 0.00 O ATOM 847 CB LEU A 53 -1.156 1.617 -10.204 1.00 0.00 C ATOM 848 CG LEU A 53 -2.124 0.409 -10.132 1.00 0.00 C ATOM 849 CD1 LEU A 53 -1.961 -0.414 -8.890 1.00 0.00 C ATOM 850 CD2 LEU A 53 -3.555 0.841 -10.238 1.00 0.00 C ATOM 0 H LEU A 53 0.216 2.135 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 53 0.505 0.260 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.437 2.324 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.309 2.119 -11.160 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.858 -0.214 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.670 -1.242 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.945 -0.807 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.149 0.207 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.204 -0.033 -10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.792 1.520 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.712 1.351 -11.189 1.00 0.00 H new ATOM 862 N GLY A 54 1.984 3.042 -10.557 1.00 0.00 N ATOM 863 CA GLY A 54 2.801 3.873 -11.424 1.00 0.00 C ATOM 864 C GLY A 54 2.006 5.006 -12.021 1.00 0.00 C ATOM 865 O GLY A 54 2.353 5.547 -13.092 1.00 0.00 O ATOM 0 H GLY A 54 2.090 3.231 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.640 4.276 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.221 3.262 -12.223 1.00 0.00 H new ATOM 869 N SER A 55 0.974 5.403 -11.306 1.00 0.00 N ATOM 870 CA SER A 55 0.050 6.419 -11.740 1.00 0.00 C ATOM 871 C SER A 55 0.734 7.796 -11.807 1.00 0.00 C ATOM 872 O SER A 55 1.927 7.950 -11.497 1.00 0.00 O ATOM 873 CB SER A 55 -1.168 6.447 -10.783 1.00 0.00 C ATOM 874 OG SER A 55 -2.139 7.411 -11.176 1.00 0.00 O ATOM 0 H SER A 55 0.753 5.017 -10.388 1.00 0.00 H new ATOM 0 HA SER A 55 -0.295 6.181 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.629 5.460 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.828 6.668 -9.771 1.00 0.00 H new ATOM 0 HG SER A 55 -2.600 7.754 -10.382 1.00 0.00 H new ATOM 880 N LYS A 56 0.003 8.777 -12.260 1.00 0.00 N ATOM 881 CA LYS A 56 0.500 10.127 -12.305 1.00 0.00 C ATOM 882 C LYS A 56 -0.155 10.955 -11.235 1.00 0.00 C ATOM 883 O LYS A 56 0.044 12.142 -11.131 1.00 0.00 O ATOM 884 CB LYS A 56 0.460 10.758 -13.712 1.00 0.00 C ATOM 885 CG LYS A 56 1.601 10.259 -14.617 1.00 0.00 C ATOM 886 CD LYS A 56 1.444 8.792 -15.022 1.00 0.00 C ATOM 887 CE LYS A 56 2.795 8.133 -15.278 1.00 0.00 C ATOM 888 NZ LYS A 56 3.561 7.931 -14.006 1.00 0.00 N ATOM 0 H LYS A 56 -0.950 8.666 -12.607 1.00 0.00 H new ATOM 0 HA LYS A 56 1.566 10.098 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.497 10.530 -14.181 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.521 11.843 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.642 10.876 -15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.551 10.388 -14.099 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.918 8.251 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.830 8.726 -15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.644 7.172 -15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.378 8.751 -15.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.581 7.943 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.332 8.694 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.302 7.015 -13.587 1.00 0.00 H new ATOM 902 N SER A 57 -0.921 10.266 -10.408 1.00 0.00 N ATOM 903 CA SER A 57 -1.447 10.828 -9.200 1.00 0.00 C ATOM 904 C SER A 57 -0.428 10.534 -8.082 1.00 0.00 C ATOM 905 O SER A 57 -0.626 10.879 -6.896 1.00 0.00 O ATOM 906 CB SER A 57 -2.815 10.197 -8.902 1.00 0.00 C ATOM 907 OG SER A 57 -2.739 8.769 -8.928 1.00 0.00 O ATOM 0 H SER A 57 -1.191 9.295 -10.567 1.00 0.00 H new ATOM 0 HA SER A 57 -1.596 11.905 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.167 10.528 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.545 10.539 -9.636 1.00 0.00 H new ATOM 0 HG SER A 57 -3.159 8.404 -8.121 1.00 0.00 H new ATOM 913 N ALA A 58 0.666 9.875 -8.507 1.00 0.00 N ATOM 914 CA ALA A 58 1.779 9.508 -7.676 1.00 0.00 C ATOM 915 C ALA A 58 2.483 10.758 -7.225 1.00 0.00 C ATOM 916 O ALA A 58 3.029 11.509 -8.023 1.00 0.00 O ATOM 917 CB ALA A 58 2.724 8.598 -8.439 1.00 0.00 C ATOM 0 H ALA A 58 0.783 9.583 -9.477 1.00 0.00 H new ATOM 0 HA ALA A 58 1.425 8.963 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.564 8.327 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.194 7.696 -8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.095 9.117 -9.323 1.00 0.00 H new ATOM 923 N LYS A 59 2.479 10.951 -5.950 1.00 0.00 N ATOM 924 CA LYS A 59 2.953 12.168 -5.331 1.00 0.00 C ATOM 925 C LYS A 59 4.475 12.179 -5.189 1.00 0.00 C ATOM 926 O LYS A 59 5.089 13.219 -4.906 1.00 0.00 O ATOM 927 CB LYS A 59 2.207 12.308 -4.008 1.00 0.00 C ATOM 928 CG LYS A 59 0.695 12.347 -4.259 1.00 0.00 C ATOM 929 CD LYS A 59 -0.137 12.044 -3.036 1.00 0.00 C ATOM 930 CE LYS A 59 -1.636 12.038 -3.387 1.00 0.00 C ATOM 931 NZ LYS A 59 -1.983 11.059 -4.467 1.00 0.00 N ATOM 0 H LYS A 59 2.140 10.258 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 59 2.744 13.038 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.453 11.473 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.523 13.218 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.424 13.334 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.448 11.629 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.150 11.076 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.058 12.788 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.212 11.802 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.933 13.038 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.015 11.027 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.538 11.355 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.636 10.114 -4.204 1.00 0.00 H new ATOM 945 N ILE A 60 5.068 11.026 -5.411 1.00 0.00 N ATOM 946 CA ILE A 60 6.498 10.834 -5.422 1.00 0.00 C ATOM 947 C ILE A 60 6.773 9.815 -6.509 1.00 0.00 C ATOM 948 O ILE A 60 6.021 8.878 -6.662 1.00 0.00 O ATOM 949 CB ILE A 60 7.044 10.292 -4.056 1.00 0.00 C ATOM 950 CG1 ILE A 60 6.734 11.274 -2.917 1.00 0.00 C ATOM 951 CG2 ILE A 60 8.556 10.035 -4.134 1.00 0.00 C ATOM 952 CD1 ILE A 60 7.206 10.816 -1.568 1.00 0.00 C ATOM 0 H ILE A 60 4.548 10.168 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 60 6.995 11.788 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 60 6.542 9.347 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.195 12.235 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.657 11.439 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.911 9.660 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.760 9.298 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.071 10.965 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.949 11.565 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.725 9.871 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.287 10.679 -1.588 1.00 0.00 H new ATOM 964 N GLN A 61 7.794 10.014 -7.288 1.00 0.00 N ATOM 965 CA GLN A 61 8.108 9.074 -8.355 1.00 0.00 C ATOM 966 C GLN A 61 9.137 8.023 -7.867 1.00 0.00 C ATOM 967 O GLN A 61 10.083 7.697 -8.567 1.00 0.00 O ATOM 968 CB GLN A 61 8.641 9.835 -9.575 1.00 0.00 C ATOM 969 CG GLN A 61 7.737 10.972 -10.105 1.00 0.00 C ATOM 970 CD GLN A 61 6.368 10.526 -10.609 1.00 0.00 C ATOM 971 OE1 GLN A 61 6.198 10.195 -11.785 1.00 0.00 O ATOM 972 NE2 GLN A 61 5.382 10.561 -9.754 1.00 0.00 N ATOM 0 H GLN A 61 8.428 10.810 -7.216 1.00 0.00 H new ATOM 0 HA GLN A 61 7.199 8.545 -8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.613 10.258 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.806 9.121 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.594 11.703 -9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.258 11.482 -10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.554 10.839 -8.788 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.439 10.310 -10.052 1.00 0.00 H new ATOM 981 N SER A 62 8.929 7.487 -6.670 1.00 0.00 N ATOM 982 CA SER A 62 9.834 6.496 -6.085 1.00 0.00 C ATOM 983 C SER A 62 9.080 5.615 -5.091 1.00 0.00 C ATOM 984 O SER A 62 8.101 6.073 -4.473 1.00 0.00 O ATOM 985 CB SER A 62 10.996 7.186 -5.358 1.00 0.00 C ATOM 986 OG SER A 62 11.705 8.038 -6.223 1.00 0.00 O ATOM 0 H SER A 62 8.133 7.723 -6.077 1.00 0.00 H new ATOM 0 HA SER A 62 10.230 5.882 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.611 7.759 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.671 6.434 -4.951 1.00 0.00 H new ATOM 0 HG SER A 62 12.438 8.465 -5.733 1.00 0.00 H new ATOM 992 N GLY A 63 9.562 4.384 -4.906 1.00 0.00 N ATOM 993 CA GLY A 63 8.941 3.442 -3.986 1.00 0.00 C ATOM 994 C GLY A 63 7.753 2.769 -4.604 1.00 0.00 C ATOM 995 O GLY A 63 6.758 3.406 -4.813 1.00 0.00 O ATOM 0 H GLY A 63 10.385 4.020 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.671 2.690 