USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 958 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 101 ASN : amide:sc= -0.577 K(o=-0.095,f=-1.8) USER MOD Set 1.2: A 108 SER OG : rot -25:sc= 0.482 USER MOD Set 2.1: A 80 THR OG1 : rot 176:sc= 0.496 USER MOD Set 2.2: A 83 SER OG : rot 92:sc= 0.0311 USER MOD Set 3.1: A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Set 3.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 68 SER OG : rot -83:sc= 0.215 USER MOD Set 4.2: A 96 GLN :FLIP amide:sc= -0.09 F(o=-0.61,f=0.13) USER MOD Single : A 3 MET CE :methyl -173:sc= 0 (180deg=-0.0629) USER MOD Single : A 5 MET CE :methyl -129:sc= -1.22 (180deg=-5.02!) USER MOD Single : A 7 MET CE :methyl -169:sc= 0 (180deg=-0.121) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1) USER MOD Single : A 21 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.7!) USER MOD Single : A 22 ASN : amide:sc= -0.667 K(o=-0.67,f=-6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 24 THR OG1 : rot -90:sc= -0.199 USER MOD Single : A 25 ASN : amide:sc=-0.00685 X(o=-0.0068,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 7:sc= 0.504 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -130:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 124:sc= 1.83 USER MOD Single : A 69 SER OG : rot -170:sc= 0 USER MOD Single : A 71 THR OG1 : rot 28:sc= 0.043 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=-0.00058) USER MOD Single : A 87 SER OG : rot -80:sc= 1.74 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0334 F(o=-1.8!,f=-0.033) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.933) USER MOD Single : A 98 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.93) USER MOD Single : A 99 CYS SG : rot 130:sc= -2.85! USER MOD Single : A 104 SER OG : rot -18:sc= 1.05 USER MOD Single : A 105 SER OG : rot 180:sc= 0.077 USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.0284 (180deg=-0.243) USER MOD Single : A 116 CYS SG : rot 58:sc= -3.21! USER MOD Single : A 117 SER OG : rot 180:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 20 N MET A 3 9.089 -15.167 6.224 1.00 1.02 N ATOM 21 CA MET A 3 9.289 -13.894 6.882 1.00 0.92 C ATOM 22 C MET A 3 8.868 -12.776 5.947 1.00 0.65 C ATOM 23 O MET A 3 9.331 -12.687 4.805 1.00 0.82 O ATOM 24 CB MET A 3 10.756 -13.738 7.300 1.00 1.21 C ATOM 25 CG MET A 3 10.985 -12.712 8.404 1.00 1.47 C ATOM 26 SD MET A 3 10.732 -11.007 7.869 1.00 1.88 S ATOM 27 CE MET A 3 10.880 -10.137 9.427 1.00 2.83 C ATOM 0 HA MET A 3 8.678 -13.848 7.784 1.00 0.92 H new ATOM 0 HB2 MET A 3 11.132 -14.705 7.634 1.00 1.21 H new ATOM 0 HB3 MET A 3 11.343 -13.453 6.427 1.00 1.21 H new ATOM 0 HG2 MET A 3 10.312 -12.927 9.234 1.00 1.47 H new ATOM 0 HG3 MET A 3 12.002 -12.818 8.782 1.00 1.47 H new ATOM 0 HE1 MET A 3 10.625 -9.087 9.283 1.00 2.83 H new ATOM 0 HE2 MET A 3 10.201 -10.579 10.156 1.00 2.83 H new ATOM 0 HE3 MET A 3 11.904 -10.215 9.791 1.00 2.83 H new ATOM 37 N ALA A 4 7.956 -11.959 6.426 1.00 0.46 N ATOM 38 CA ALA A 4 7.433 -10.847 5.653 1.00 0.37 C ATOM 39 C ALA A 4 7.971 -9.511 6.170 1.00 0.34 C ATOM 40 O ALA A 4 7.862 -9.199 7.358 1.00 0.43 O ATOM 41 CB ALA A 4 5.912 -10.870 5.679 1.00 0.57 C ATOM 0 H ALA A 4 7.555 -12.044 7.360 1.00 0.46 H new ATOM 0 HA ALA A 4 7.768 -10.954 4.621 1.00 0.37 H new ATOM 0 HB1 ALA A 4 5.525 -10.033 5.097 1.00 0.57 H new ATOM 0 HB2 ALA A 4 5.555 -11.806 5.250 1.00 0.57 H new ATOM 0 HB3 ALA A 4 5.564 -10.787 6.709 1.00 0.57 H new ATOM 47 N MET A 5 8.542 -8.737 5.260 1.00 0.30 N ATOM 48 CA MET A 5 9.136 -7.443 5.577 1.00 0.33 C ATOM 49 C MET A 5 8.251 -6.300 5.097 1.00 0.34 C ATOM 50 O MET A 5 8.118 -6.082 3.893 1.00 0.34 O ATOM 51 CB MET A 5 10.509 -7.320 4.910 1.00 0.35 C ATOM 52 CG MET A 5 11.632 -7.996 5.676 1.00 0.63 C ATOM 53 SD MET A 5 11.898 -7.271 7.308 1.00 1.25 S ATOM 54 CE MET A 5 12.254 -5.570 6.870 1.00 0.90 C ATOM 0 H MET A 5 8.608 -8.989 4.274 1.00 0.30 H new ATOM 0 HA MET A 5 9.239 -7.380 6.660 1.00 0.33 H new ATOM 0 HB2 MET A 5 10.455 -7.750 3.910 1.00 0.35 H new ATOM 0 HB3 MET A 5 10.750 -6.264 4.790 1.00 0.35 H new ATOM 0 HG2 MET A 5 11.404 -9.056 5.787 1.00 0.63 H new ATOM 0 HG3 MET A 5 12.553 -7.927 5.098 1.00 0.63 H new ATOM 0 HE1 MET A 5 13.176 -5.254 7.358 1.00 0.90 H new ATOM 0 HE2 MET A 5 12.369 -5.489 5.789 1.00 0.90 H new ATOM 0 HE3 MET A 5 11.433 -4.931 7.196 1.00 0.90 H new ATOM 64 N PRO A 6 7.637 -5.549 6.026 1.00 0.41 N ATOM 65 CA PRO A 6 6.821 -4.379 5.677 1.00 0.46 C ATOM 66 C PRO A 6 7.616 -3.395 4.827 1.00 0.39 C ATOM 67 O PRO A 6 8.715 -2.999 5.201 1.00 0.38 O ATOM 68 CB PRO A 6 6.477 -3.763 7.034 1.00 0.58 C ATOM 69 CG PRO A 6 6.595 -4.888 8.004 1.00 0.61 C ATOM 70 CD PRO A 6 7.689 -5.776 7.479 1.00 0.49 C ATOM 0 HA PRO A 6 5.940 -4.639 5.091 1.00 0.46 H new ATOM 0 HB2 PRO A 6 7.160 -2.951 7.285 1.00 0.58 H new ATOM 0 HB3 PRO A 6 5.471 -3.344 7.035 1.00 0.58 H new ATOM 0 HG2 PRO A 6 6.836 -4.520 9.001 1.00 0.61 H new ATOM 0 HG3 PRO A 6 5.655 -5.434 8.085 1.00 0.61 H new ATOM 0 HD2 PRO A 6 8.660 -5.507 7.894 1.00 0.49 H new ATOM 0 HD3 PRO A 6 7.514 -6.822 7.730 1.00 0.49 H new ATOM 78 N MET A 7 7.048 -3.003 3.689 1.00 0.37 N ATOM 79 CA MET A 7 7.764 -2.224 2.675 1.00 0.32 C ATOM 80 C MET A 7 8.319 -0.911 3.206 1.00 0.29 C ATOM 81 O MET A 7 9.323 -0.415 2.701 1.00 0.28 O ATOM 82 CB MET A 7 6.865 -1.974 1.472 1.00 0.40 C ATOM 83 CG MET A 7 6.619 -3.229 0.662 1.00 0.37 C ATOM 84 SD MET A 7 8.139 -3.890 -0.028 1.00 1.39 S ATOM 85 CE MET A 7 8.440 -2.732 -1.354 1.00 0.77 C ATOM 0 H MET A 7 6.081 -3.214 3.442 1.00 0.37 H new ATOM 0 HA MET A 7 8.624 -2.821 2.373 1.00 0.32 H new ATOM 0 HB2 MET A 7 5.911 -1.572 1.813 1.00 0.40 H new ATOM 0 HB3 MET A 7 7.320 -1.217 0.834 1.00 0.40 H new ATOM 0 HG2 MET A 7 6.150 -3.983 1.294 1.00 0.37 H new ATOM 0 HG3 MET A 7 5.920 -3.009 -0.145 1.00 0.37 H new ATOM 0 HE1 MET A 7 9.234 -3.113 -1.997 1.00 0.77 H new ATOM 0 HE2 MET A 7 7.529 -2.604 -1.939 1.00 0.77 H new ATOM 0 HE3 MET A 7 8.741 -1.771 -0.937 1.00 0.77 H new ATOM 95 N ILE A 8 7.680 -0.349 4.213 1.00 0.30 N ATOM 96 CA ILE A 8 8.202 0.844 4.864 1.00 0.27 C ATOM 97 C ILE A 8 9.557 0.548 5.507 1.00 0.30 C ATOM 98 O ILE A 8 10.538 1.257 5.279 1.00 0.34 O ATOM 99 CB ILE A 8 7.199 1.371 5.914 1.00 0.29 C ATOM 100 CG1 ILE A 8 6.064 2.114 5.208 1.00 0.29 C ATOM 101 CG2 ILE A 8 7.874 2.264 6.947 1.00 0.38 C ATOM 102 CD1 ILE A 8 6.524 3.320 4.415 1.00 0.36 C ATOM 0 H ILE A 8 6.802 -0.695 4.600 1.00 0.30 H new ATOM 0 HA ILE A 8 8.342 1.619 4.111 1.00 0.27 H new ATOM 0 HB ILE A 8 6.790 0.518 6.455 1.00 0.29 H new ATOM 0 HG12 ILE A 8 5.552 1.424 4.538 1.00 0.29 H new ATOM 0 HG13 ILE A 8 5.335 2.436 5.952 1.00 0.29 H new ATOM 0 