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.633 3.966 -3.081 1.00 0.00 H new ATOM 999 N ILE A 64 7.882 1.462 -4.914 1.00 0.00 N ATOM 1000 CA ILE A 64 6.840 0.635 -5.609 1.00 0.00 C ATOM 1001 C ILE A 64 6.318 1.236 -6.898 1.00 0.00 C ATOM 1002 O ILE A 64 5.323 0.768 -7.440 1.00 0.00 O ATOM 1003 CB ILE A 64 5.646 0.109 -4.726 1.00 0.00 C ATOM 1004 CG1 ILE A 64 5.104 1.142 -3.708 1.00 0.00 C ATOM 1005 CG2 ILE A 64 5.969 -1.221 -4.093 1.00 0.00 C ATOM 1006 CD1 ILE A 64 3.970 0.638 -2.842 1.00 0.00 C ATOM 0 H ILE A 64 8.723 0.931 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 64 7.428 -0.249 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 64 4.817 -0.050 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.923 1.460 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.765 2.024 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.123 -1.553 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.170 -1.956 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.848 -1.117 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.654 1.428 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.131 0.348 -3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.307 -0.225 -2.267 1.00 0.00 H new ATOM 1018 N PHE A 65 7.069 2.188 -7.433 1.00 0.00 N ATOM 1019 CA PHE A 65 6.685 2.914 -8.613 1.00 0.00 C ATOM 1020 C PHE A 65 6.571 1.983 -9.792 1.00 0.00 C ATOM 1021 O PHE A 65 7.592 1.458 -10.292 1.00 0.00 O ATOM 1022 CB PHE A 65 7.687 4.021 -8.924 1.00 0.00 C ATOM 1023 CG PHE A 65 7.107 5.068 -9.803 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.142 4.983 -11.180 1.00 0.00 C ATOM 1025 CD2 PHE A 65 6.500 6.131 -9.223 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.567 5.975 -11.950 1.00 0.00 C ATOM 1027 CE2 PHE A 65 5.926 7.116 -9.948 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.951 7.047 -11.330 1.00 0.00 C ATOM 0 H PHE A 65 7.970 2.474 -7.048 1.00 0.00 H new ATOM 0 HA PHE A 65 5.713 3.369 -8.423 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.025 4.476 -7.993 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.565 3.590 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.620 4.140 -11.656 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.474 6.193 -8.145 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.598 5.914 -13.028 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.452 7.950 -9.453 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.492 7.826 -11.921 1.00 0.00 H new ATOM 1038 N GLY A 66 5.345 1.735 -10.193 1.00 0.00 N ATOM 1039 CA GLY A 66 5.071 0.886 -11.316 1.00 0.00 C ATOM 1040 C GLY A 66 5.513 -0.528 -11.056 1.00 0.00 C ATOM 1041 O GLY A 66 6.183 -1.150 -11.894 1.00 0.00 O ATOM 0 H GLY A 66 4.513 2.119 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.003 0.901 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.581 1.272 -12.199 1.00 0.00 H new ATOM 1045 N LYS A 67 5.259 -1.004 -9.854 1.00 0.00 N ATOM 1046 CA LYS A 67 5.597 -2.371 -9.507 1.00 0.00 C ATOM 1047 C LYS A 67 4.356 -3.181 -9.229 1.00 0.00 C ATOM 1048 O LYS A 67 4.418 -4.378 -9.019 1.00 0.00 O ATOM 1049 CB LYS A 67 6.607 -2.412 -8.348 1.00 0.00 C ATOM 1050 CG LYS A 67 7.934 -1.755 -8.721 1.00 0.00 C ATOM 1051 CD LYS A 67 8.661 -2.553 -9.805 1.00 0.00 C ATOM 1052 CE LYS A 67 9.610 -1.684 -10.613 1.00 0.00 C ATOM 1053 NZ LYS A 67 8.872 -0.649 -11.398 1.00 0.00 N ATOM 0 H LYS A 67 4.822 -0.469 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 67 6.086 -2.835 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.184 -1.906 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.784 -3.448 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.754 -0.739 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.566 -1.678 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.220 -3.367 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.929 -3.008 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.318 -1.197 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.191 -2.310 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.433 -0.381 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.956 -1.034 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.713 0.189 -10.804 1.00 0.00 H new ATOM 1067 N GLY A 68 3.232 -2.520 -9.264 1.00 0.00 N ATOM 1068 CA GLY A 68 1.982 -3.181 -9.086 1.00 0.00 C ATOM 1069 C GLY A 68 1.010 -2.734 -10.127 1.00 0.00 C ATOM 1070 O GLY A 68 -0.181 -2.744 -9.914 1.00 0.00 O ATOM 0 H GLY A 68 3.163 -1.514 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.121 -4.260 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.587 -2.966 -8.093 1.00 0.00 H new ATOM 1074 N SER A 69 1.538 -2.387 -11.284 1.00 0.00 N ATOM 1075 CA SER A 69 0.766 -1.860 -12.407 1.00 0.00 C ATOM 1076 C SER A 69 -0.128 -2.928 -13.056 1.00 0.00 C ATOM 1077 O SER A 69 -0.810 -2.667 -14.033 1.00 0.00 O ATOM 1078 CB SER A 69 1.733 -1.289 -13.432 1.00 0.00 C ATOM 1079 OG SER A 69 2.613 -0.373 -12.803 1.00 0.00 O ATOM 0 H SER A 69 2.536 -2.463 -11.480 1.00 0.00 H new ATOM 0 HA SER A 69 0.100 -1.083 -12.032 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.302 -2.094 -13.896 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.181 -0.789 -14.228 1.00 0.00 H new ATOM 0 HG SER A 69 2.157 0.485 -12.677 1.00 0.00 H new ATOM 1085 N ALA A 70 -0.112 -4.123 -12.502 1.00 0.00 N ATOM 1086 CA ALA A 70 -0.964 -5.181 -12.983 1.00 0.00 C ATOM 1087 C ALA A 70 -2.187 -5.276 -12.098 1.00 0.00 C ATOM 1088 O ALA A 70 -3.002 -6.185 -12.209 1.00 0.00 O ATOM 1089 CB ALA A 70 -0.214 -6.502 -13.058 1.00 0.00 C ATOM 0 H ALA A 70 0.485 -4.382 -11.716 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.286 -4.951 -13.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.884 -7.280 -13.424 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.632 -6.402 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.148 -6.772 -12.066 1.00 0.00 H new ATOM 1095 N TYR A 71 -2.292 -4.333 -11.219 1.00 0.00 N ATOM 1096 CA TYR A 71 -3.399 -4.226 -10.339 1.00 0.00 C ATOM 1097 C TYR A 71 -4.235 -3.062 -10.756 1.00 0.00 C ATOM 1098 O TYR A 71 -3.731 -2.102 -11.291 1.00 0.00 O ATOM 1099 CB TYR A 71 -2.927 -4.029 -8.890 1.00 0.00 C ATOM 1100 CG TYR A 71 -2.354 -5.296 -8.241 1.00 0.00 C ATOM 1101 CD1 TYR A 71 -1.157 -5.872 -8.679 1.00 0.00 C ATOM 1102 CD2 TYR A 71 -3.042 -5.936 -7.222 1.00 0.00 C ATOM 1103 CE1 TYR A 71 -0.669 -7.043 -8.109 1.00 0.00 C ATOM 1104 CE2 TYR A 71 -2.571 -7.107 -6.658 1.00 0.00 C ATOM 1105 CZ TYR A 71 -1.384 -7.656 -7.098 1.00 0.00 C ATOM 1106 OH TYR A 71 -0.948 -8.843 -6.550 1.00 0.00 O ATOM 0 H TYR A 71 -1.592 -3.602 -11.094 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.982 -5.146 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.167 -3.248 -8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.766 -3.674 -8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.601 -5.398 -9.475 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.967 -5.510 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.261 -7.470 -8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.132 -7.592 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 71 0.032 -8.855 -6.532 1.00 0.00 H new ATOM 1116 N SER A 72 -5.505 -3.174 -10.572 1.00 0.00 N ATOM 1117 CA SER A 72 -6.373 -2.062 -10.770 1.00 0.00 C ATOM 1118 C SER A 72 -6.391 -1.284 -9.451 1.00 0.00 C ATOM 1119 O SER A 72 -5.905 -1.803 -8.430 1.00 0.00 O ATOM 1120 CB SER A 72 -7.782 -2.568 -11.139 1.00 0.00 C ATOM 1121 OG SER A 72 -8.703 -1.496 -11.316 1.00 0.00 O ATOM 0 H SER A 72 -5.971 -4.034 -10.282 1.00 0.00 H new ATOM 0 HA SER A 72 -6.035 -1.420 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.728 -3.155 -12.056 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.145 -3.233 -10.356 1.00 0.00 H new ATOM 0 HG SER A 72 -9.584 -1.857 -11.550 1.00 0.00 H new ATOM 1127 N ARG A 73 -6.960 -0.074 -9.443 1.00 0.00 N ATOM 1128 CA ARG A 73 -7.064 0.731 -8.209 1.00 0.00 C ATOM 1129 C ARG A 73 -7.853 -0.075 -7.181 1.00 0.00 C ATOM 1130 O ARG A 73 -7.547 -0.091 -6.000 1.00 0.00 O ATOM 1131 CB ARG A 73 -7.793 2.058 -8.489 1.00 0.00 C ATOM 1132 CG ARG A 73 -7.821 3.024 -7.304 1.00 0.00 C ATOM 1133 CD ARG A 73 -6.427 3.525 -6.988 1.00 0.00 C ATOM 1134 NE ARG A 73 -6.384 4.401 -5.821 1.00 0.00 N ATOM 1135 CZ ARG A 73 -5.551 5.444 -5.681 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -4.787 5.847 -6.692 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -5.504 6.087 -4.547 1.00 0.00 N ATOM 0 H ARG A 73 -7.356 0.373 -10.270 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.066 0.960 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.312 2.552 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.818 1.840 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.473 3.867 -7.531 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.240 2.524 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.770 