HG21 ILE A 8 7.133 2.613 7.666 1.00 0.38 H new ATOM 0 HG22 ILE A 8 8.647 1.698 7.468 1.00 0.38 H new ATOM 0 HG23 ILE A 8 8.326 3.121 6.447 1.00 0.38 H new ATOM 0 HD11 ILE A 8 5.664 3.795 3.943 1.00 0.36 H new ATOM 0 HD12 ILE A 8 7.010 4.031 5.083 1.00 0.36 H new ATOM 0 HD13 ILE A 8 7.230 3.003 3.647 1.00 0.36 H new ATOM 114 N GLU A 9 9.604 -0.534 6.268 1.00 0.32 N ATOM 115 CA GLU A 9 10.817 -0.957 6.949 1.00 0.39 C ATOM 116 C GLU A 9 11.813 -1.563 5.950 1.00 0.34 C ATOM 117 O GLU A 9 13.029 -1.499 6.134 1.00 0.37 O ATOM 118 CB GLU A 9 10.445 -1.958 8.043 1.00 0.53 C ATOM 119 CG GLU A 9 11.602 -2.390 8.917 1.00 0.66 C ATOM 120 CD GLU A 9 11.134 -3.075 10.184 1.00 0.87 C ATOM 121 OE1 GLU A 9 10.466 -4.124 10.079 1.00 1.20 O ATOM 122 OE2 GLU A 9 11.457 -2.582 11.286 1.00 1.67 O ATOM 0 H GLU A 9 8.802 -1.143 6.431 1.00 0.32 H new ATOM 0 HA GLU A 9 11.304 -0.096 7.407 1.00 0.39 H new ATOM 0 HB2 GLU A 9 9.674 -1.517 8.675 1.00 0.53 H new ATOM 0 HB3 GLU A 9 10.009 -2.841 7.577 1.00 0.53 H new ATOM 0 HG2 GLU A 9 12.246 -3.067 8.356 1.00 0.66 H new ATOM 0 HG3 GLU A 9 12.204 -1.519 9.177 1.00 0.66 H new ATOM 129 N TYR A 10 11.272 -2.150 4.890 1.00 0.33 N ATOM 130 CA TYR A 10 12.071 -2.707 3.806 1.00 0.33 C ATOM 131 C TYR A 10 12.860 -1.598 3.108 1.00 0.33 C ATOM 132 O TYR A 10 14.064 -1.724 2.872 1.00 0.40 O ATOM 133 CB TYR A 10 11.150 -3.418 2.809 1.00 0.37 C ATOM 134 CG TYR A 10 11.870 -4.137 1.690 1.00 0.45 C ATOM 135 CD1 TYR A 10 12.369 -5.419 1.872 1.00 0.56 C ATOM 136 CD2 TYR A 10 12.064 -3.525 0.457 1.00 0.50 C ATOM 137 CE1 TYR A 10 13.039 -6.076 0.858 1.00 0.67 C ATOM 138 CE2 TYR A 10 12.735 -4.174 -0.563 1.00 0.60 C ATOM 139 CZ TYR A 10 13.168 -5.470 -0.378 1.00 0.68 C ATOM 140 OH TYR A 10 13.894 -6.096 -1.371 1.00 0.80 O ATOM 0 H TYR A 10 10.266 -2.253 4.758 1.00 0.33 H new ATOM 0 HA TYR A 10 12.781 -3.427 4.213 1.00 0.33 H new ATOM 0 HB2 TYR A 10 10.537 -4.138 3.351 1.00 0.37 H new ATOM 0 HB3 TYR A 10 10.471 -2.684 2.374 1.00 0.37 H new ATOM 0 HD1 TYR A 10 12.231 -5.912 2.823 1.00 0.56 H new ATOM 0 HD2 TYR A 10 11.685 -2.527 0.293 1.00 0.50 H new ATOM 0 HE1 TYR A 10 13.459 -7.056 1.030 1.00 0.67 H new ATOM 0 HE2 TYR A 10 12.919 -3.669 -1.500 1.00 0.60 H new ATOM 0 HH TYR A 10 13.889 -5.542 -2.179 1.00 0.80 H new ATOM 150 N LEU A 11 12.171 -0.504 2.803 1.00 0.33 N ATOM 151 CA LEU A 11 12.777 0.626 2.112 1.00 0.40 C ATOM 152 C LEU A 11 13.862 1.283 2.943 1.00 0.41 C ATOM 153 O LEU A 11 14.951 1.555 2.440 1.00 0.51 O ATOM 154 CB LEU A 11 11.711 1.651 1.727 1.00 0.47 C ATOM 155 CG LEU A 11 11.224 1.566 0.276 1.00 0.82 C ATOM 156 CD1 LEU A 11 10.740 0.162 -0.064 1.00 1.30 C ATOM 157 CD2 LEU A 11 10.121 2.580 0.034 1.00 1.45 C ATOM 0 H LEU A 11 11.184 -0.376 3.026 1.00 0.33 H new ATOM 0 HA LEU A 11 13.245 0.240 1.206 1.00 0.40 H new ATOM 0 HB2 LEU A 11 10.854 1.528 2.390 1.00 0.47 H new ATOM 0 HB3 LEU A 11 12.109 2.650 1.903 1.00 0.47 H new ATOM 0 HG LEU A 11 12.066 1.795 -0.377 1.00 0.82 H new ATOM 0 HD11 LEU A 11 10.401 0.135 -1.100 1.00 1.30 H new ATOM 0 HD12 LEU A 11 11.557 -0.547 0.069 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.915 -0.108 0.595 1.00 1.30 H new ATOM 0 HD21 LEU A 11 9.783 2.510 -1.000 1.00 1.45 H new ATOM 0 HD22 LEU A 11 9.285 2.375 0.703 1.00 1.45 H new ATOM 0 HD23 LEU A 11 10.501 3.584 0.225 1.00 1.45 H new ATOM 169 N GLU A 12 13.581 1.520 4.211 1.00 0.39 N ATOM 170 CA GLU A 12 14.532 2.204 5.068 1.00 0.50 C ATOM 171 C GLU A 12 15.807 1.378 5.248 1.00 0.53 C ATOM 172 O GLU A 12 16.903 1.881 5.048 1.00 0.61 O ATOM 173 CB GLU A 12 13.905 2.532 6.426 1.00 0.59 C ATOM 174 CG GLU A 12 13.530 1.327 7.247 1.00 0.65 C ATOM 175 CD GLU A 12 13.117 1.691 8.653 1.00 0.74 C ATOM 176 OE1 GLU A 12 12.169 2.490 8.804 1.00 0.90 O ATOM 177 OE2 GLU A 12 13.724 1.176 9.610 1.00 1.41 O ATOM 0 H GLU A 12 12.709 1.252 4.668 1.00 0.39 H new ATOM 0 HA GLU A 12 14.804 3.141 4.581 1.00 0.50 H new ATOM 0 HB2 GLU A 12 14.605 3.142 6.997 1.00 0.59 H new ATOM 0 HB3 GLU A 12 13.013 3.137 6.264 1.00 0.59 H new ATOM 0 HG2 GLU A 12 12.713 0.798 6.757 1.00 0.65 H new ATOM 0 HG3 GLU A 12 14.376 0.641 7.286 1.00 0.65 H new ATOM 184 N ARG A 13 15.661 0.102 5.581 1.00 0.50 N ATOM 185 CA ARG A 13 16.813 -0.737 5.905 1.00 0.57 C ATOM 186 C ARG A 13 17.588 -1.162 4.659 1.00 0.60 C ATOM 187 O ARG A 13 18.803 -0.998 4.592 1.00 0.69 O ATOM 188 CB ARG A 13 16.379 -1.994 6.664 1.00 0.58 C ATOM 189 CG ARG A 13 15.681 -1.727 7.987 1.00 0.61 C ATOM 190 CD ARG A 13 15.422 -3.029 8.725 1.00 0.65 C ATOM 191 NE ARG A 13 14.605 -2.847 9.922 1.00 1.36 N ATOM 192 CZ ARG A 13 14.774 -3.540 11.047 1.00 1.54 C ATOM 193 NH1 ARG A 13 15.845 -4.314 11.199 1.00 1.16 N ATOM 194 NH2 ARG A 13 13.885 -3.436 12.026 1.00 2.57 N ATOM 0 H ARG A 13 14.761 -0.375 5.634 1.00 0.50 H new ATOM 0 HA ARG A 13 17.466 -0.129 6.532 1.00 0.57 H new ATOM 0 HB2 ARG A 13 15.711 -2.574 6.027 1.00 0.58 H new ATOM 0 HB3 ARG A 13 17.258 -2.611 6.850 1.00 0.58 H new ATOM 0 HG2 ARG A 13 16.295 -1.069 8.602 1.00 0.61 H new ATOM 0 HG3 ARG A 13 14.738 -1.209 7.809 1.00 0.61 H new ATOM 0 HD2 ARG A 13 14.925 -3.729 8.054 1.00 0.65 H new ATOM 0 HD3 ARG A 13 16.375 -3.478 9.005 1.00 0.65 H new ATOM 0 HE ARG A 13 13.862 -2.149 9.895 1.00 1.36 H new ATOM 0 HH11 ARG A 13 16.538 -4.377 10.454 1.00 1.16 H new ATOM 0 HH12 ARG A 13 15.973 -4.844 12.061 1.00 1.16 H new ATOM 0 HH21 ARG A 13 13.074 -2.827 11.916 1.00 2.57 H new ATOM 0 HH22 ARG A 13 14.012 -3.966 12.889 1.00 2.57 H new ATOM 208 N PHE A 14 16.884 -1.700 3.673 1.00 0.58 N ATOM 209 CA PHE A 14 17.540 -2.339 2.538 1.00 0.68 C ATOM 210 C PHE A 14 17.843 -1.355 1.413 1.00 0.75 C ATOM 211 O PHE A 14 18.863 -1.479 0.734 1.00 0.96 O ATOM 212 CB PHE A 14 16.682 -3.492 2.005 1.00 0.68 C ATOM 213 CG PHE A 14 16.457 -4.584 3.011 1.00 0.72 C ATOM 214 CD1 PHE A 14 17.382 -5.602 3.164 1.00 0.88 C ATOM 215 CD2 PHE A 14 15.318 -4.594 3.798 1.00 0.69 C ATOM 216 CE1 PHE A 14 17.178 -6.610 4.085 1.00 0.98 C ATOM 217 CE2 PHE A 14 15.108 -5.599 4.721 1.00 0.79 C ATOM 218 CZ PHE A 14 16.040 -6.599 4.875 1.00 0.93 C ATOM 0 H PHE A 14 15.865 -1.708 3.634 1.00 0.58 H new ATOM 0 HA PHE A 14 18.492 -2.728 2.899 1.00 0.68 H new ATOM 0 HB2 PHE A 14 15.717 -3.099 1.685 1.00 0.68 H new ATOM 0 HB3 PHE A 14 17.163 -3.915 1.123 1.00 0.68 H new ATOM 0 HD1 PHE A 14 18.274 -5.608 2.556 1.00 0.88 H new ATOM 0 HD2 PHE A 14 14.586 -3.807 3.689 1.00 0.69 H new ATOM 0 HE1 PHE A 14 17.903 -7.404 4.189 1.00 0.98 H new ATOM 0 HE2 PHE A 14 14.211 -5.600 5.323 1.00 0.79 H new ATOM 0 HZ PHE A 14 15.885 -7.374 5.611 1.00 0.93 H new ATOM 228 N SER A 15 16.970 -0.382 1.216 1.00 0.69 N ATOM 229 CA SER A 15 17.113 0.529 0.092 1.00 0.83 C ATOM 230 C SER A 15 17.876 1.792 0.485 1.00 0.91 C ATOM 231 O SER A 15 18.856 2.160 -0.164 1.00 1.07 O ATOM 232 CB SER A 15 15.737 0.890 -0.478 1.00 0.81 C ATOM 233 OG SER A 15 15.854 1.640 -1.675 1.00 1.37 O ATOM 0 H SER A 15 16.162 -0.203 1.813 1.00 0.69 H new ATOM 0 HA SER A 15 17.693 0.020 -0.677 1.00 0.83 H new ATOM 0 HB2 SER A 15 15.171 -0.021 -0.672 1.00 0.81 H new ATOM 0 HB3 SER A 15 15.175 1.464 0.259 1.00 0.81 H new ATOM 0 HG SER A 15 14.960 1.854 -2.016 1.00 1.37 H new ATOM 239 N LEU A 16 17.446 2.438 1.556 1.00 0.84 N ATOM 240 CA LEU A 16 17.976 3.750 1.907 1.00 0.95 C ATOM 241 C LEU A 16 19.085 3.674 2.952 1.00 0.98 C ATOM 242 O LEU A 16 19.890 4.597 3.069 1.00 1.12 O ATOM 243 CB LEU A 16 16.847 4.640 2.418 1.00 0.94 C ATOM 244 CG LEU A 16 15.681 4.821 1.448 1.00 0.99 C ATOM 245 CD1 LEU A 16 14.548 5.566 2.125 1.00 0.95 C ATOM 246 CD2 LEU A 16 16.134 5.558 0.196 1.00 1.22 C ATOM 0 H LEU A 16 16.736 2.081 2.195 1.00 0.84 H new ATOM 0 HA LEU A 16 18.413 4.175 1.003 1.00 0.95 H new ATOM 0 HB2 LEU A 16 16.465 4.219 3.348 1.00 0.94 H new ATOM 0 HB3 LEU A 16 17.257 5.621 2.657 1.00 0.94 H new ATOM 0 HG LEU A 16 15.321 3.836 1.150 1.00 0.99 H new ATOM 0 HD11 LEU A 16 13.723 5.689 1.423 1.00 0.95 H new ATOM 0 HD12 LEU A 16 14.206 5.000 2.991 1.00 0.95 H new ATOM 0 HD13 LEU A 16 14.899 6.546 2.448 1.00 0.95 H new ATOM 0 HD21 LEU A 16 15.289 5.677 -0.482 1.00 1.22 H new ATOM 0 HD22 LEU A 16 16.519 6.540 0.471 1.00 1.22 H new ATOM 0 HD23 LEU A 16 16.919 4.986 -0.299 1.00 1.22 H new ATOM 258 N LYS A 17 19.108 2.573 3.710 1.00 0.88 N ATOM 259 CA LYS A 17 20.077 2.378 4.793 1.00 0.96 C ATOM 260 C LYS A 17 19.849 3.386 5.912 1.00 1.01 C ATOM 261 O LYS A 17 20.735 3.665 6.718 1.00 1.13 O ATOM 262 CB LYS A 17 21.501 2.482 4.258 1.00 1.12 C ATOM 263 CG LYS A 17 21.887 1.320 3.358 1.00 1.09 C ATOM 264 CD LYS A 17 21.924 0.021 4.143 1.00 1.00 C ATOM 265 CE LYS A 17 22.160 -1.181 3.246 1.00 1.08 C ATOM 266 NZ LYS A 17 22.443 -2.405 4.042 1.00 1.20 N ATOM 0 H LYS A 17 18.459 1.795 3.591 1.00 0.88 H new ATOM 0 HA LYS A 17 19.934 1.379 5.204 1.00 0.96 H new ATOM 0 HB2 LYS A 17 21.607 3.414 3.703 1.00 1.12 H new ATOM 0 HB3 LYS A 17 22.195 2.530 5.097 1.00 1.12 H new ATOM 0 HG2 LYS A 17 21.173 1.235 2.539 1.00 1.09 H new ATOM 0 HG3 LYS A 17 22.863 1.508 2.911 1.00 1.09 H new ATOM 0 HD2 LYS A 17 22.713 0.074 4.893 1.00 1.00 H new ATOM 0 HD3 LYS A 17 20.983 -0.106 4.678 1.00 1.00 H new ATOM 0 HE2 LYS A 17 21.284 -1.347 2.620 1.00 1.08 H new ATOM 0 HE3 LYS A 17 22.996 -0.979 2.577 1.00 1.08 H new ATOM 0 HZ1 LYS A 17 22.600 -3.208 3.400 1.00 1.20 H new ATOM 0 HZ2 LYS A 17 23.294 -2.254 4.621 1.00 1.20 H new ATOM 0 HZ3 LYS A 17 21.634 -2.610 4.662 1.00 1.20 H new ATOM 280 N ALA A 18 18.638 3.912 5.948 1.00 0.97 N ATOM 281 CA ALA A 18 18.244 4.911 6.928 1.00 1.05 C ATOM 282 C ALA A 18 16.973 4.477 7.656 1.00 0.85 C ATOM 283 O ALA A 18 16.596 3.309 7.618 1.00 0.93 O ATOM 284 CB ALA A 18 18.035 6.254 6.240 1.00 1.21 C ATOM 0 H ALA A 18 17.896 3.658 5.296 1.00 0.97 H new ATOM 0 HA ALA A 18 19.039 5.013 7.667 1.00 1.05 H new ATOM 0 HB1 ALA A 18 17.740 6.999 6.979 1.00 1.21 H new ATOM 0 HB2 ALA A 18 18.963 6.566 5.761 1.00 1.21 H new ATOM 0 HB3 ALA A 18 17.252 6.159 5.487 1.00 1.21 H new ATOM 290 N LYS A 19 16.334 5.417 8.338 1.00 0.94 N ATOM 291 CA LYS A 19 15.072 5.156 9.021 1.00 0.87 C ATOM 292 C LYS A 19 13.937 5.897 8.314 1.00 0.66 C ATOM 293 O LYS A 19 14.095 7.058 7.930 1.00 0.72 O ATOM 294 CB LYS A 19 15.181 5.592 10.491 1.00 1.18 C ATOM 295 CG LYS A 19 13.869 5.553 11.270 1.00 1.36 C ATOM 296 CD LYS A 19 13.281 4.152 11.348 1.00 1.62 C ATOM 297 CE LYS A 19 14.164 3.201 12.140 1.00 1.96 C ATOM 298 NZ LYS A 19 13.616 1.820 12.137 1.00 2.32 N ATOM 0 H LYS A 19 16.671 6.375 8.434 1.00 0.94 H new ATOM 0 HA LYS A 19 14.854 4.088 8.992 1.00 0.87 H new ATOM 0 HB2 LYS A 19 15.904 4.950 10.993 1.00 1.18 H new ATOM 0 HB3 LYS A 19 15.578 6.607 10.526 1.00 1.18 H new ATOM 0 HG2 LYS A 19 14.038 5.930 12.279 1.00 1.36 H new ATOM 0 HG3 LYS A 19 13.149 6.220 10.797 1.00 1.36 H new ATOM 0 HD2 LYS A 19 12.295 4.199 11.810 1.00 1.62 H new ATOM 0 HD3 LYS A 19 13.142 3.762 10.340 1.00 1.62 H new ATOM 0 HE2 LYS A 19 15.168 3.196 11.716 1.00 1.96 H new ATOM 0 HE3 LYS A 19 14.254 3.556 13.167 1.00 1.96 H new ATOM 0 HZ1 LYS A 19 13.996 1.294 12.950 1.00 2.32 H new ATOM 0 HZ2 LYS A 19 12.579 1.858 12.203 1.00 2.32 H new ATOM 0 HZ3 LYS A 19 13.890 1.340 11.256 1.00 2.32 H new ATOM 312 N ILE A 20 12.810 5.220 8.124 1.00 0.55 N ATOM 313 CA ILE A 20 11.647 5.832 7.498 1.00 0.46 C ATOM 314 C ILE A 20 10.711 6.426 8.549 1.00 0.53 C ATOM 315 O ILE A 20 10.290 5.748 9.490 1.00 0.66 O ATOM 316 CB ILE A 20 10.873 4.820 6.614 1.00 0.51 C ATOM 317 CG1 ILE A 20 11.496 4.723 5.210 1.00 0.43 C ATOM 318 CG2 ILE A 20 9.397 5.203 6.511 1.00 0.70 C ATOM 319 CD1 ILE A 20 10.959 5.748 4.237 1.00 0.77 C ATOM 0 H ILE A 20 12.678 4.246 8.396 1.00 0.55 H new ATOM 0 HA ILE A 20 12.013 6.633 6.856 1.00 0.46 H new ATOM 0 HB ILE A 20 10.945 3.842 7.091 1.00 0.51 H new ATOM 0 HG12 ILE A 20 12.576 4.843 5.292 1.00 0.43 H new ATOM 0 HG13 ILE A 20 11.316 3.725 4.810 1.00 0.43 H new ATOM 0 HG21 ILE A 20 8.876 4.478 5.886 1.00 0.70 H new ATOM 0 HG22 ILE A 20 8.953 5.210 7.506 1.00 0.70 H new ATOM 0 HG23 ILE A 20 9.309 6.195 6.067 1.00 0.70 H new ATOM 0 HD11 ILE A 20 11.443 5.619 3.269 1.00 0.77 H new ATOM 0 HD12 ILE A 20 9.883 5.615 4.125 1.00 0.77 H new ATOM 0 HD13 ILE A 20 11.163 6.750 4.615 1.00 0.77 H new ATOM 331 N ASN A 21 10.422 7.704 8.385 1.00 0.51 N ATOM 332 CA ASN A 21 9.439 8.396 9.201 1.00 0.59 C ATOM 333 C ASN A 21 8.616 9.308 8.310 1.00 0.67 C ATOM 334 O ASN A 21 8.721 9.228 7.086 1.00 0.69 O ATOM 335 CB ASN A 21 10.104 9.230 10.306 1.00 0.63 C ATOM 336 CG ASN A 21 10.729 8.390 11.402 1.00 1.26 C ATOM 337 OD1 ASN A 21 11.918 8.071 11.361 1.00 2.19 O ATOM 338 ND2 ASN A 21 9.930 8.026 12.393 1.00 1.85 N ATOM 0 H ASN A 21 10.864 8.294 7.680 1.00 0.51 H new ATOM 0 HA ASN A 21 8.805 7.650 9.681 1.00 0.59 H new ATOM 0 HB2 ASN A 21 10.872 9.863 9.861 1.00 0.63 H new ATOM 0 HB3 ASN A 21 9.360 9.894 10.747 1.00 0.63 H new ATOM 0 HD21 ASN A 21 10.294 7.460 13.160 1.00 1.85 H new ATOM 0 HD22 ASN A 21 8.951 8.311 12.390 1.00 1.85 H new ATOM 345 N ASN A 22 7.818 10.185 8.900 1.00 0.78 N ATOM 346 CA ASN A 22 7.088 11.179 8.113 1.00 0.97 C ATOM 347 C ASN A 22 8.056 12.225 7.555 1.00 0.99 C ATOM 348 O ASN A 22 7.695 13.043 6.711 1.00 1.18 O ATOM 349 CB ASN A 22 5.978 11.851 8.947 1.00 1.13 C ATOM 350 CG ASN A 22 6.484 12.580 10.187 1.00 1.38 C ATOM 351 OD1 ASN A 22 7.614 13.067 10.238 1.00 1.80 O ATOM 352 ND2 ASN A 22 5.637 12.672 11.199 1.00 2.01 N ATOM 0 H ASN A 22 7.658 10.233 9.906 