2.672 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.036 4.062 -7.852 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.033 4.207 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.829 5.362 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.159 6.641 -6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.099 5.797 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.872 6.880 -4.436 1.00 0.00 H new ATOM 1151 N HIS A 74 -8.812 -0.809 -7.712 1.00 0.00 N ATOM 1152 CA HIS A 74 -9.689 -1.696 -6.967 1.00 0.00 C ATOM 1153 C HIS A 74 -8.879 -2.788 -6.287 1.00 0.00 C ATOM 1154 O HIS A 74 -9.132 -3.154 -5.147 1.00 0.00 O ATOM 1155 CB HIS A 74 -10.682 -2.339 -7.970 1.00 0.00 C ATOM 1156 CG HIS A 74 -11.478 -3.511 -7.441 1.00 0.00 C ATOM 1157 ND1 HIS A 74 -11.161 -4.830 -7.724 1.00 0.00 N ATOM 1158 CD2 HIS A 74 -12.579 -3.552 -6.670 1.00 0.00 C ATOM 1159 CE1 HIS A 74 -12.034 -5.627 -7.151 1.00 0.00 C ATOM 1160 NE2 HIS A 74 -12.909 -4.879 -6.499 1.00 0.00 N ATOM 0 H HIS A 74 -9.010 -0.805 -8.713 1.00 0.00 H new ATOM 0 HA HIS A 74 -10.223 -1.134 -6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.379 -1.571 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.123 -2.668 -8.846 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -10.370 -5.136 -8.291 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -13.106 -2.703 -6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -12.037 -6.706 -7.203 1.00 0.00 H new ATOM 1169 N ASN A 75 -7.912 -3.272 -6.998 1.00 0.00 N ATOM 1170 CA ASN A 75 -7.151 -4.411 -6.571 1.00 0.00 C ATOM 1171 C ASN A 75 -6.100 -4.001 -5.587 1.00 0.00 C ATOM 1172 O ASN A 75 -6.002 -4.572 -4.506 1.00 0.00 O ATOM 1173 CB ASN A 75 -6.521 -5.143 -7.764 1.00 0.00 C ATOM 1174 CG ASN A 75 -7.530 -5.792 -8.700 1.00 0.00 C ATOM 1175 OD1 ASN A 75 -8.674 -5.326 -8.852 1.00 0.00 O ATOM 1176 ND2 ASN A 75 -7.111 -6.839 -9.341 1.00 0.00 N ATOM 0 H ASN A 75 -7.623 -2.889 -7.898 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.834 -5.105 -6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.917 -4.436 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.844 -5.910 -7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.728 -7.314 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.165 -7.187 -9.186 1.00 0.00 H new ATOM 1183 N ALA A 76 -5.345 -2.983 -5.945 1.00 0.00 N ATOM 1184 CA ALA A 76 -4.288 -2.482 -5.098 1.00 0.00 C ATOM 1185 C ALA A 76 -4.854 -2.035 -3.768 1.00 0.00 C ATOM 1186 O ALA A 76 -4.376 -2.457 -2.710 1.00 0.00 O ATOM 1187 CB ALA A 76 -3.566 -1.343 -5.772 1.00 0.00 C ATOM 0 H ALA A 76 -5.448 -2.483 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.573 -3.285 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.773 -0.978 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.133 -1.691 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.269 -0.535 -5.975 1.00 0.00 H new ATOM 1193 N GLU A 77 -5.917 -1.239 -3.813 1.00 0.00 N ATOM 1194 CA GLU A 77 -6.511 -0.771 -2.599 1.00 0.00 C ATOM 1195 C GLU A 77 -7.119 -1.870 -1.757 1.00 0.00 C ATOM 1196 O GLU A 77 -7.006 -1.819 -0.552 1.00 0.00 O ATOM 1197 CB GLU A 77 -7.475 0.409 -2.774 1.00 0.00 C ATOM 1198 CG GLU A 77 -6.775 1.712 -3.082 1.00 0.00 C ATOM 1199 CD GLU A 77 -7.576 2.927 -2.688 1.00 0.00 C ATOM 1200 OE1 GLU A 77 -8.004 3.000 -1.484 1.00 0.00 O ATOM 1201 OE2 GLU A 77 -7.712 3.850 -3.517 1.00 0.00 O ATOM 0 H GLU A 77 -6.368 -0.917 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.662 -0.378 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.175 0.181 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.063 0.527 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.817 1.733 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.560 1.758 -4.150 1.00 0.00 H new ATOM 1208 N ARG A 78 -7.685 -2.911 -2.373 1.00 0.00 N ATOM 1209 CA ARG A 78 -8.333 -3.949 -1.578 1.00 0.00 C ATOM 1210 C ARG A 78 -7.279 -4.731 -0.809 1.00 0.00 C ATOM 1211 O ARG A 78 -7.513 -5.214 0.296 1.00 0.00 O ATOM 1212 CB ARG A 78 -9.182 -4.898 -2.448 1.00 0.00 C ATOM 1213 CG ARG A 78 -10.017 -5.878 -1.628 1.00 0.00 C ATOM 1214 CD ARG A 78 -10.811 -6.851 -2.493 1.00 0.00 C ATOM 1215 NE ARG A 78 -11.747 -7.656 -1.676 1.00 0.00 N ATOM 1216 CZ ARG A 78 -12.402 -8.768 -2.086 1.00 0.00 C ATOM 1217 NH1 ARG A 78 -12.152 -9.316 -3.255 1.00 0.00 N ATOM 1218 NH2 ARG A 78 -13.284 -9.361 -1.297 1.00 0.00 N ATOM 0 H ARG A 78 -7.708 -3.054 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.013 -3.464 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.844 -4.306 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.524 -5.458 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.360 -6.442 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.705 -5.319 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.368 -6.298 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.126 -7.513 -3.023 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.913 -7.345 -0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.453 -8.903 -3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.657 -10.154 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.476 -8.981 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.772 -10.198 -1.616 1.00 0.00 H new ATOM 1232 N LEU A 79 -6.103 -4.785 -1.373 1.00 0.00 N ATOM 1233 CA LEU A 79 -5.026 -5.510 -0.792 1.00 0.00 C ATOM 1234 C LEU A 79 -4.408 -4.730 0.318 1.00 0.00 C ATOM 1235 O LEU A 79 -4.191 -5.267 1.388 1.00 0.00 O ATOM 1236 CB LEU A 79 -4.006 -5.765 -1.810 1.00 0.00 C ATOM 1237 CG LEU A 79 -3.129 -6.960 -1.585 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -2.317 -7.076 -2.755 1.00 0.00 C ATOM 1239 CD2 LEU A 79 -2.215 -6.866 -0.385 1.00 0.00 C ATOM 0 H LEU A 79 -5.872 -4.322 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.414 -6.450 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.504 -5.882 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.370 -4.883 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.776 -7.816 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.652 -7.933 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.955 -7.214 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.724 -6.170 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.622 -7.777 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.551 -6.009 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.812 -6.743 0.519 1.00 0.00 H new ATOM 1251 N PHE A 80 -4.105 -3.458 0.074 1.00 0.00 N ATOM 1252 CA PHE A 80 -3.550 -2.615 1.130 1.00 0.00 C ATOM 1253 C PHE A 80 -4.509 -2.535 2.292 1.00 0.00 C ATOM 1254 O PHE A 80 -4.111 -2.335 3.439 1.00 0.00 O ATOM 1255 CB PHE A 80 -3.169 -1.220 0.635 1.00 0.00 C ATOM 1256 CG PHE A 80 -1.882 -1.139 -0.150 1.00 0.00 C ATOM 1257 CD1 PHE A 80 -0.680 -0.918 0.503 1.00 0.00 C ATOM 1258 CD2 PHE A 80 -1.873 -1.258 -1.527 1.00 0.00 C ATOM 1259 CE1 PHE A 80 0.503 -0.819 -0.206 1.00 0.00 C ATOM 1260 CE2 PHE A 80 -0.696 -1.157 -2.243 1.00 0.00 C ATOM 1261 CZ PHE A 80 0.493 -0.937 -1.581 1.00 0.00 C ATOM 0 H PHE A 80 -4.231 -2.995 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.625 -3.084 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.979 -0.841 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.092 -0.556 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.667 -0.822 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.801 -1.433 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.433 -0.650 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.707 -1.250 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.415 -0.857 -2.137 1.00 0.00 H new ATOM 1271 N LYS A 81 -5.762 -2.820 2.005 1.00 0.00 N ATOM 1272 CA LYS A 81 -6.755 -2.789 3.062 1.00 0.00 C ATOM 1273 C LYS A 81 -6.762 -4.126 3.775 1.00 0.00 C ATOM 1274 O LYS A 81 -7.057 -4.211 4.971 1.00 0.00 O ATOM 1275 CB LYS A 81 -8.158 -2.366 2.583 1.00 0.00 C ATOM 1276 CG LYS A 81 -8.188 -0.964 1.973 1.00 0.00 C ATOM 1277 CD LYS A 81 -9.591 -0.518 1.580 1.00 0.00 C ATOM 1278 CE LYS A 81 -9.554 0.546 0.471 1.00 0.00 C ATOM 1279 NZ LYS A 81 -8.711 1.738 0.792 1.00 0.00 N ATOM 0 H LYS A 81 -6.112 -3.069 1.080 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.470 -2.009 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.515 -3.084 1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.849 -2.404 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.773 -0.253 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.545 -0.942 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.166 -1.379 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.104 -0.117 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.181 0.087 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.572 0.879 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.614 2.333 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.162 2.288 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.770 