1.00 0.78 H new ATOM 0 HA ASN A 22 6.608 10.666 7.280 1.00 0.97 H new ATOM 0 HB2 ASN A 22 5.443 12.560 8.315 1.00 1.13 H new ATOM 0 HB3 ASN A 22 5.259 11.091 9.254 1.00 1.13 H new ATOM 0 HD21 ASN A 22 5.913 13.157 12.053 1.00 2.01 H new ATOM 0 HD22 ASN A 22 4.708 12.258 11.126 1.00 2.01 H new ATOM 359 N THR A 23 9.294 12.173 8.029 1.00 0.90 N ATOM 360 CA THR A 23 10.322 13.109 7.613 1.00 1.04 C ATOM 361 C THR A 23 11.123 12.589 6.418 1.00 0.91 C ATOM 362 O THR A 23 11.870 13.344 5.791 1.00 0.91 O ATOM 363 CB THR A 23 11.273 13.418 8.782 1.00 1.27 C ATOM 364 OG1 THR A 23 11.449 12.242 9.587 1.00 1.39 O ATOM 365 CG2 THR A 23 10.735 14.557 9.635 1.00 1.78 C ATOM 0 H THR A 23 9.610 11.482 8.710 1.00 0.90 H new ATOM 0 HA THR A 23 9.816 14.024 7.303 1.00 1.04 H new ATOM 0 HB THR A 23 12.235 13.725 8.373 1.00 1.27 H new ATOM 0 HG1 THR A 23 12.057 12.442 10.330 1.00 1.39 H new ATOM 0 HG21 THR A 23 11.426 14.756 10.454 1.00 1.78 H new ATOM 0 HG22 THR A 23 10.631 15.453 9.023 1.00 1.78 H new ATOM 0 HG23 THR A 23 9.762 14.280 10.040 1.00 1.78 H new ATOM 373 N THR A 24 10.975 11.304 6.101 1.00 0.92 N ATOM 374 CA THR A 24 11.653 10.731 4.947 1.00 0.90 C ATOM 375 C THR A 24 10.952 11.180 3.665 1.00 0.80 C ATOM 376 O THR A 24 9.779 10.871 3.449 1.00 1.03 O ATOM 377 CB THR A 24 11.669 9.200 5.011 1.00 1.18 C ATOM 378 OG1 THR A 24 11.936 8.776 6.356 1.00 1.68 O ATOM 379 CG2 THR A 24 12.739 8.645 4.082 1.00 1.42 C ATOM 0 H THR A 24 10.396 10.647 6.624 1.00 0.92 H new ATOM 0 HA THR A 24 12.685 11.083 4.952 1.00 0.90 H new ATOM 0 HB THR A 24 10.696 8.824 4.695 1.00 1.18 H new ATOM 0 HG1 THR A 24 12.903 8.680 6.483 1.00 1.68 H new ATOM 0 HG21 THR A 24 12.740 7.556 4.137 1.00 1.42 H new ATOM 0 HG22 THR A 24 12.530 8.956 3.059 1.00 1.42 H new ATOM 0 HG23 THR A 24 13.715 9.024 4.384 1.00 1.42 H new ATOM 387 N ASN A 25 11.676 11.884 2.808 1.00 0.71 N ATOM 388 CA ASN A 25 11.074 12.510 1.634 1.00 0.76 C ATOM 389 C ASN A 25 11.127 11.571 0.430 1.00 0.77 C ATOM 390 O ASN A 25 11.835 11.816 -0.547 1.00 0.87 O ATOM 391 CB ASN A 25 11.780 13.840 1.324 1.00 0.90 C ATOM 392 CG ASN A 25 11.038 14.690 0.306 1.00 1.23 C ATOM 393 OD1 ASN A 25 10.152 15.470 0.656 1.00 1.82 O ATOM 394 ND2 ASN A 25 11.413 14.569 -0.956 1.00 1.98 N ATOM 0 H ASN A 25 12.680 12.038 2.901 1.00 0.71 H new ATOM 0 HA ASN A 25 10.025 12.716 1.849 1.00 0.76 H new ATOM 0 HB2 ASN A 25 11.893 14.407 2.248 1.00 0.90 H new ATOM 0 HB3 ASN A 25 12.783 13.633 0.952 1.00 0.90 H new ATOM 0 HD21 ASN A 25 10.964 15.133 -1.678 1.00 1.98 H new ATOM 0 HD22 ASN A 25 12.151 13.912 -1.208 1.00 1.98 H new ATOM 401 N LEU A 26 10.393 10.475 0.527 1.00 0.79 N ATOM 402 CA LEU A 26 10.293 9.518 -0.569 1.00 0.82 C ATOM 403 C LEU A 26 9.118 9.840 -1.479 1.00 0.74 C ATOM 404 O LEU A 26 8.806 9.062 -2.378 1.00 0.74 O ATOM 405 CB LEU A 26 10.154 8.087 -0.049 1.00 1.09 C ATOM 406 CG LEU A 26 11.404 7.489 0.591 1.00 1.55 C ATOM 407 CD1 LEU A 26 11.186 6.017 0.888 1.00 2.31 C ATOM 408 CD2 LEU A 26 12.613 7.675 -0.312 1.00 2.48 C ATOM 0 H LEU A 26 9.855 10.223 1.356 1.00 0.79 H new ATOM 0 HA LEU A 26 11.217 9.597 -1.142 1.00 0.82 H new ATOM 0 HB2 LEU A 26 9.347 8.063 0.683 1.00 1.09 H new ATOM 0 HB3 LEU A 26 9.851 7.447 -0.878 1.00 1.09 H new ATOM 0 HG LEU A 26 11.596 8.012 1.528 1.00 1.55 H new ATOM 0 HD11 LEU A 26 12.084 5.601 1.344 1.00 2.31 H new ATOM 0 HD12 LEU A 26 10.346 5.905 1.573 1.00 2.31 H new ATOM 0 HD13 LEU A 26 10.971 5.487 -0.040 1.00 2.31 H new ATOM 0 HD21 LEU A 26 13.493 7.241 0.164 1.00 2.48 H new ATOM 0 HD22 LEU A 26 12.435 7.179 -1.266 1.00 2.48 H new ATOM 0 HD23 LEU A 26 12.780 8.739 -0.482 1.00 2.48 H new ATOM 420 N ASP A 27 8.440 10.951 -1.203 1.00 0.78 N ATOM 421 CA ASP A 27 7.269 11.374 -1.978 1.00 0.89 C ATOM 422 C ASP A 27 7.540 11.296 -3.472 1.00 0.81 C ATOM 423 O ASP A 27 6.905 10.533 -4.198 1.00 0.99 O ATOM 424 CB ASP A 27 6.881 12.815 -1.630 1.00 1.04 C ATOM 425 CG ASP A 27 6.722 13.050 -0.143 1.00 1.41 C ATOM 426 OD1 ASP A 27 7.746 13.040 0.573 1.00 1.43 O ATOM 427 OD2 ASP A 27 5.585 13.281 0.308 1.00 2.18 O ATOM 0 H ASP A 27 8.683 11.583 -0.440 1.00 0.78 H new ATOM 0 HA ASP A 27 6.454 10.697 -1.722 1.00 0.89 H new ATOM 0 HB2 ASP A 27 7.641 13.493 -2.019 1.00 1.04 H new ATOM 0 HB3 ASP A 27 5.946 13.063 -2.132 1.00 1.04 H new ATOM 432 N TYR A 28 8.510 12.077 -3.914 1.00 0.70 N ATOM 433 CA TYR A 28 8.859 12.147 -5.324 1.00 0.82 C ATOM 434 C TYR A 28 9.589 10.883 -5.750 1.00 0.69 C ATOM 435 O TYR A 28 9.603 10.522 -6.926 1.00 0.83 O ATOM 436 CB TYR A 28 9.740 13.371 -5.583 1.00 1.02 C ATOM 437 CG TYR A 28 9.197 14.637 -4.966 1.00 1.16 C ATOM 438 CD1 TYR A 28 8.279 15.420 -5.652 1.00 1.32 C ATOM 439 CD2 TYR A 28 9.609 15.055 -3.709 1.00 1.24 C ATOM 440 CE1 TYR A 28 7.786 16.585 -5.103 1.00 1.48 C ATOM 441 CE2 TYR A 28 9.120 16.221 -3.152 1.00 1.38 C ATOM 442 CZ TYR A 28 8.190 16.953 -3.809 1.00 1.47 C ATOM 443 OH TYR A 28 7.719 18.146 -3.308 1.00 1.64 O ATOM 0 H TYR A 28 9.075 12.676 -3.312 1.00 0.70 H new ATOM 0 HA TYR A 28 7.943 12.236 -5.908 1.00 0.82 H new ATOM 0 HB2 TYR A 28 10.738 13.182 -5.189 1.00 1.02 H new ATOM 0 HB3 TYR A 28 9.844 13.514 -6.658 1.00 1.02 H new ATOM 0 HD1 TYR A 28 7.945 15.112 -6.632 1.00 1.32 H new ATOM 0 HD2 TYR A 28 10.322 14.460 -3.158 1.00 1.24 H new ATOM 0 HE1 TYR A 28 7.099 17.205 -5.660 1.00 1.48 H new ATOM 0 HE2 TYR A 28 9.481 16.550 -2.189 1.00 1.38 H new ATOM 0 HH TYR A 28 8.072 18.283 -2.404 1.00 1.64 H new ATOM 453 N SER A 29 10.155 10.188 -4.773 1.00 0.52 N ATOM 454 CA SER A 29 11.008 9.044 -5.042 1.00 0.50 C ATOM 455 C SER A 29 10.169 7.825 -5.338 1.00 0.43 C ATOM 456 O SER A 29 10.627 6.887 -5.981 1.00 0.43 O ATOM 457 CB SER A 29 11.908 8.762 -3.847 1.00 0.53 C ATOM 458 OG SER A 29 12.531 9.952 -3.402 1.00 0.61 O ATOM 0 H SER A 29 10.036 10.400 -3.782 1.00 0.52 H new ATOM 0 HA SER A 29 11.627 9.274 -5.909 1.00 0.50 H new ATOM 0 HB2 SER A 29 11.322 8.327 -3.038 1.00 0.53 H new ATOM 0 HB3 SER A 29 12.666 8.028 -4.121 1.00 0.53 H new ATOM 0 HG SER A 29 13.104 9.753 -2.633 1.00 0.61 H new ATOM 464 N ARG A 30 8.929 7.863 -4.878 1.00 0.42 N ATOM 465 CA ARG A 30 8.028 6.727 -4.982 1.00 0.40 C ATOM 466 C ARG A 30 7.878 6.286 -6.442 1.00 0.38 C ATOM 467 O ARG A 30 7.745 5.099 -6.725 1.00 0.39 O ATOM 468 CB ARG A 30 6.672 7.085 -4.358 1.00 0.43 C ATOM 469 CG ARG A 30 5.821 5.887 -3.973 1.00 0.49 C ATOM 470 CD ARG A 30 6.517 4.995 -2.955 1.00 0.73 C ATOM 471 NE ARG A 30 6.889 5.719 -1.735 1.00 1.07 N ATOM 472 CZ ARG A 30 7.221 5.120 -0.591 1.00 1.18 C ATOM 473 NH1 ARG A 30 7.181 3.796 -0.502 1.00 1.25 N ATOM 474 NH2 ARG A 30 7.586 5.844 0.461 1.00 1.86 N ATOM 0 H ARG A 30 8.520 8.679 -4.423 1.00 0.42 H new ATOM 0 HA ARG A 30 