1.424 1.104 1.00 0.00 H new ATOM 1293 N LYS A 82 -6.356 -5.183 3.066 1.00 0.00 N ATOM 1294 CA LYS A 82 -6.236 -6.455 3.708 1.00 0.00 C ATOM 1295 C LYS A 82 -5.009 -6.411 4.596 1.00 0.00 C ATOM 1296 O LYS A 82 -5.014 -6.896 5.703 1.00 0.00 O ATOM 1297 CB LYS A 82 -6.137 -7.601 2.695 1.00 0.00 C ATOM 1298 CG LYS A 82 -5.797 -8.917 3.358 1.00 0.00 C ATOM 1299 CD LYS A 82 -5.788 -10.065 2.406 1.00 0.00 C ATOM 1300 CE LYS A 82 -5.133 -11.289 3.040 1.00 0.00 C ATOM 1301 NZ LYS A 82 -5.797 -11.753 4.278 1.00 0.00 N ATOM 0 H LYS A 82 -6.115 -5.167 2.075 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.130 -6.648 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.084 -7.697 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.376 -7.363 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.818 -8.837 3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.519 -9.115 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.809 -10.306 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.250 -9.787 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.129 -12.103 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.092 -11.056 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.214 -12.485 4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.915 -10.951 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.730 -12.149 4.044 1.00 0.00 H new ATOM 1315 N LEU A 83 -3.980 -5.763 4.100 1.00 0.00 N ATOM 1316 CA LEU A 83 -2.753 -5.587 4.827 1.00 0.00 C ATOM 1317 C LEU A 83 -2.933 -4.884 6.148 1.00 0.00 C ATOM 1318 O LEU A 83 -2.255 -5.226 7.110 1.00 0.00 O ATOM 1319 CB LEU A 83 -1.760 -4.869 3.992 1.00 0.00 C ATOM 1320 CG LEU A 83 -1.329 -5.634 2.776 1.00 0.00 C ATOM 1321 CD1 LEU A 83 -0.412 -4.810 1.970 1.00 0.00 C ATOM 1322 CD2 LEU A 83 -0.670 -6.954 3.146 1.00 0.00 C ATOM 0 H LEU A 83 -3.976 -5.341 3.171 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.386 -6.587 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.184 -3.915 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.883 -4.644 4.599 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.218 -5.867 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.101 -5.369 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.920 -3.897 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.465 -4.554 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.372 -7.479 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.210 -6.762 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.375 -7.569 3.705 1.00 0.00 H new ATOM 1334 N ILE A 84 -3.830 -3.898 6.206 1.00 0.00 N ATOM 1335 CA ILE A 84 -4.083 -3.211 7.463 1.00 0.00 C ATOM 1336 C ILE A 84 -4.934 -4.063 8.411 1.00 0.00 C ATOM 1337 O ILE A 84 -4.868 -3.905 9.633 1.00 0.00 O ATOM 1338 CB ILE A 84 -4.643 -1.749 7.281 1.00 0.00 C ATOM 1339 CG1 ILE A 84 -6.019 -1.674 6.580 1.00 0.00 C ATOM 1340 CG2 ILE A 84 -3.645 -0.897 6.532 1.00 0.00 C ATOM 1341 CD1 ILE A 84 -7.218 -1.935 7.477 1.00 0.00 C ATOM 0 H ILE A 84 -4.380 -3.566 5.414 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.112 -3.078 7.939 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.795 -1.367 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.128 -0.686 6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.033 -2.396 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.044 0.110 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.711 -0.854 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.459 -1.332 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.134 -1.859 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.142 -2.935 7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.239 -1.198 8.280 1.00 0.00 H new ATOM 1353 N LEU A 85 -5.734 -4.959 7.836 1.00 0.00 N ATOM 1354 CA LEU A 85 -6.520 -5.895 8.626 1.00 0.00 C ATOM 1355 C LEU A 85 -5.652 -7.009 9.202 1.00 0.00 C ATOM 1356 O LEU A 85 -5.698 -7.289 10.403 1.00 0.00 O ATOM 1357 CB LEU A 85 -7.653 -6.474 7.800 1.00 0.00 C ATOM 1358 CG LEU A 85 -8.784 -5.505 7.553 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -9.679 -5.996 6.430 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -9.607 -5.317 8.824 1.00 0.00 C ATOM 0 H LEU A 85 -5.853 -5.054 6.827 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.947 -5.342 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.257 -6.808 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.046 -7.355 8.307 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.352 -4.548 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.487 -5.282 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.094 -6.094 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.099 -6.965 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.419 -4.616 8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.022 -6.276 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.969 -4.925 9.616 1.00 0.00 H new ATOM 1372 N ASP A 86 -4.846 -7.616 8.334 1.00 0.00 N ATOM 1373 CA ASP A 86 -3.929 -8.708 8.702 1.00 0.00 C ATOM 1374 C ASP A 86 -2.778 -8.178 9.556 1.00 0.00 C ATOM 1375 O ASP A 86 -2.119 -8.937 10.280 1.00 0.00 O ATOM 1376 CB ASP A 86 -3.376 -9.424 7.444 1.00 0.00 C ATOM 1377 CG ASP A 86 -4.371 -10.335 6.709 1.00 0.00 C ATOM 1378 OD1 ASP A 86 -5.415 -9.857 6.223 1.00 0.00 O ATOM 1379 OD2 ASP A 86 -4.081 -11.522 6.524 1.00 0.00 O ATOM 0 H ASP A 86 -4.806 -7.367 7.346 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.495 -9.435 9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.018 -8.668 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.512 -10.021 7.737 1.00 0.00 H new ATOM 1384 N LYS A 87 -2.498 -6.871 9.408 1.00 0.00 N ATOM 1385 CA LYS A 87 -1.549 -6.131 10.234 1.00 0.00 C ATOM 1386 C LYS A 87 -0.149 -6.261 9.810 1.00 0.00 C ATOM 1387 O LYS A 87 0.793 -6.069 10.585 1.00 0.00 O ATOM 1388 CB LYS A 87 -1.734 -6.297 11.726 1.00 0.00 C ATOM 1389 CG LYS A 87 -2.871 -5.454 12.242 1.00 0.00 C ATOM 1390 CD LYS A 87 -2.916 -5.404 13.746 1.00 0.00 C ATOM 1391 CE LYS A 87 -3.877 -4.324 14.205 1.00 0.00 C ATOM 1392 NZ LYS A 87 -3.533 -3.009 13.604 1.00 0.00 N ATOM 0 H LYS A 87 -2.939 -6.294 8.692 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.815 -5.092 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.925 -7.345 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.813 -6.021 12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.775 -4.441 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.814 -5.852 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.229 -6.371 14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.919 -5.206 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.895 -4.598 13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.851 -4.248 15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.043 -2.254 14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.509 -2.848 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.807 -3.004 12.601 1.00 0.00 H new ATOM 1406 N ILE A 88 -0.004 -6.564 8.571 1.00 0.00 N ATOM 1407 CA ILE A 88 1.248 -6.443 7.915 1.00 0.00 C ATOM 1408 C ILE A 88 1.501 -4.928 7.809 1.00 0.00 C ATOM 1409 O ILE A 88 2.605 -4.425 8.045 1.00 0.00 O ATOM 1410 CB ILE A 88 1.200 -7.111 6.508 1.00 0.00 C ATOM 1411 CG1 ILE A 88 1.264 -8.655 6.577 1.00 0.00 C ATOM 1412 CG2 ILE A 88 2.283 -6.581 5.579 1.00 0.00 C ATOM 1413 CD1 ILE A 88 0.050 -9.336 7.155 1.00 0.00 C ATOM 0 H ILE A 88 -0.759 -6.907 7.977 1.00 0.00 H new ATOM 0 HA ILE A 88 2.048 -6.945 8.459 1.00 0.00 H new ATOM 0 HB ILE A 88 0.231 -6.837 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.428 -9.039 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.133 -8.938 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.207 -7.077 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.155 -5.507 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.263 -6.779 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.204 -10.415 7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.108 -8.992 8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.825 -9.094 6.551 1.00 0.00 H new ATOM 1425 N LEU A 89 0.424 -4.221 7.512 1.00 0.00 N ATOM 1426 CA LEU A 89 0.399 -2.778 7.494 1.00 0.00 C ATOM 1427 C LEU A 89 -0.460 -2.309 8.628 1.00 0.00 C ATOM 1428 O LEU A 89 -1.385 -3.013 9.027 1.00 0.00 O ATOM 1429 CB LEU A 89 -0.172 -2.239 6.173 1.00 0.00 C ATOM 1430 CG LEU A 89 0.815 -1.968 5.039 1.00 0.00 C ATOM 1431 CD1 LEU A 89 1.741 -0.861 5.451 1.00 0.00 C ATOM 1432 CD2 LEU A 89 1.606 -3.201 4.689 1.00 0.00 C ATOM 0 H LEU A 89 -0.472 -4.647 7.273 1.00 0.00 H new ATOM 0 HA LEU A 89 1.420 -2.408 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.913 -2.951 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.701 -1.310 6.389 1.00 0.00 H new ATOM 0 HG LEU A 89 0.254 -1.676 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.449 -0.661 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.162 0.039 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.285 -1.156 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.298 -2.972 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.167 -3.533 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.926 -3.992 4.372 1.00 0.00 H new ATOM 1444 N ASP A 90 -0.164 -1.161 9.156 1.00 0.00 N ATOM 1445 CA ASP A 90 -0.960 -0.628 10.229 1.00 0.00 C ATOM 1446 C ASP A 90 -1.167 0.836 9.984 1.00 0.00 C ATOM 1447 O ASP A 90 -0.212 1.613 9.996 1.00 0.00 O ATOM 1448 CB ASP A 90 -0.276 -0.824 11.577 1.00 0.00 C ATOM 1449 CG ASP A 90 -1.232 -1.335 12.636 1.00 0.00 C ATOM 1450 OD1 ASP A 90 -2.250 -0.683 12.923 1.00 0.00 O ATOM 1451 OD2 ASP A 90 -1.005 -2.442 13.186 1.00 0.00 O ATOM 0 H ASP A 90 0.618 -0.574 8.866 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.914 -1.155 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.549 -1.528 11.465 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.154 0.122 11.905 1.00 0.00 H new ATOM 1456 N GLU A 91 -2.369 1.205 9.673 1.00 0.00 N ATOM 1457 CA GLU A 91 -2.681 2.597 9.464 1.00 0.00 C ATOM 1458 C GLU A 91 -3.240 3.266 10.703 1.00 0.00 C ATOM 1459 O GLU A 91 -3.942 2.645 11.506 1.00 0.00 O ATOM 1460 CB GLU A 91 -3.602 2.848 8.257 1.00 0.00 C ATOM 1461 CG GLU A 91 -2.945 2.597 6.910 1.00 0.00 C ATOM 1462 CD GLU A 91 -3.751 3.141 5.747 1.00 0.00 C ATOM 1463 OE1 GLU A 91 -4.804 2.570 5.435 1.00 0.00 O ATOM 1464 OE2 GLU A 91 -3.304 4.155 5.109 1.00 0.00 O ATOM 0 H GLU A 91 -3.156 0.567 9.556 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.720 3.058 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.480 2.209 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.954 3.879 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.955 3.054 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.802 1.525 6.776 1.00 0.00 H new ATOM 1471 N ASP A 92 -2.930 4.534 10.829 1.00 0.00 N ATOM 1472 CA ASP A 92 -3.391 5.372 11.931 1.00 0.00 C ATOM 1473 C ASP A 92 -4.595 6.148 11.479 1.00 0.00 C ATOM 1474 O ASP A 92 -4.664 6.569 10.315 1.00 0.00 O ATOM 1475 CB ASP A 92 -2.288 6.351 12.377 1.00 0.00 C ATOM 1476 CG ASP A 92 -2.788 7.397 13.374 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -3.208 7.009 14.474 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -2.753 8.617 13.041 1.00 0.00 O ATOM 0 H ASP A 92 -2.340 5.030 10.161 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.645 4.734 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.470 5.788 12.828 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.882 6.857 11.501 1.00 0.00 H new ATOM 1483 N LEU A 93 -5.539 6.326 12.367 1.00 0.00 N ATOM 1484 CA LEU A 93 -6.754 7.014 12.045 1.00 0.00 C ATOM 1485 C LEU A 93 -6.728 8.403 12.614 1.00 0.00 C ATOM 1486 O LEU A 93 -6.986 8.628 13.797 1.00 0.00 O ATOM 1487 CB LEU A 93 -7.992 6.261 12.519 1.00 0.00 C ATOM 1488 CG LEU A 93 -8.215 4.863 11.924 1.00 0.00 C ATOM 1489 CD1 LEU A 93 -9.455 4.224 12.526 1.00 0.00 C ATOM 1490 CD2 LEU A 93 -8.339 4.929 10.405 1.00 0.00 C ATOM 0 H LEU A 93 -5.484 5.997 13.331 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.817 7.072 10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.938 6.165 13.603 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.868 6.870 12.296 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.348 4.249 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.600 3.234 12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.331 4.135 13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.325 4.844 12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.496 3.926 10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.185 5.562 10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.425 5.346 9.983 1.00 0.00 H new ATOM 1502 N TYR A 94 -6.461 9.313 11.762 1.00 0.00 N ATOM 1503 CA TYR A 94 -6.305 10.674 12.100 1.00 0.00 C ATOM 1504 C TYR A 94 -7.498 11.423 11.598 1.00 0.00 C ATOM 1505 O TYR A 94 -7.758 11.476 10.397 1.00 0.00 O ATOM 1506 CB TYR A 94 -5.015 11.207 11.474 1.00 0.00 C ATOM 1507 CG TYR A 94 -4.830 12.699 11.574 1.00 0.00 C ATOM 1508 CD1 TYR A 94 -4.455 13.302 12.765 1.00 0.00 C ATOM 1509 CD2 TYR A 94 -5.043 13.505 10.468 1.00 0.00 C ATOM 1510 CE1 TYR A 94 -4.300 14.672 12.846 1.00 0.00 C ATOM 1511 CE2 TYR A 94 -4.891 14.865 10.539 1.00 0.00 C ATOM 1512 CZ TYR A 94 -4.520 15.446 11.727 1.00 0.00 C ATOM 1513 OH TYR A 94 -4.376 16.806 11.795 1.00 0.00 O ATOM 0 H TYR A 94 -6.340 9.124 10.767 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.234 10.800 13.180 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.167 10.718 11.953 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.995 10.923 10.422 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.282 12.693 13.640 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.335 13.053 9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.009 15.133 13.778 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.062 15.477 9.666 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.174 17.238 11.426 1.00 0.00 H new ATOM 1523 N ILE A 95 -8.239 11.958 12.490 1.00 0.00 N ATOM 1524 CA ILE A 95 -9.390 12.683 12.135 1.00 0.00 C ATOM 1525 C ILE A 95 -9.238 14.097 12.680 1.00 0.00 C ATOM 1526 O ILE A 95 -8.656 14.296 13.745 1.00 0.00 O ATOM 1527 CB ILE A 95 -10.651 11.950 12.680 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -11.912 12.463 12.060 1.00 0.00 C ATOM 1529 CG2 ILE A 95 -10.759 12.091 14.169 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -13.111 11.634 12.436 1.00 0.00 C ATOM 0 H ILE A 95 -8.061 11.904 13.493 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.512 12.748 11.054 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.529 10.900 12.416 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.074 13.495 12.372 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.804 12.471 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.649 11.569 14.520 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.876 11.660 14.640 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.831 13.147 14.430 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -14.002 12.046 11.962 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.963 10.607 12.101 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.238 11.647 13.519 1.00 0.00 H new ATOM 1542 N ASN A 96 -9.673 15.068 11.935 1.00 0.00 N ATOM 1543 CA ASN A 96 -9.538 16.448 12.389 1.00 0.00 C ATOM 1544 C ASN A 96 -10.831 16.870 13.007 1.00 0.00 C ATOM 1545 O ASN A 96 -11.767 16.090 13.093 1.00 0.00 O ATOM 1546 CB ASN A 96 -9.241 17.439 11.239 1.00 0.00 C ATOM 1547 CG ASN A 96 -8.151 17.017 10.311 1.00 0.00 C ATOM 1548 OD1 ASN A 96 -6.978 17.261 10.539 1.00 0.00 O ATOM 1549 ND2 ASN A 96 -8.559 16.439 9.227 1.00 0.00 N ATOM 0 H ASN A 96 -10.118 14.951 11.025 1.00 0.00 H new ATOM 0 HA ASN A 96 -8.702 16.473 13.088 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.153 17.586 10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -8.977 18.405 11.670 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -7.886 16.164 8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -9.553 16.259 9.088 1.00 0.00 H new ATOM 1556 N ALA A 97 -10.912 18.143 13.309 1.00 0.00 N ATOM 1557 CA ALA A 97 -12.087 18.805 13.884 1.00 0.00 C ATOM 1558 C ALA A 97 -13.206 18.973 12.830 1.00 0.00 C ATOM 1559 O ALA A 97 -14.056 19.844 12.934 1.00 0.00 O ATOM 1560 CB ALA A 97 -11.623 20.161 14.322 1.00 0.00 C ATOM 0 H ALA A 97 -10.134 18.785 13.159 1.00 0.00 H new ATOM 0 HA ALA A 97 -12.494 18.215 14.705 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -12.458 20.707 14.762 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.830 20.053 15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.243 20.711 13.461 1.00 0.00 H new ATOM 1566 N ASN A 98 -13.144 18.169 11.815 1.00 0.00 N ATOM 1567 CA ASN A 98 -14.088 18.191 10.720 1.00 0.00 C ATOM 1568 C ASN A 98 -14.780 16.861 10.649 1.00 0.00 C ATOM 1569 O ASN A 98 -15.605 16.644 9.775 1.00 0.00 O ATOM 1570 CB ASN A 98 -13.344 18.388 9.398 1.00 0.00 C ATOM 1571 CG ASN A 98 -12.554 19.650 9.286 1.00 0.00 C ATOM 1572 OD1 ASN A 98 -11.510 19.672 8.647 1.00 0.00 O ATOM 1573 ND2 ASN A 98 -13.015 20.692 9.880 1.00 0.00 N ATOM 0 H ASN A 98 -12.420 17.458 11.714 1.00 0.00 H new ATOM 0 HA ASN A 98 -14.799 19.001 10.882 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -12.670 17.544 9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.070 18.361 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.507 21.575 9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.889 20.636 10.404 1.00 0.00 H new ATOM 1580 N ASP A 99 -14.358 15.944 11.541 1.00 0.00 N ATOM 1581 CA ASP A 99 -14.802 14.532 11.538 1.00 0.00 C ATOM 1582 C ASP A 99 -14.441 13.865 10.206 1.00 0.00 C ATOM 1583 O ASP A 99 -14.994 12.847 9.800 1.00 0.00 O