8.447 5.884 -4.432 1.00 0.40 H new ATOM 0 HB2 ARG A 30 6.844 7.693 -3.470 1.00 0.43 H new ATOM 0 HB3 ARG A 30 6.113 7.701 -5.063 1.00 0.43 H new ATOM 0 HG2 ARG A 30 4.872 6.233 -3.563 1.00 0.49 H new ATOM 0 HG3 ARG A 30 5.589 5.306 -4.865 1.00 0.49 H new ATOM 0 HD2 ARG A 30 5.860 4.165 -2.695 1.00 0.73 H new ATOM 0 HD3 ARG A 30 7.412 4.565 -3.405 1.00 0.73 H new ATOM 0 HE ARG A 30 6.894 6.739 -1.763 1.00 1.07 H new ATOM 0 HH11 ARG A 30 6.897 3.239 -1.308 1.00 1.25 H new ATOM 0 HH12 ARG A 30 7.435 3.336 0.372 1.00 1.25 H new ATOM 0 HH21 ARG A 30 7.613 6.862 0.395 1.00 1.86 H new ATOM 0 HH22 ARG A 30 7.839 5.382 1.335 1.00 1.86 H new ATOM 488 N ARG A 31 7.956 7.238 -7.367 1.00 0.39 N ATOM 489 CA ARG A 31 7.841 6.927 -8.789 1.00 0.43 C ATOM 490 C ARG A 31 9.097 6.220 -9.315 1.00 0.42 C ATOM 491 O ARG A 31 9.017 5.406 -10.232 1.00 0.51 O ATOM 492 CB ARG A 31 7.557 8.196 -9.598 1.00 0.55 C ATOM 493 CG ARG A 31 7.357 7.943 -11.085 1.00 1.16 C ATOM 494 CD ARG A 31 6.384 8.940 -11.688 1.00 1.92 C ATOM 495 NE ARG A 31 5.068 8.837 -11.060 1.00 2.67 N ATOM 496 CZ ARG A 31 4.181 9.824 -11.007 1.00 3.57 C ATOM 497 NH1 ARG A 31 4.407 10.966 -11.644 1.00 3.96 N ATOM 498 NH2 ARG A 31 3.045 9.649 -10.342 1.00 4.35 N ATOM 0 H ARG A 31 8.098 8.227 -7.160 1.00 0.39 H new ATOM 0 HA ARG A 31 7.002 6.242 -8.910 1.00 0.43 H new ATOM 0 HB2 ARG A 31 6.666 8.679 -9.198 1.00 0.55 H new ATOM 0 HB3 ARG A 31 8.384 8.893 -9.465 1.00 0.55 H new ATOM 0 HG2 ARG A 31 8.315 8.010 -11.600 1.00 1.16 H new ATOM 0 HG3 ARG A 31 6.984 6.930 -11.237 1.00 1.16 H new ATOM 0 HD2 ARG A 31 6.771 9.951 -11.564 1.00 1.92 H new ATOM 0 HD3 ARG A 31 6.294 8.762 -12.760 1.00 1.92 H new ATOM 0 HE ARG A 31 4.814 7.946 -10.633 1.00 2.67 H new ATOM 0 HH11 ARG A 31 5.267 11.090 -12.179 1.00 3.96 H new ATOM 0 HH12 ARG A 31 3.721 11.720 -11.599 1.00 3.96 H new ATOM 0 HH21 ARG A 31 2.858 8.761 -9.876 1.00 4.35 H new ATOM 0 HH22 ARG A 31 2.359 10.403 -10.297 1.00 4.35 H new ATOM 512 N PHE A 32 10.255 6.517 -8.732 1.00 0.39 N ATOM 513 CA PHE A 32 11.486 5.823 -9.118 1.00 0.42 C ATOM 514 C PHE A 32 11.597 4.533 -8.325 1.00 0.40 C ATOM 515 O PHE A 32 12.430 3.675 -8.613 1.00 0.47 O ATOM 516 CB PHE A 32 12.737 6.674 -8.863 1.00 0.53 C ATOM 517 CG PHE A 32 12.526 8.156 -8.953 1.00 1.08 C ATOM 518 CD1 PHE A 32 12.179 8.729 -10.161 1.00 2.08 C ATOM 519 CD2 PHE A 32 12.670 8.972 -7.842 1.00 1.15 C ATOM 520 CE1 PHE A 32 11.980 10.086 -10.271 1.00 3.15 C ATOM 521 CE2 PHE A 32 12.472 10.334 -7.944 1.00 2.18 C ATOM 522 CZ PHE A 32 12.145 10.901 -9.077 1.00 3.19 C ATOM 0 H PHE A 32 10.370 7.221 -8.003 1.00 0.39 H new ATOM 0 HA PHE A 32 11.432 5.622 -10.188 1.00 0.42 H new ATOM 0 HB2 PHE A 32 13.123 6.437 -7.872 1.00 0.53 H new ATOM 0 HB3 PHE A 32 13.505 6.388 -9.581 1.00 0.53 H new ATOM 0 HD1 PHE A 32 12.062 8.102 -11.033 1.00 2.08 H new ATOM 0 HD2 PHE A 32 12.939 8.539 -6.890 1.00 1.15 H new ATOM 0 HE1 PHE A 32 11.709 10.533 -11.216 1.00 3.15 H new ATOM 0 HE2 PHE A 32 12.590 10.949 -7.064 1.00 2.18 H new ATOM 0 HZ PHE A 32 11.998 11.970 -9.126 1.00 3.19 H new ATOM 532 N LEU A 33 10.751 4.412 -7.317 1.00 0.34 N ATOM 533 CA LEU A 33 10.667 3.195 -6.538 1.00 0.34 C ATOM 534 C LEU A 33 9.768 2.194 -7.257 1.00 0.32 C ATOM 535 O LEU A 33 9.820 0.997 -6.987 1.00 0.37 O ATOM 536 CB LEU A 33 10.151 3.503 -5.128 1.00 0.34 C ATOM 537 CG LEU A 33 11.018 4.479 -4.324 1.00 0.39 C ATOM 538 CD1 LEU A 33 10.427 4.717 -2.945 1.00 0.39 C ATOM 539 CD2 LEU A 33 12.444 3.962 -4.210 1.00 0.47 C ATOM 0 H LEU A 33 10.110 5.148 -7.020 1.00 0.34 H new ATOM 0 HA LEU A 33 11.659 2.754 -6.436 1.00 0.34 H new ATOM 0 HB2 LEU A 33 9.144 3.914 -5.207 1.00 0.34 H new ATOM 0 HB3 LEU A 33 10.072 2.568 -4.573 1.00 0.34 H new ATOM 0 HG LEU A 33 11.038 5.430 -4.856 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.059 5.413 -2.393 1.00 0.39 H new ATOM 0 HD12 LEU A 33 9.426 5.138 -3.046 1.00 0.39 H new ATOM 0 HD13 LEU A 33 10.371 3.772 -2.405 1.00 0.39 H new ATOM 0 HD21 LEU A 33 13.043 4.669 -3.636 1.00 0.47 H new ATOM 0 HD22 LEU A 33 12.441 2.996 -3.706 1.00 0.47 H new ATOM 0 HD23 LEU A 33 12.871 3.850 -5.207 1.00 0.47 H new ATOM 551 N GLU A 34 8.951 2.699 -8.187 1.00 0.30 N ATOM 552 CA GLU A 34 8.147 1.839 -9.059 1.00 0.29 C ATOM 553 C GLU A 34 8.994 0.790 -9.774 1.00 0.32 C ATOM 554 O GLU A 34 8.680 -0.396 -9.702 1.00 0.32 O ATOM 555 CB GLU A 34 7.388 2.654 -10.105 1.00 0.31 C ATOM 556 CG GLU A 34 6.059 3.164 -9.620 1.00 0.35 C ATOM 557 CD GLU A 34 5.192 3.697 -10.740 1.00 0.52 C ATOM 558 OE1 GLU A 34 5.391 4.857 -11.158 1.00 0.67 O ATOM 559 OE2 GLU A 34 4.308 2.952 -11.211 1.00 0.82 O ATOM 0 H GLU A 34 8.830 3.698 -8.355 1.00 0.30 H new ATOM 0 HA GLU A 34 7.437 1.332 -8.406 1.00 0.29 H new ATOM 0 HB2 GLU A 34 8.003 3.500 -10.411 1.00 0.31 H new ATOM 0 HB3 GLU A 34 7.231 2.038 -10.990 1.00 0.31 H new ATOM 0 HG2 GLU A 34 5.531 2.359 -9.109 1.00 0.35 H new ATOM 0 HG3 GLU A 34 6.223 3.953 -8.887 1.00 0.35 H new ATOM 566 N PRO A 35 10.072 1.193 -10.482 1.00 0.35 N ATOM 567 CA PRO A 35 10.936 0.244 -11.176 1.00 0.37 C ATOM 568 C PRO A 35 11.484 -0.839 -10.246 1.00 0.36 C ATOM 569 O PRO A 35 11.673 -1.989 -10.649 1.00 0.38 O ATOM 570 CB PRO A 35 12.082 1.106 -11.710 1.00 0.45 C ATOM 571 CG PRO A 35 11.507 2.470 -11.821 1.00 0.51 C ATOM 572 CD PRO A 35 10.501 2.585 -10.714 1.00 0.38 C ATOM 0 HA PRO A 35 10.391 -0.291 -11.954 1.00 0.37 H new ATOM 0 HB2 PRO A 35 12.937 1.091 -11.034 1.00 0.45 H new ATOM 0 HB3 PRO A 35 12.433 0.744 -12.677 1.00 0.45 H new ATOM 0 HG2 PRO A 35 12.283 3.230 -11.724 1.00 0.51 H new ATOM 0 HG3 PRO A 35 11.036 2.617 -12.793 1.00 0.51 H new ATOM 0 HD2 PRO A 35 10.941 3.023 -9.818 1.00 0.38 H new ATOM 0 HD3 PRO A 35 9.662 3.220 -11.000 1.00 0.38 H new ATOM 580 N PHE A 36 11.714 -0.463 -8.994 1.00 0.35 N ATOM 581 CA PHE A 36 12.263 -1.374 -8.000 1.00 0.38 C ATOM 582 C PHE A 36 11.185 -2.329 -7.497 1.00 0.34 C ATOM 583 O PHE A 36 11.469 -3.444 -7.061 1.00 0.43 O ATOM 584 CB PHE A 36 12.856 -0.565 -6.840 1.00 0.46 C ATOM 585 CG PHE A 36 13.549 -1.394 -5.796 1.00 0.52 C ATOM 586 CD1 PHE A 36 14.758 -2.013 -6.072 1.00 0.62 C ATOM 587 CD2 PHE A 36 12.984 -1.567 -4.544 1.00 0.64 C ATOM 588 CE1 PHE A 36 15.391 -2.784 -5.116 1.00 0.69 C ATOM 589 CE2 PHE A 36 13.611 -2.338 -3.586 1.00 0.72 C ATOM 590 CZ PHE A 36 14.843 -2.908 -3.858 1.00 0.70 C ATOM 0 H PHE A 36 11.526 0.476 -8.642 1.00 0.35 H new ATOM 0 HA PHE A 36 13.052 -1.971 -8.457 1.00 0.38 H new ATOM 0 HB2 PHE A 36 13.566 0.158 -7.243 1.00 0.46 H new ATOM 0 HB3 PHE A 36 12.057 0.004 -6.364 1.00 0.46 H new ATOM 0 HD1 PHE A 36 15.210 -1.891 -7.045 1.00 0.62 H new ATOM 0 HD2 PHE A 36 12.041 -1.093 -4.314 1.00 0.64 H new ATOM 0 HE1 PHE A 36 