ATOM 1584 CB ASP A 99 -16.295 14.382 11.884 1.00 0.00 C ATOM 1585 CG ASP A 99 -16.584 14.707 13.339 1.00 0.00 C ATOM 1586 OD1 ASP A 99 -16.648 15.911 13.684 1.00 0.00 O ATOM 1587 OD2 ASP A 99 -16.711 13.757 14.146 1.00 0.00 O ATOM 0 H ASP A 99 -13.697 16.160 12.287 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.266 14.011 12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.882 15.040 11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.614 13.362 11.671 1.00 0.00 H new ATOM 1592 N GLN A 100 -13.416 14.418 9.589 1.00 0.00 N ATOM 1593 CA GLN A 100 -12.871 13.914 8.358 1.00 0.00 C ATOM 1594 C GLN A 100 -11.651 13.119 8.714 1.00 0.00 C ATOM 1595 O GLN A 100 -10.642 13.693 9.179 1.00 0.00 O ATOM 1596 CB GLN A 100 -12.502 15.052 7.395 1.00 0.00 C ATOM 1597 CG GLN A 100 -13.692 15.897 6.950 1.00 0.00 C ATOM 1598 CD GLN A 100 -13.335 16.971 5.928 1.00 0.00 C ATOM 1599 OE1 GLN A 100 -14.141 17.332 5.097 1.00 0.00 O ATOM 1600 NE2 GLN A 100 -12.134 17.499 5.995 1.00 0.00 N ATOM 0 H GLN A 100 -12.934 15.245 9.941 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.611 13.299 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.770 15.699 7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.021 14.627 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.452 15.242 6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.135 16.373 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.474 17.178 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.861 18.230 5.338 1.00 0.00 H new ATOM 1609 N ALA A 101 -11.760 11.827 8.583 1.00 0.00 N ATOM 1610 CA ALA A 101 -10.706 10.920 8.961 1.00 0.00 C ATOM 1611 C ALA A 101 -9.861 10.535 7.783 1.00 0.00 C ATOM 1612 O ALA A 101 -10.360 10.375 6.671 1.00 0.00 O ATOM 1613 CB ALA A 101 -11.286 9.670 9.607 1.00 0.00 C ATOM 0 H ALA A 101 -12.589 11.367 8.208 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.072 11.438 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.476 8.996 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.850 9.949 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.948 9.169 8.901 1.00 0.00 H new ATOM 1619 N ILE A 102 -8.599 10.413 8.027 1.00 0.00 N ATOM 1620 CA ILE A 102 -7.668 9.944 7.055 1.00 0.00 C ATOM 1621 C ILE A 102 -6.821 8.867 7.718 1.00 0.00 C ATOM 1622 O ILE A 102 -6.571 8.925 8.928 1.00 0.00 O ATOM 1623 CB ILE A 102 -6.769 11.095 6.464 1.00 0.00 C ATOM 1624 CG1 ILE A 102 -5.916 10.609 5.288 1.00 0.00 C ATOM 1625 CG2 ILE A 102 -5.875 11.696 7.512 1.00 0.00 C ATOM 1626 CD1 ILE A 102 -6.717 10.174 4.091 1.00 0.00 C ATOM 0 H ILE A 102 -8.177 10.641 8.927 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.213 9.539 6.202 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.456 11.861 6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.239 11.409 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.297 9.776 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.271 12.486 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.484 12.114 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.221 10.925 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.042 9.844 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.375 9.352 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.316 11.010 3.730 1.00 0.00 H new ATOM 1638 N ALA A 103 -6.449 7.884 6.968 1.00 0.00 N ATOM 1639 CA ALA A 103 -5.642 6.813 7.464 1.00 0.00 C ATOM 1640 C ALA A 103 -4.304 6.876 6.784 1.00 0.00 C ATOM 1641 O ALA A 103 -4.240 7.209 5.594 1.00 0.00 O ATOM 1642 CB ALA A 103 -6.321 5.479 7.189 1.00 0.00 C ATOM 0 H ALA A 103 -6.698 7.798 5.983 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.510 6.907 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.699 4.669 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.291 5.456 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.459 5.356 6.115 1.00 0.00 H new ATOM 1648 N TYR A 104 -3.241 6.654 7.524 1.00 0.00 N ATOM 1649 CA TYR A 104 -1.920 6.632 6.929 1.00 0.00 C ATOM 1650 C TYR A 104 -1.084 5.482 7.395 1.00 0.00 C ATOM 1651 O TYR A 104 -1.291 4.959 8.475 1.00 0.00 O ATOM 1652 CB TYR A 104 -1.170 7.964 6.983 1.00 0.00 C ATOM 1653 CG TYR A 104 -1.167 8.614 8.311 1.00 0.00 C ATOM 1654 CD1 TYR A 104 -0.190 8.340 9.243 1.00 0.00 C ATOM 1655 CD2 TYR A 104 -2.153 9.512 8.626 1.00 0.00 C ATOM 1656 CE1 TYR A 104 -0.201 8.950 10.471 1.00 0.00 C ATOM 1657 CE2 TYR A 104 -2.182 10.129 9.836 1.00 0.00 C ATOM 1658 CZ TYR A 104 -1.204 9.844 10.769 1.00 0.00 C ATOM 1659 OH TYR A 104 -1.211 10.481 11.990 1.00 0.00 O ATOM 0 H TYR A 104 -3.262 6.487 8.530 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.112 6.468 5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.139 7.798 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.616 8.647 6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.594 7.637 9.004 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.921 9.733 7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.569 8.731 11.196 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.964 10.837 10.067 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.864 10.050 12.580 1.00 0.00 H new ATOM 1669 N VAL A 105 -0.044 5.227 6.657 1.00 0.00 N ATOM 1670 CA VAL A 105 0.682 4.001 6.721 1.00 0.00 C ATOM 1671 C VAL A 105 1.881 4.018 7.620 1.00 0.00 C ATOM 1672 O VAL A 105 2.685 4.954 7.650 1.00 0.00 O ATOM 1673 CB VAL A 105 1.091 3.567 5.275 1.00 0.00 C ATOM 1674 CG1 VAL A 105 2.259 2.587 5.238 1.00 0.00 C ATOM 1675 CG2 VAL A 105 -0.089 2.948 4.612 1.00 0.00 C ATOM 0 H VAL A 105 0.330 5.888 5.976 1.00 0.00 H new ATOM 0 HA VAL A 105 0.006 3.275 7.173 1.00 0.00 H new ATOM 0 HB VAL A 105 1.422 4.464 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.486 2.331 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.134 3.046 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.993 1.683 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.181 2.640 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.412 2.077 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.902 3.673 4.565 1.00 0.00 H new ATOM 1685 N MET A 106 1.923 2.954 8.381 1.00 0.00 N ATOM 1686 CA MET A 106 2.990 2.572 9.254 1.00 0.00 C ATOM 1687 C MET A 106 3.098 1.060 9.112 1.00 0.00 C ATOM 1688 O MET A 106 2.211 0.433 8.500 1.00 0.00 O ATOM 1689 CB MET A 106 2.685 2.938 10.722 1.00 0.00 C ATOM 1690 CG MET A 106 2.493 4.428 10.986 1.00 0.00 C ATOM 1691 SD MET A 106 2.153 4.804 12.720 1.00 0.00 S ATOM 1692 CE MET A 106 0.614 3.904 12.975 1.00 0.00 C ATOM 0 H MET A 106 1.152 2.286 8.404 1.00 0.00 H new ATOM 0 HA MET A 106 3.913 3.089 8.992 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.784 2.410 11.033 1.00 0.00 H new ATOM 0 HB3 MET A 106 3.500 2.575 11.349 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.389 4.964 10.673 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.671 4.796 10.373 1.00 0.00 H new ATOM 0 HE1 MET A 106 0.106 4.294 13.857 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.028 4.027 12.103 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.831 2.846 13.120 1.00 0.00 H new ATOM 1702 N LEU A 107 4.133 0.471 9.630 1.00 0.00 N ATOM 1703 CA LEU A 107 4.302 -0.966 9.518 1.00 0.00 C ATOM 1704 C LEU A 107 3.663 -1.635 10.711 1.00 0.00 C ATOM 1705 O LEU A 107 3.818 -1.166 11.836 1.00 0.00 O ATOM 1706 CB LEU A 107 5.793 -1.381 9.386 1.00 0.00 C ATOM 1707 CG LEU A 107 6.530 -1.029 8.061 1.00 0.00 C ATOM 1708 CD1 LEU A 107 6.724 0.473 7.879 1.00 0.00 C ATOM 1709 CD2 LEU A 107 7.867 -1.753 7.985 1.00 0.00 C ATOM 0 H LEU A 107 4.877 0.952 10.135 1.00 0.00 H new ATOM 0 HA LEU A 107 3.810 -1.294 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.343 -0.921 10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.854 -2.460 9.527 1.00 0.00 H new ATOM 0 HG LEU A 107 5.893 -1.368 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.243 0.662 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.752 0.966 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.316 0.866 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 107 8.368 -1.495 7.052 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.491 -1.454 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.700 -2.830 8.022 1.00 0.00 H new ATOM 1721 N GLY A 108 2.950 -2.709 10.467 1.00 0.00 N ATOM 1722 CA GLY A 108 2.243 -3.373 11.528 1.00 0.00 C ATOM 1723 C GLY A 108 3.059 -4.458 12.172 1.00 0.00 C ATOM 1724 O GLY A 108 4.198 -4.732 11.762 1.00 0.00 O ATOM 0 H GLY A 108 2.846 -3.137 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.957 -2.641 12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.321 -3.801 11.134 1.00 0.00 H new ATOM 1728 N ASN A 109 2.461 -5.128 13.134 1.00 0.00 N ATOM 1729 CA ASN A 109 3.148 -6.167 13.909 1.00 0.00 C ATOM 1730 C ASN A 109 3.426 -7.420 13.078 1.00 0.00 C ATOM 1731 O ASN A 109 4.194 -8.295 13.484 1.00 0.00 O ATOM 1732 CB ASN A 109 2.363 -6.534 15.187 1.00 0.00 C ATOM 1733 CG ASN A 109 0.985 -7.123 14.910 1.00 0.00 C ATOM 1734 OD1 ASN A 109 0.014 -6.405 14.791 1.00 0.00 O ATOM 1735 ND2 ASN A 109 0.891 -8.428 14.833 1.00 0.00 N ATOM 0 H ASN A 109 1.490 -4.977 13.408 1.00 0.00 H new ATOM 0 HA ASN A 109 4.109 -5.745 14.204 1.00 0.00 H new ATOM 0 HB2 ASN A 109 2.945 -7.250 15.767 1.00 0.00 H new ATOM 0 HB3 ASN A 109 2.250 -5.642 15.803 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.016 -8.865 14.669 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.725 -9.006 14.937 1.00 0.00 H new ATOM 1742 N LYS A 110 2.807 -7.522 11.927 1.00 0.00 N ATOM 1743 CA LYS A 110 3.034 -8.650 11.065 1.00 0.00 C ATOM 1744 C LYS A 110 4.107 -8.403 10.029 1.00 0.00 C ATOM 1745 O LYS A 110 4.505 -9.332 9.312 1.00 0.00 O ATOM 1746 CB LYS A 110 1.738 -9.186 10.453 1.00 0.00 C ATOM 1747 CG LYS A 110 1.063 -10.232 11.311 1.00 0.00 C ATOM 1748 CD LYS A 110 1.930 -11.466 11.357 1.00 0.00 C ATOM 1749 CE LYS A 110 1.400 -12.516 12.276 1.00 0.00 C ATOM 1750 NZ LYS A 110 2.339 -13.663 12.335 1.00 0.00 N ATOM 0 H LYS A 110 2.143 -6.836 11.568 1.00 0.00 H new ATOM 0 HA LYS A 110 3.424 -9.440 11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.049 -8.357 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.955 -9.613 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.903 -9.847 12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.082 -10.477 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.017 -11.880 10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.935 -11.186 11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.259 -12.100 13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.423 -12.853 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.376 -14.032 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.012 -14.412 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.288 -13.350 12.048 1.00 0.00 H new ATOM 1764 N ALA A 111 4.633 -7.186 9.999 1.00 0.00 N ATOM 1765 CA ALA A 111 5.681 -6.820 9.049 1.00 0.00 C ATOM 1766 C ALA A 111 6.943 -7.660 9.265 1.00 0.00 C ATOM 1767 O ALA A 111 7.678 -7.958 8.318 1.00 0.00 O ATOM 1768 CB ALA A 111 6.005 -5.337 9.144 1.00 0.00 C ATOM 0 H ALA A 111 4.351 -6.431 10.624 1.00 0.00 H new ATOM 0 HA ALA A 111 5.305 -7.027 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.788 -5.089 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.111 -4.754 8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.349 -5.103 10.152 1.00 0.00 H new ATOM 1774 N GLN A 112 7.170 -8.088 10.506 1.00 0.00 N ATOM 1775 CA GLN A 112 8.338 -8.895 10.797 1.00 0.00 C ATOM 1776 C GLN A 112 8.165 -10.297 10.228 1.00 0.00 C ATOM 1777 O GLN A 112 9.123 -10.932 9.809 1.00 0.00 O ATOM 1778 CB GLN A 112 8.673 -8.930 12.316 1.00 0.00 C ATOM 1779 CG GLN A 112 7.699 -9.728 13.199 1.00 0.00 C ATOM 1780 CD GLN A 112 7.885 -11.259 13.157 1.00 0.00 C ATOM 1781 OE1 GLN A 112 6.926 -12.006 13.303 1.00 0.00 O ATOM 1782 NE2 GLN A 112 9.096 -11.725 12.940 1.00 0.00 N ATOM 0 H GLN A 112 6.570 -7.891 11.307 1.00 0.00 H new ATOM 0 HA GLN A 112 9.193 -8.426 10.309 1.00 0.00 H new ATOM 0 HB2 GLN A 112 9.672 -9.349 12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.710 -7.905 12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.809 -9.392 14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.679 -9.493 12.894 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.877 -11.080 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.254 -12.731 12.890 1.00 0.00 H new ATOM 1791 N THR A 113 6.926 -10.770 10.193 1.00 0.00 N ATOM 1792 CA THR A 113 6.668 -12.089 9.710 1.00 0.00 C ATOM 1793 C THR A 113 6.845 -12.084 8.192 1.00 0.00 C ATOM 1794 O THR A 113 7.173 -13.093 7.596 1.00 0.00 O ATOM 1795 CB THR A 113 5.240 -12.572 10.090 1.00 0.00 C ATOM 1796 OG1 THR A 113 4.971 -12.294 11.487 1.00 0.00 O ATOM 1797 CG2 THR A 113 5.125 -14.071 9.899 1.00 0.00 C ATOM 0 H THR A 113 6.100 -10.252 10.494 1.00 0.00 H new ATOM 0 HA THR A 113 7.369 -12.783 10.173 1.00 0.00 H new ATOM 0 HB THR A 113 4.531 -12.047 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 113 5.809 -12.323 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 113 4.120 -14.396 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.320 -14.321 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 113 5.852 -14.576 10.535 1.00 0.00 H new ATOM 1805 N VAL A 114 6.655 -10.910 7.593 1.00 0.00 N ATOM 1806 CA VAL A 114 6.848 -10.728 6.161 1.00 0.00 C ATOM 1807 C VAL A 114 8.335 -10.766 5.835 1.00 0.00 C ATOM 1808 O VAL A 114 8.734 -11.374 4.850 1.00 0.00 O ATOM 1809 CB VAL A 114 6.303 -9.376 5.651 1.00 0.00 C ATOM 1810 CG1 VAL A 114 6.357 -9.312 4.131 1.00 0.00 C ATOM 1811 CG2 VAL A 114 4.909 -9.104 6.149 1.00 0.00 C ATOM 0 H VAL A 114 6.365 -10.065 8.085 1.00 0.00 H new ATOM 0 HA VAL A 114 6.302 -11.535 5.673 1.00 0.00 H new ATOM 0 HB VAL A 114 6.947 -8.595 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.968 -8.351 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.389 -9.423 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.752 -10.116 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.567 -8.143 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.239 -9.892 5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.910 -9.080 7.239 1.00 0.00 H new ATOM 1821 N LEU A 115 9.154 -10.103 6.656 1.00 0.00 N ATOM 1822 CA LEU A 115 10.597 -10.113 6.429 1.00 0.00 C ATOM 1823 C LEU A 115 11.172 -11.489 6.667 1.00 0.00 C ATOM 1824 O LEU A 115 12.097 -11.912 5.991 1.00 0.00 O ATOM 1825 CB LEU A 115 11.341 -9.005 7.206 1.00 0.00 C ATOM 1826 CG LEU A 115 11.250 -8.963 8.732 1.00 0.00 C ATOM 1827 CD1 LEU A 115 12.227 -9.937 9.382 1.00 0.00 C ATOM 1828 CD2 LEU A 115 11.462 -7.551 9.242 1.00 0.00 C ATOM 0 H LEU A 115 8.849 -9.564 7.467 1.00 0.00 H new ATOM 0 HA LEU A 115 10.758 -9.872 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.397 -9.075 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.982 -8.046 6.831 1.00 0.00 H new ATOM 0 HG LEU A 115 10.246 -9.280 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.132 -9.878 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.002 -10.952 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 115 13.245 -9.679 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.393 -7.543 10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.448 -7.198 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.698 -6.895 8.825 1.00 0.00 H new ATOM 1840 N ASN A 116 10.583 -12.190 7.618 1.00 0.00 N ATOM 1841 CA ASN A 116 10.932 -13.597 7.859 1.00 0.00 C ATOM 1842 C ASN A 116 10.374 -14.437 6.684 1.00 0.00 C ATOM 1843 O ASN A 116 10.901 -15.487 6.344 1.00 0.00 O ATOM 1844 CB ASN A 116 10.289 -14.049 9.194 1.00 0.00 C ATOM 1845 CG ASN A 116 10.747 -15.418 9.756 1.00 0.00 C ATOM 1846 OD1 ASN A 116 10.757 -15.599 10.962 1.00 0.00 O ATOM 1847 ND2 ASN A 116 11.104 -16.368 8.922 1.00 0.00 N ATOM 0 H ASN A 116 9.863 -11.820 8.239 1.00 0.00 H new ATOM 0 HA ASN A 116 12.012 -13.728 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 116 10.493 -13.287 9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 116 9.208 -14.081 9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 116 11.397 -17.277 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 116 11.089 -16.196 7.917 1.00 0.00 H new ATOM 1854 N GLY A 117 9.304 -13.937 6.089 1.00 0.00 N ATOM 1855 CA GLY A 117 8.663 -14.555 4.939 1.00 0.00 C ATOM 1856 C GLY A 117 7.900 -15.787 5.307 1.00 0.00 C ATOM 1857 O GLY A 117 7.579 -16.605 4.464 1.00 0.00 O ATOM 0 H GLY A 117 8.849 -13.077 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 117 7.987 -13.837 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.420 -14.808 4.196 1.00 0.00 H new ATOM 1861 N ASN A 118 7.549 -15.873 6.564 1.00 0.00 N ATOM 1862 CA ASN A 118 6.747 -16.975 7.093 1.00 0.00 C ATOM 1863 C ASN A 118 5.312 -16.443 7.117 1.00 0.00 C ATOM 1864 O ASN A 118 4.492 -16.732 8.000 1.00 0.00 O ATOM 1865 CB ASN A 118 7.226 -17.307 8.521 1.00 0.00 C ATOM 1866 CG ASN A 118 6.759 -18.677 9.024 1.00 0.00 C ATOM 1867 OD1 ASN A 118 7.450 -19.668 8.870 1.00 0.00 O ATOM 1868 ND2 ASN A 118 5.587 -18.743 9.600 1.00 0.00 N ATOM 0 H ASN A 118 7.808 -15.180 7.266 1.00 0.00 H new ATOM 0 HA ASN A 118 6.827 -17.885 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.315 -17.272 8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.866 -16.537 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.232 -19.640 9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.028 -17.898 9.717 1.00 0.00 H new ATOM 1875 N LEU A 119 5.045 -15.653 6.118 1.00 0.00 N ATOM 1876 CA LEU A 119 3.879 -14.937 5.932 1.00 0.00 C ATOM 1877 C LEU A 119 3.578 -14.957 4.469 1.00 0.00 C ATOM 1878 O LEU A 119 4.437 -14.656 3.633 1.00 0.00 O ATOM 1879 CB LEU A 119 4.101 -13.493 6.490 1.00 0.00 C ATOM 1880 CG LEU A 119 3.162 -12.339 6.085 