16.315 -3.289 -5.355 1.00 0.69 H new ATOM 0 HE2 PHE A 36 13.142 -2.496 -2.626 1.00 0.72 H new ATOM 0 HZ PHE A 36 15.373 -3.448 -3.087 1.00 0.70 H new ATOM 600 N LEU A 37 9.944 -1.886 -7.588 1.00 0.27 N ATOM 601 CA LEU A 37 8.806 -2.653 -7.101 1.00 0.26 C ATOM 602 C LEU A 37 8.161 -3.451 -8.229 1.00 0.25 C ATOM 603 O LEU A 37 7.252 -4.246 -7.998 1.00 0.30 O ATOM 604 CB LEU A 37 7.778 -1.707 -6.474 1.00 0.30 C ATOM 605 CG LEU A 37 7.995 -1.348 -4.995 1.00 0.39 C ATOM 606 CD1 LEU A 37 9.470 -1.193 -4.660 1.00 0.68 C ATOM 607 CD2 LEU A 37 7.260 -0.064 -4.670 1.00 0.99 C ATOM 0 H LEU A 37 9.694 -0.987 -8.000 1.00 0.27 H new ATOM 0 HA LEU A 37 9.160 -3.357 -6.348 1.00 0.26 H new ATOM 0 HB2 LEU A 37 7.766 -0.783 -7.052 1.00 0.30 H new ATOM 0 HB3 LEU A 37 6.791 -2.159 -6.575 1.00 0.30 H new ATOM 0 HG LEU A 37 7.602 -2.167 -4.392 1.00 0.39 H new ATOM 0 HD11 LEU A 37 9.579 -0.939 -3.606 1.00 0.68 H new ATOM 0 HD12 LEU A 37 9.990 -2.129 -4.864 1.00 0.68 H new ATOM 0 HD13 LEU A 37 9.900 -0.399 -5.270 1.00 0.68 H new ATOM 0 HD21 LEU A 37 7.415 0.189 -3.621 1.00 0.99 H new ATOM 0 HD22 LEU A 37 7.641 0.742 -5.297 1.00 0.99 H new ATOM 0 HD23 LEU A 37 6.195 -0.197 -4.857 1.00 0.99 H new ATOM 619 N ARG A 38 8.633 -3.234 -9.450 1.00 0.24 N ATOM 620 CA ARG A 38 8.085 -3.916 -10.615 1.00 0.27 C ATOM 621 C ARG A 38 8.309 -5.424 -10.519 1.00 0.25 C ATOM 622 O ARG A 38 9.437 -5.906 -10.641 1.00 0.36 O ATOM 623 CB ARG A 38 8.720 -3.377 -11.900 1.00 0.33 C ATOM 624 CG ARG A 38 8.125 -3.976 -13.165 1.00 1.01 C ATOM 625 CD ARG A 38 8.887 -3.550 -14.410 1.00 1.12 C ATOM 626 NE ARG A 38 10.307 -3.887 -14.321 1.00 1.86 N ATOM 627 CZ ARG A 38 10.868 -4.948 -14.904 1.00 2.37 C ATOM 628 NH1 ARG A 38 10.134 -5.787 -15.626 1.00 2.26 N ATOM 629 NH2 ARG A 38 12.164 -5.173 -14.753 1.00 3.39 N ATOM 0 H ARG A 38 9.396 -2.590 -9.659 1.00 0.24 H new ATOM 0 HA ARG A 38 7.012 -3.725 -10.642 1.00 0.27 H new ATOM 0 HB2 ARG A 38 8.601 -2.294 -11.929 1.00 0.33 H new ATOM 0 HB3 ARG A 38 9.791 -3.579 -11.880 1.00 0.33 H new ATOM 0 HG2 ARG A 38 8.133 -5.063 -13.090 1.00 1.01 H new ATOM 0 HG3 ARG A 38 7.083 -3.670 -13.255 1.00 1.01 H new ATOM 0 HD2 ARG A 38 8.453 -4.034 -15.285 1.00 1.12 H new ATOM 0 HD3 ARG A 38 8.777 -2.475 -14.553 1.00 1.12 H new ATOM 0 HE ARG A 38 10.909 -3.269 -13.777 1.00 1.86 H new ATOM 0 HH11 ARG A 38 9.134 -5.623 -15.738 1.00 2.26 H new ATOM 0 HH12 ARG A 38 10.571 -6.596 -16.068 1.00 2.26 H new ATOM 0 HH21 ARG A 38 12.730 -4.536 -14.192 1.00 3.39 H new ATOM 0 HH22 ARG A 38 12.596 -5.983 -15.197 1.00 3.39 H new ATOM 643 N GLY A 39 7.233 -6.158 -10.280 1.00 0.19 N ATOM 644 CA GLY A 39 7.305 -7.602 -10.220 1.00 0.23 C ATOM 645 C GLY A 39 7.753 -8.111 -8.865 1.00 0.22 C ATOM 646 O GLY A 39 8.639 -8.966 -8.778 1.00 0.30 O ATOM 0 H GLY A 39 6.301 -5.773 -10.125 1.00 0.19 H new ATOM 0 HA2 GLY A 39 6.326 -8.020 -10.455 1.00 0.23 H new ATOM 0 HA3 GLY A 39 7.996 -7.959 -10.984 1.00 0.23 H new ATOM 650 N ILE A 40 7.160 -7.578 -7.805 1.00 0.18 N ATOM 651 CA ILE A 40 7.435 -8.081 -6.456 1.00 0.19 C ATOM 652 C ILE A 40 6.175 -8.708 -5.874 1.00 0.20 C ATOM 653 O ILE A 40 5.100 -8.579 -6.451 1.00 0.23 O ATOM 654 CB ILE A 40 7.960 -6.985 -5.495 1.00 0.21 C ATOM 655 CG1 ILE A 40 6.916 -5.881 -5.299 1.00 0.20 C ATOM 656 CG2 ILE A 40 9.267 -6.405 -6.018 1.00 0.23 C ATOM 657 CD1 ILE A 40 7.305 -4.845 -4.264 1.00 0.20 C ATOM 0 H ILE A 40 6.493 -6.807 -7.846 1.00 0.18 H new ATOM 0 HA ILE A 40 8.224 -8.827 -6.552 1.00 0.19 H new ATOM 0 HB ILE A 40 8.148 -7.443 -4.524 1.00 0.21 H new ATOM 0 HG12 ILE A 40 6.746 -5.381 -6.253 1.00 0.20 H new ATOM 0 HG13 ILE A 40 5.970 -6.337 -5.005 1.00 0.20 H new ATOM 0 HG21 ILE A 40 9.624 -5.636 -5.333 1.00 0.23 H new ATOM 0 HG22 ILE A 40 10.012 -7.197 -6.094 1.00 0.23 H new ATOM 0 HG23 ILE A 40 9.102 -5.966 -7.002 1.00 0.23 H new ATOM 0 HD11 ILE A 40 6.516 -4.098 -4.183 1.00 0.20 H new ATOM 0 HD12 ILE A 40 7.446 -5.331 -3.298 1.00 0.20 H new ATOM 0 HD13 ILE A 40 8.234 -4.360 -4.565 1.00 0.20 H new ATOM 669 N ASN A 41 6.297 -9.387 -4.743 1.00 0.25 N ATOM 670 CA ASN A 41 5.143 -10.015 -4.125 1.00 0.25 C ATOM 671 C ASN A 41 5.020 -9.541 -2.690 1.00 0.25 C ATOM 672 O ASN A 41 5.937 -9.724 -1.890 1.00 0.38 O ATOM 673 CB ASN A 41 5.264 -11.543 -4.172 1.00 0.39 C ATOM 674 CG ASN A 41 5.179 -12.096 -5.584 1.00 1.43 C ATOM 675 OD1 ASN A 41 6.180 -12.181 -6.294 1.00 2.29 O ATOM 676 ND2 ASN A 41 3.984 -12.495 -6.000 1.00 2.16 N ATOM 0 H ASN A 41 7.175 -9.516 -4.240 1.00 0.25 H new ATOM 0 HA ASN A 41 4.248 -9.731 -4.678 1.00 0.25 H new ATOM 0 HB2 ASN A 41 6.213 -11.842 -3.726 1.00 0.39 H new ATOM 0 HB3 ASN A 41 4.473 -11.985 -3.565 1.00 0.39 H new ATOM 0 HD21 ASN A 41 3.874 -12.887 -6.935 1.00 2.16 H new ATOM 0 HD22 ASN A 41 3.175 -12.410 -5.385 1.00 2.16 H new ATOM 683 N VAL A 42 3.891 -8.930 -2.368 1.00 0.19 N ATOM 684 CA VAL A 42 3.693 -8.363 -1.046 1.00 0.20 C ATOM 685 C VAL A 42 2.446 -8.937 -0.395 1.00 0.18 C ATOM 686 O VAL A 42 1.396 -9.041 -1.022 1.00 0.19 O ATOM 687 CB VAL A 42 3.578 -6.821 -1.086 1.00 0.25 C ATOM 688 CG1 VAL A 42 4.897 -6.192 -1.501 1.00 0.31 C ATOM 689 CG2 VAL A 42 2.464 -6.381 -2.023 1.00 0.27 C ATOM 0 H VAL A 42 3.101 -8.815 -3.003 1.00 0.19 H new ATOM 0 HA VAL A 42 4.572 -8.628 -0.458 1.00 0.20 H new ATOM 0 HB VAL A 42 3.333 -6.479 -0.080 1.00 0.25 H new ATOM 0 HG11 VAL A 42 4.792 -5.107 -1.522 1.00 0.31 H new ATOM 0 HG12 VAL A 42 5.672 -6.468 -0.786 1.00 0.31 H new ATOM 0 HG13 VAL A 42 5.174 -6.549 -2.493 1.00 0.31 H new ATOM 0 HG21 VAL A 42 2.405 -5.293 -2.032 1.00 0.27 H new ATOM 0 HG22 VAL A 42 2.672 -6.742 -3.030 1.00 0.27 H new ATOM 0 HG23 VAL A 42 1.515 -6.793 -1.679 1.00 0.27 H new ATOM 699 N VAL A 43 2.572 -9.322 0.854 1.00 0.18 N ATOM 700 CA VAL A 43 1.440 -9.785 1.623 1.00 0.18 C ATOM 701 C VAL A 43 0.763 -8.590 2.268 1.00 0.19 C ATOM 702 O VAL A 43 1.286 -8.001 3.216 1.00 0.29 O ATOM 703 CB VAL A 43 1.859 -10.793 2.714 1.00 0.23 C ATOM 704 CG1 VAL A 43 0.638 -11.345 3.439 1.00 0.79 C ATOM 705 CG2 VAL A 43 2.684 -11.921 2.113 1.00 0.70 C ATOM 0 H VAL A 43 3.456 -9.323 1.363 1.00 0.18 H new ATOM 0 HA VAL A 43 0.754 -10.297 0.948 1.00 0.18 H new ATOM 0 HB VAL A 43 2.477 -10.268 3.443 1.00 0.23 H new ATOM 0 HG11 VAL A 43 0.958 -12.053 4.203 1.00 0.79 H new ATOM 0 HG12 VAL A 43 0.093 -10.526 3.908 1.00 0.79 H new ATOM 0 HG13 VAL A 43 -0.011 -11.851 2.725 1.00 0.79 H new ATOM 0 HG21 VAL A 43 2.970 -12.621 2.898 1.00 0.70 H new ATOM 0 HG22 VAL A 43 2.093 -12.442 1.359 1.00 0.70 H new ATOM 0 HG23 VAL A 43 3.581 -11.509 1.650 1.00 0.70 H new ATOM 715 N TYR A 44 -0.377 -8.209 1.726 1.00 0.15 N ATOM 716 CA TYR A 44 -1.123 -7.089 2.255 1.00 0.19 C ATOM 717 C TYR A 44 -1.903 -7.528 3.482 