1.00 0.00 C ATOM 1881 CD1 LEU A 119 3.443 -11.885 4.654 1.00 0.00 C ATOM 1882 CD2 LEU A 119 1.705 -12.740 6.260 1.00 0.00 C ATOM 0 H LEU A 119 5.715 -15.501 5.364 1.00 0.00 H new ATOM 0 HA LEU A 119 3.027 -15.362 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.074 -13.562 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.113 -13.195 6.215 1.00 0.00 H new ATOM 0 HG LEU A 119 3.357 -11.494 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.768 -11.070 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.474 -11.541 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.287 -12.720 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.062 -11.910 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.488 -13.605 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.520 -12.993 7.304 1.00 0.00 H new ATOM 1894 N LYS A 120 2.428 -15.394 4.177 1.00 0.00 N ATOM 1895 CA LYS A 120 1.892 -15.347 2.892 1.00 0.00 C ATOM 1896 C LYS A 120 0.521 -14.742 3.015 1.00 0.00 C ATOM 1897 O LYS A 120 -0.231 -15.132 3.911 1.00 0.00 O ATOM 1898 CB LYS A 120 1.827 -16.756 2.265 1.00 0.00 C ATOM 1899 CG LYS A 120 1.094 -17.798 3.099 1.00 0.00 C ATOM 1900 CD LYS A 120 -0.031 -18.491 2.295 1.00 0.00 C ATOM 1901 CE LYS A 120 -1.144 -17.502 1.896 1.00 0.00 C ATOM 1902 NZ LYS A 120 -2.218 -18.123 1.091 1.00 0.00 N ATOM 0 H LYS A 120 1.803 -15.816 4.864 1.00 0.00 H new ATOM 0 HA LYS A 120 2.519 -14.747 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.340 -16.683 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 120 2.844 -17.105 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 120 1.804 -18.547 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 120 0.669 -17.322 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.390 -18.945 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.458 -19.298 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -1.578 -17.072 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.705 -16.680 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -3.045 -17.492 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -1.878 -18.281 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.488 -19.033 1.515 1.00 0.00 H new ATOM 1916 N VAL A 121 0.184 -13.801 2.195 1.00 0.00 N ATOM 1917 CA VAL A 121 -1.157 -13.311 2.233 1.00 0.00 C ATOM 1918 C VAL A 121 -1.872 -13.830 1.023 1.00 0.00 C ATOM 1919 O VAL A 121 -1.306 -14.595 0.224 1.00 0.00 O ATOM 1920 CB VAL A 121 -1.308 -11.760 2.317 1.00 0.00 C ATOM 1921 CG1 VAL A 121 -0.529 -11.156 3.467 1.00 0.00 C ATOM 1922 CG2 VAL A 121 -0.983 -11.096 1.024 1.00 0.00 C ATOM 0 H VAL A 121 0.798 -13.365 1.508 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.592 -13.674 3.164 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.361 -11.570 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.672 -10.075 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.884 -11.576 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.531 -11.381 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.102 -10.018 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.047 -11.323 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.656 -11.461 0.248 1.00 0.00 H new ATOM 1932 N ASP A 122 -3.065 -13.464 0.901 1.00 0.00 N ATOM 1933 CA ASP A 122 -3.858 -13.833 -0.192 1.00 0.00 C ATOM 1934 C ASP A 122 -4.479 -12.599 -0.752 1.00 0.00 C ATOM 1935 O ASP A 122 -4.883 -11.719 -0.017 1.00 0.00 O ATOM 1936 CB ASP A 122 -4.929 -14.823 0.263 1.00 0.00 C ATOM 1937 CG ASP A 122 -5.808 -14.285 1.400 1.00 0.00 C ATOM 1938 OD1 ASP A 122 -5.370 -14.364 2.575 1.00 0.00 O ATOM 1939 OD2 ASP A 122 -6.896 -13.758 1.137 1.00 0.00 O ATOM 0 H ASP A 122 -3.545 -12.875 1.581 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.256 -14.318 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.562 -15.079 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.447 -15.744 0.590 1.00 0.00 H new ATOM 1944 N PHE A 123 -4.443 -12.457 -2.017 1.00 0.00 N ATOM 1945 CA PHE A 123 -5.162 -11.401 -2.604 1.00 0.00 C ATOM 1946 C PHE A 123 -6.370 -11.922 -3.321 1.00 0.00 C ATOM 1947 O PHE A 123 -6.262 -12.663 -4.311 1.00 0.00 O ATOM 1948 CB PHE A 123 -4.327 -10.506 -3.503 1.00 0.00 C ATOM 1949 CG PHE A 123 -5.165 -9.479 -4.179 1.00 0.00 C ATOM 1950 CD1 PHE A 123 -5.821 -8.506 -3.434 1.00 0.00 C ATOM 1951 CD2 PHE A 123 -5.359 -9.523 -5.548 1.00 0.00 C ATOM 1952 CE1 PHE A 123 -6.637 -7.601 -4.051 1.00 0.00 C ATOM 1953 CE2 PHE A 123 -6.183 -8.622 -6.164 1.00 0.00 C ATOM 1954 CZ PHE A 123 -6.821 -7.661 -5.416 1.00 0.00 C ATOM 0 H PHE A 123 -3.927 -13.054 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.483 -10.760 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.554 -10.015 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -3.819 -11.113 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -5.685 -8.465 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -4.855 -10.276 -6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.137 -6.840 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -6.332 -8.665 -7.233 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.471 -6.948 -5.901 1.00 0.00 H new ATOM 1964 N MET A 124 -7.488 -11.552 -2.783 1.00 0.00 N ATOM 1965 CA MET A 124 -8.784 -11.858 -3.321 1.00 0.00 C ATOM 1966 C MET A 124 -9.215 -10.721 -4.248 1.00 0.00 C ATOM 1967 O MET A 124 -9.298 -9.547 -3.838 1.00 0.00 O ATOM 1968 CB MET A 124 -9.786 -12.091 -2.164 1.00 0.00 C ATOM 1969 CG MET A 124 -9.803 -10.988 -1.105 1.00 0.00 C ATOM 1970 SD MET A 124 -10.918 -11.318 0.282 1.00 0.00 S ATOM 1971 CE MET A 124 -10.225 -12.855 0.916 1.00 0.00 C ATOM 0 H MET A 124 -7.530 -11.006 -1.922 1.00 0.00 H new ATOM 0 HA MET A 124 -8.754 -12.776 -3.908 1.00 0.00 H new ATOM 0 HB2 MET A 124 -10.788 -12.190 -2.583 1.00 0.00 H new ATOM 0 HB3 MET A 124 -9.548 -13.038 -1.680 1.00 0.00 H new ATOM 0 HG2 MET A 124 -8.792 -10.851 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.094 -10.050 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.257 -12.846 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.807 -13.698 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 124 -9.191 -12.952 0.584 1.00 0.00 H new ATOM 1981 N GLU A 125 -9.455 -11.051 -5.481 1.00 0.00 N ATOM 1982 CA GLU A 125 -9.753 -10.065 -6.500 1.00 0.00 C ATOM 1983 C GLU A 125 -11.251 -9.892 -6.676 1.00 0.00 C ATOM 1984 O GLU A 125 -11.834 -8.882 -6.224 1.00 0.00 O ATOM 1985 CB GLU A 125 -9.075 -10.456 -7.813 1.00 0.00 C ATOM 1986 CG GLU A 125 -9.338 -9.518 -8.979 1.00 0.00 C ATOM 1987 CD GLU A 125 -8.552 -9.919 -10.186 1.00 0.00 C ATOM 1988 OE1 GLU A 125 -8.967 -10.839 -10.903 1.00 0.00 O ATOM 1989 OE2 GLU A 125 -7.458 -9.361 -10.391 1.00 0.00 O ATOM 0 H GLU A 125 -9.452 -12.013 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.357 -9.101 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.999 -10.510 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.405 -11.457 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.402 -9.520 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.077 -8.499 -8.695 1.00 0.00 H new ATOM 1996 N THR A 126 -11.862 -10.865 -7.282 1.00 0.00 N ATOM 1997 CA THR A 126 -13.274 -10.871 -7.514 1.00 0.00 C ATOM 1998 C THR A 126 -13.814 -12.097 -6.814 1.00 0.00 C ATOM 1999 O THR A 126 -14.161 -13.108 -7.427 1.00 0.00 O ATOM 2000 CB THR A 126 -13.587 -10.897 -9.031 1.00 0.00 C ATOM 2001 OG1 THR A 126 -12.847 -9.835 -9.676 1.00 0.00 O ATOM 2002 CG2 THR A 126 -15.077 -10.680 -9.290 1.00 0.00 C ATOM 0 H THR A 126 -11.383 -11.693 -7.636 1.00 0.00 H new ATOM 0 HA THR A 126 -13.743 -9.967 -7.126 1.00 0.00 H new ATOM 0 HB THR A 126 -13.302 -11.871 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 126 -13.036 -9.842 -10.638 1.00 0.00 H new ATOM 0 HG21 THR A 126 -15.267 -10.703 -10.363 1.00 0.00 H new ATOM 0 HG22 THR A 126 -15.650 -11.469 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 126 -15.379 -9.712 -8.889 1.00 0.00 H new ATOM 2010 N GLU A 127 -13.775 -11.994 -5.523 1.00 0.00 N ATOM 2011 CA GLU A 127 -14.067 -13.029 -4.586 1.00 0.00 C ATOM 2012 C GLU A 127 -14.602 -12.293 -3.389 1.00 0.00 C ATOM 2013 O GLU A 127 -15.722 -12.536 -2.974 1.00 0.00 O ATOM 2014 CB GLU A 127 -12.744 -13.735 -4.205 1.00 0.00 C ATOM 2015 CG GLU A 127 -12.028 -14.424 -5.368 1.00 0.00 C ATOM 2016 CD GLU A 127 -10.542 -14.558 -5.145 1.00 0.00 C ATOM 2017 OE1 GLU A 127 -10.116 -15.493 -4.445 1.00 0.00 O ATOM 2018 OE2 GLU A 127 -9.781 -13.694 -5.670 1.00 0.00 O ATOM 0 H GLU A 127 -13.519 -11.119 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 127 -14.762 -13.778 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.070 -13.000 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -12.953 -14.477 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.459 -15.414 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.204 -13.858 -6.283 1.00 0.00 H new TER 2025 GLU A 127