1.00 0.21 C ATOM 718 O TYR A 44 -2.798 -8.367 3.390 1.00 0.29 O ATOM 719 CB TYR A 44 -2.069 -6.523 1.193 1.00 0.24 C ATOM 720 CG TYR A 44 -3.081 -5.547 1.745 1.00 0.29 C ATOM 721 CD1 TYR A 44 -2.702 -4.275 2.154 1.00 0.35 C ATOM 722 CD2 TYR A 44 -4.416 -5.908 1.872 1.00 0.38 C ATOM 723 CE1 TYR A 44 -3.628 -3.388 2.673 1.00 0.41 C ATOM 724 CE2 TYR A 44 -5.345 -5.030 2.391 1.00 0.44 C ATOM 725 CZ TYR A 44 -4.947 -3.773 2.790 1.00 0.42 C ATOM 726 OH TYR A 44 -5.871 -2.901 3.315 1.00 0.50 O ATOM 0 H TYR A 44 -0.806 -8.661 0.918 1.00 0.15 H new ATOM 0 HA TYR A 44 -0.425 -6.302 2.540 1.00 0.19 H new ATOM 0 HB2 TYR A 44 -1.481 -6.026 0.422 1.00 0.24 H new ATOM 0 HB3 TYR A 44 -2.596 -7.347 0.711 1.00 0.24 H new ATOM 0 HD1 TYR A 44 -1.669 -3.974 2.066 1.00 0.35 H new ATOM 0 HD2 TYR A 44 -4.732 -6.892 1.559 1.00 0.38 H new ATOM 0 HE1 TYR A 44 -3.320 -2.401 2.984 1.00 0.41 H new ATOM 0 HE2 TYR A 44 -6.379 -5.327 2.484 1.00 0.44 H new ATOM 0 HH TYR A 44 -5.453 -2.025 3.452 1.00 0.50 H new ATOM 736 N THR A 45 -1.544 -6.974 4.627 1.00 0.23 N ATOM 737 CA THR A 45 -2.212 -7.311 5.866 1.00 0.29 C ATOM 738 C THR A 45 -3.136 -6.172 6.285 1.00 0.27 C ATOM 739 O THR A 45 -2.678 -5.130 6.758 1.00 0.30 O ATOM 740 CB THR A 45 -1.191 -7.603 6.982 1.00 0.39 C ATOM 741 OG1 THR A 45 -0.233 -8.561 6.512 1.00 1.25 O ATOM 742 CG2 THR A 45 -1.879 -8.139 8.232 1.00 1.13 C ATOM 0 H THR A 45 -0.794 -6.289 4.722 1.00 0.23 H new ATOM 0 HA THR A 45 -2.803 -8.212 5.703 1.00 0.29 H new ATOM 0 HB THR A 45 -0.690 -6.671 7.243 1.00 0.39 H new ATOM 0 HG1 THR A 45 0.418 -8.747 7.220 1.00 1.25 H new ATOM 0 HG21 THR A 45 -1.133 -8.336 9.002 1.00 1.13 H new ATOM 0 HG22 THR A 45 -2.593 -7.402 8.599 1.00 1.13 H new ATOM 0 HG23 THR A 45 -2.404 -9.063 7.991 1.00 1.13 H new ATOM 750 N PRO A 46 -4.454 -6.354 6.095 1.00 0.30 N ATOM 751 CA PRO A 46 -5.453 -5.344 6.447 1.00 0.33 C ATOM 752 C PRO A 46 -5.376 -4.964 7.918 1.00 0.32 C ATOM 753 O PRO A 46 -5.251 -5.836 8.787 1.00 0.35 O ATOM 754 CB PRO A 46 -6.788 -6.030 6.141 1.00 0.40 C ATOM 755 CG PRO A 46 -6.453 -7.095 5.158 1.00 0.43 C ATOM 756 CD PRO A 46 -5.072 -7.558 5.516 1.00 0.38 C ATOM 0 HA PRO A 46 -5.308 -4.415 5.896 1.00 0.33 H new ATOM 0 HB2 PRO A 46 -7.232 -6.450 7.043 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -7.510 -5.325 5.729 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -7.168 -7.916 5.212 1.00 0.43 H new ATOM 0 HG3 PRO A 46 -6.485 -6.711 4.138 1.00 0.43 H new ATOM 0 HD2 PRO A 46 -5.096 -8.382 6.230 1.00 0.38 H new ATOM 0 HD3 PRO A 46 -4.526 -7.910 4.641 1.00 0.38 H new ATOM 764 N PRO A 47 -5.431 -3.653 8.208 1.00 0.33 N ATOM 765 CA PRO A 47 -5.380 -3.130 9.576 1.00 0.37 C ATOM 766 C PRO A 47 -6.393 -3.811 10.484 1.00 0.40 C ATOM 767 O PRO A 47 -7.441 -4.279 10.039 1.00 0.41 O ATOM 768 CB PRO A 47 -5.732 -1.652 9.408 1.00 0.37 C ATOM 769 CG PRO A 47 -5.334 -1.321 8.014 1.00 0.48 C ATOM 770 CD PRO A 47 -5.541 -2.575 7.209 1.00 0.35 C ATOM 0 HA PRO A 47 -4.409 -3.299 10.042 1.00 0.37 H new ATOM 0 HB2 PRO A 47 -6.796 -1.479 9.567 1.00 0.37 H new ATOM 0 HB3 PRO A 47 -5.197 -1.034 10.129 1.00 0.37 H new ATOM 0 HG2 PRO A 47 -5.937 -0.502 7.621 1.00 0.48 H new ATOM 0 HG3 PRO A 47 -4.293 -0.999 7.972 1.00 0.48 H new ATOM 0 HD2 PRO A 47 -6.515 -2.580 6.719 1.00 0.35 H new ATOM 0 HD3 PRO A 47 -4.790 -2.677 6.426 1.00 0.35 H new ATOM 778 N GLN A 48 -6.049 -3.852 11.766 1.00 0.52 N ATOM 779 CA GLN A 48 -6.805 -4.574 12.789 1.00 0.63 C ATOM 780 C GLN A 48 -8.295 -4.231 12.794 1.00 0.57 C ATOM 781 O GLN A 48 -9.120 -5.066 13.159 1.00 0.68 O ATOM 782 CB GLN A 48 -6.202 -4.278 14.163 1.00 0.83 C ATOM 783 CG GLN A 48 -5.992 -2.795 14.425 1.00 0.89 C ATOM 784 CD GLN A 48 -5.357 -2.529 15.772 1.00 1.22 C ATOM 785 OE1 GLN A 48 -6.048 -2.346 16.770 1.00 1.54 O ATOM 786 NE2 GLN A 48 -4.035 -2.507 15.813 1.00 1.92 N ATOM 0 H GLN A 48 -5.224 -3.377 12.132 1.00 0.52 H new ATOM 0 HA GLN A 48 -6.731 -5.636 12.553 1.00 0.63 H new ATOM 0 HB2 GLN A 48 -6.856 -4.686 14.934 1.00 0.83 H new ATOM 0 HB3 GLN A 48 -5.246 -4.794 14.250 1.00 0.83 H new ATOM 0 HG2 GLN A 48 -5.361 -2.377 13.641 1.00 0.89 H new ATOM 0 HG3 GLN A 48 -6.951 -2.280 14.371 1.00 0.89 H new ATOM 0 HE21 GLN A 48 -3.496 -2.664 14.962 1.00 1.92 H new ATOM 0 HE22 GLN A 48 -3.555 -2.333 16.696 1.00 1.92 H new ATOM 795 N SER A 49 -8.636 -3.012 12.395 1.00 0.49 N ATOM 796 CA SER A 49 -10.024 -2.571 12.394 1.00 0.51 C ATOM 797 C SER A 49 -10.776 -3.084 11.160 1.00 0.51 C ATOM 798 O SER A 49 -12.007 -3.058 11.115 1.00 0.59 O ATOM 799 CB SER A 49 -10.072 -1.048 12.456 1.00 0.56 C ATOM 800 OG SER A 49 -9.248 -0.556 13.503 1.00 1.58 O ATOM 0 H SER A 49 -7.970 -2.312 12.068 1.00 0.49 H new ATOM 0 HA SER A 49 -10.520 -2.986 13.271 1.00 0.51 H new ATOM 0 HB2 SER A 49 -9.744 -0.631 11.504 1.00 0.56 H new ATOM 0 HB3 SER A 49 -11.099 -0.719 12.611 1.00 0.56 H new ATOM 0 HG SER A 49 -9.757 0.079 14.049 1.00 1.58 H new ATOM 806 N PHE A 50 -10.035 -3.554 10.162 1.00 0.47 N ATOM 807 CA PHE A 50 -10.641 -4.120 8.959 1.00 0.51 C ATOM 808 C PHE A 50 -11.157 -5.518 9.237 1.00 0.58 C ATOM 809 O PHE A 50 -12.177 -5.938 8.693 1.00 0.67 O ATOM 810 CB PHE A 50 -9.639 -4.177 7.806 1.00 0.49 C ATOM 811 CG PHE A 50 -9.445 -2.878 7.085 1.00 0.50 C ATOM 812 CD1 PHE A 50 -8.895 -1.783 7.727 1.00 0.50 C ATOM 813 CD2 PHE A 50 -9.796 -2.765 5.751 1.00 0.69 C ATOM 814 CE1 PHE A 50 -8.699 -0.595 7.051 1.00 0.57 C ATOM 815 CE2 PHE A 50 -9.606 -1.579 5.070 1.00 0.76 C ATOM 816 CZ PHE A 50 -9.054 -0.492 5.722 1.00 0.65 C ATOM 0 H PHE A 50 -9.015 -3.555 10.161 1.00 0.47 H new ATOM 0 HA PHE A 50 -11.469 -3.471 8.673 1.00 0.51 H new ATOM 0 HB2 PHE A 50 -8.676 -4.509 8.194 1.00 0.49 H new ATOM 0 HB3 PHE A 50 -9.971 -4.929 7.090 1.00 0.49 H new ATOM 0 HD1 PHE A 50 -8.616 -1.858 8.768 1.00 0.50 H new ATOM 0 HD2 PHE A 50 -10.223 -3.614 5.237 1.00 0.69 H new ATOM 0 HE1 PHE A 50 -8.268 0.253 7.562 1.00 0.57 H new ATOM 0 HE2 PHE A 50 -9.888 -1.501 4.030 1.00 0.76 H new ATOM 0 HZ PHE A 50 -8.901 0.436 5.192 1.00 0.65 H new ATOM 826 N GLN A 51 -10.417 -6.231 10.089 1.00 0.58 N ATOM 827 CA GLN A 51 -10.759 -7.594 10.487 1.00 0.67 C ATOM 828 C GLN A 51 -10.796 -8.523 9.277 1.00 0.65 C ATOM 829 O GLN A 51 -11.446 -9.568 9.300 1.00 0.88 O ATOM 830 CB GLN A 51 -12.099 -7.613 11.225 1.00 0.82 C ATOM 831 CG GLN A 51 -12.129 -6.691 12.432 1.00 0.94 C ATOM 832 CD GLN A 51 -13.478 -6.669 13.113 1.00 1.28 C ATOM 833 OE1 GLN A 51 -13.733 -7.451 14.030 1.00 1.77 O ATOM 834 NE2 GLN A 51 -14.351 -5.778 12.670 1.00 1.99 N ATOM 0 H GLN A 51 -9.564 -5.877 10.521 1.00 0.58 H new ATOM 0 HA GLN A 51 -9.986 -7.956 11.164 1.00 0.67 H new ATOM 0 HB2 GLN A 51 -12.891 -7.323 10.535 1.00 0.82 H new ATOM 0 HB3 GLN A 51 -12.314 -8.631 11.548 1.00 0.82 H new ATOM 0 HG2 GLN A 51 -11.370 -7.010 13.147 1.00 0.94 H new ATOM 0 HG3 GLN A 51 -11.868 -5.680 12.119 1.00 0.94 H new ATOM 0 HE21 GLN A 51 -14.096 -5.150 11.908 1.00 1.99 H new ATOM 0 HE22 GLN A 51 -15.278 -5.720 13.091 1.00 1.99 H new ATOM 843 N SER A 52 -10.093 -8.128 8.225 1.00 0.51 N ATOM 844 CA SER A 52 -10.032 -8.907 7.001 1.00 0.51 C ATOM 845 C SER A 52 -8.718 -9.683 6.938 1.00 0.43 C ATOM 846 O SER A 52 -7.693 -9.228 7.453 1.00 0.44 O ATOM 847 CB SER A 52 -10.166 -7.982 5.791 1.00 0.53 C ATOM 848 OG SER A 52 -11.330 -7.178 5.901 1.00 1.35 O ATOM 0 H SER A 52 -9.553 -7.263 8.198 1.00 0.51 H new ATOM 0 HA SER A 52 -10.856 -9.621 6.989 1.00 0.51 H new ATOM 0 HB2 SER A 52 -9.284 -7.346 5.714 1.00 0.53 H new ATOM 0 HB3 SER A 52 -10.212 -8.575 4.877 1.00 0.53 H new ATOM 0 HG SER A 52 -11.398 -6.592 5.119 1.00 1.35 H new ATOM 854 N ALA A 53 -8.763 -10.855 6.322 1.00 0.46 N ATOM 855 CA ALA A 53 -7.593 -11.721 6.212 1.00 0.43 C ATOM 856 C ALA A 53 -6.570 -11.151 5.232 1.00 0.36 C ATOM 857 O ALA A 53 -6.937 -10.594 4.195 1.00 0.38 O ATOM 858 CB ALA A 53 -8.023 -13.112 5.776 1.00 0.50 C ATOM 0 H ALA A 53 -9.604 -11.233 5.886 1.00 0.46 H new ATOM 0 HA ALA A 53 -7.117 -11.780 7.191 1.00 0.43 H new ATOM 0 HB1 ALA A 53 -7.147 -13.755 5.695 1.00 0.50 H new ATOM 0 HB2 ALA A 53 -8.711 -13.527 6.512 1.00 0.50 H new ATOM 0 HB3 ALA A 53 -8.520 -13.052 4.808 1.00 0.50 H new ATOM 864 N PRO A 54 -5.271 -11.273 5.563 1.00 0.33 N ATOM 865 CA PRO A 54 -4.183 -10.793 4.707 1.00 0.30 C ATOM 866 C PRO A 54 -4.027 -11.630 3.441 1.00 0.28 C ATOM 867 O PRO A 54 -4.200 -12.850 3.464 1.00 0.29 O ATOM 868 CB PRO A 54 -2.943 -10.923 5.594 1.00 0.35 C ATOM 869 CG PRO A 54 -3.283 -11.985 6.582 1.00 0.56 C ATOM 870 CD PRO A 54 -4.767 -11.893 6.803 1.00 0.39 C ATOM 0 HA PRO A 54 -4.363 -9.778 4.354 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -2.066 -11.196 5.008 1.00 0.35 H new ATOM 0 HB3 PRO A 54 -2.713 -9.981 6.091 1.00 0.35 H new ATOM 0 HG2 PRO A 54 -3.006 -12.970 6.206 1.00 0.56 H new ATOM 0 HG3 PRO A 54 -2.740 -11.836 7.516 1.00 0.56 H new ATOM 0 HD2 PRO A 54 -5.209 -12.876 6.967 1.00 0.39 H new ATOM 0 HD3 PRO A 54 -5.004 -11.288 7.678 1.00 0.39 H new ATOM 878 N ARG A 55 -3.692 -10.971 2.342 1.00 0.27 N ATOM 879 CA ARG A 55 -3.558 -11.645 1.061 1.00 0.30 C ATOM 880 C ARG A 55 -2.362 -11.089 0.297 1.00 0.24 C ATOM 881 O ARG A 55 -2.111 -9.884 0.314 1.00 0.20 O ATOM 882 CB ARG A 55 -4.839 -11.476 0.241 1.00 0.41 C ATOM 883 CG ARG A 55 -4.847 -12.260 -1.060 1.00 0.52 C ATOM 884 CD ARG A 55 -6.164 -12.088 -1.797 1.00 0.82 C ATOM 885 NE ARG A 55 -7.300 -12.526 -0.986 1.00 1.64 N ATOM 886 CZ ARG A 55 -8.358 -11.764 -0.714 1.00 2.46 C ATOM 887 NH1 ARG A 55 -8.428 -10.524 -1.185 1.00 2.66 N ATOM 888 NH2 ARG A 55 -9.347 -12.240 0.032 1.00 3.34 N ATOM 0 H ARG A 55 -3.508 -9.968 2.312 1.00 0.27 H new ATOM 0 HA ARG A 55 -3.394 -12.708 1.237 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -5.690 -11.788 0.847 1.00 0.41 H new ATOM 0 HB3 ARG A 55 -4.978 -10.418 0.017 1.00 0.41 H new ATOM 0 HG2 ARG A 55 -4.026 -11.926 -1.694 1.00 0.52 H new ATOM 0 HG3 ARG A 55 -4.679 -13.317 -0.852 1.00 0.52 H new ATOM 0 HD2 ARG A 55 -6.294 -11.041 -2.070 1.00 0.82 H new ATOM 0 HD3 ARG A 55 -6.138 -12.658 -2.725 1.00 0.82 H new ATOM 0 HE ARG A 55 -7.281 -13.472 -0.606 1.00 1.64 H new ATOM 0 HH11 ARG A 55 -7.670 -10.152 -1.757 1.00 2.66 H new ATOM 0 HH12 ARG A 55 -9.240 -9.944 -0.975 1.00 2.66 H new ATOM 0 HH21 ARG A 55 -9.298 -13.191 0.398 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -10.156 -11.655 0.239 1.00 3.34 H new ATOM 902 N VAL A 56 -1.619 -11.971 -0.354 1.00 0.27 N ATOM 903 CA VAL A 56 -0.446 -11.566 -1.114 1.00 0.25 C ATOM 904 C VAL A 56 -0.835 -11.130 -2.530 1.00 0.25 C ATOM 905 O VAL A 56 -1.690 -11.743 -3.172 1.00 0.31 O ATOM 906 CB VAL A 56 0.608 -12.705 -1.173 1.00 0.32 C ATOM 907 CG1 VAL A 56 0.032 -13.952 -1.829 1.00 1.22 C ATOM 908 CG2 VAL A 56 1.868 -12.253 -1.898 1.00 1.18 C ATOM 0 H VAL A 56 -1.808 -12.973 -0.371 1.00 0.27 H new ATOM 0 HA VAL A 56 0.000 -10.715 -0.599 1.00 0.25 H new ATOM 0 HB VAL A 56 0.879 -12.954 -0.147 1.00 0.32 H new ATOM 0 HG11 VAL A 56 0.792 -14.733 -1.857 1.00 1.22 H new ATOM 0 HG12 VAL A 56 -0.826 -14.301 -1.255 1.00 1.22 H new ATOM 0 HG13 VAL A 56 -0.283 -13.716 -2.846 1.00 1.22 H new ATOM 0 HG21 VAL A 56 2.587 -13.072 -1.923 1.00 1.18 H new ATOM 0 HG22 VAL A 56 1.616 -11.960 -2.917 1.00 1.18 H new ATOM 0 HG23 VAL A 56 2.304 -11.403 -1.374 1.00 1.18 H new ATOM 918 N TYR A 57 -0.214 -10.059 -3.000 1.00 0.20 N ATOM 919 CA TYR A 57 -0.465 -9.536 -4.333 1.00 0.20 C ATOM 920 C TYR A 57 0.853 -9.284 -5.044 1.00 0.19 C ATOM 921 O TYR A 57 1.864 -8.980 -4.403 1.00 0.21 O ATOM 922 CB TYR A 57 -1.264 -8.227 -4.267 1.00 0.20 C ATOM 923 CG TYR A 57 -2.682 -8.382 -3.762 1.00 0.27 C ATOM 924 CD1 TYR A 57 -3.719 -8.701 -4.632 1.00 0.36 C ATOM 925 CD2 TYR A 57 -2.987 -8.194 -2.420 1.00 0.36 C ATOM 926 CE1 TYR A 57 -5.018 -8.835 -4.178 1.00 0.45 C ATOM 927 CE2 TYR A 57 -4.283 -8.325 -1.958 1.00 0.45 C ATOM 928 CZ TYR A 57 -5.294 -8.644 -2.840 1.00 0.46 C ATOM 929 OH TYR A 57 -6.584 -8.774 -2.379 1.00 0.57 O ATOM 0 H TYR A 57 0.477 -9.529 -2.469 1.00 0.20 H new ATOM 0 HA TYR A 57 -1.048 -10.274 -4.884 1.00 0.20 H new ATOM 0 HB2 TYR A 57 -0.736 -7.526 -3.620 1.00 0.20 H new ATOM 0 HB3 TYR A 57 -1.293 -7.783 -5.262 1.00 0.20 H new ATOM 0 HD1 TYR A 57 -3.506 -8.847 -5.681 1.00 0.36 H new ATOM 0 HD2 TYR A 57 -2.199 -7.941 -1.726 1.00 0.36 H new ATOM 0 HE1 TYR A 57 -5.811 -9.087 -4.866 1.00 0.45 H new ATOM 0 HE2 TYR A 57 -4.503 -8.178 -0.911 1.00 0.45 H new ATOM 0 HH TYR A 57 -6.605 -8.608 -1.413 1.00 0.57 H new ATOM 939 N ARG A 58 0.849 -9.428 -6.358 1.00 0.23 N ATOM 940 CA ARG A 58 2.018 -9.099 -7.152 1.00 0.27 C ATOM 941 C ARG A 58 1.983 -7.628 -7.521 1.00 0.25 C ATOM 942 O ARG A 58 0.993 -7.141 -8.068 1.00 0.37 O ATOM 943 CB ARG A 58 2.091 -9.946 -8.423 1.00 0.40 C ATOM 944 CG ARG A 58 3.253 -9.562 -9.329 1.00 0.57 C ATOM 945 CD ARG A 58 3.247 -10.355 -10.623 1.00 1.11 C ATOM 946 NE ARG A 58 2.035 -10.118 -11.413 1.00 1.96 N ATOM 947 CZ ARG A 58 1.329 -11.082 -12.008 1.00 2.71 C ATOM 948 NH1 ARG A 58 1.712 -12.349 -11.910 1.00 2.90 N ATOM 949 NH2 ARG A 58 0.250 -10.777 -12.716 1.00 3.71 N ATOM 0 H ARG A 58 0.052 -9.769 -6.895 1.00 0.23 H new ATOM 0 HA ARG A 58 2.904 -9.313 -6.554 1.00 0.27 H new ATOM 0 HB2 ARG A 58 2.184 -10.997 -8.148 1.00 0.40 H new ATOM 0 HB3 ARG A 58 1.157 -9.843 -8.976 1.00 0.40 H new ATOM 0 HG2 ARG A 58 3.200 -8.497 -9.555 1.00 0.57 H new ATOM 0 HG3 ARG A 58 4.194 -9.730 -8.804 1.00 0.57 H new ATOM 0 HD2 ARG A 58 4.122 -10.088 -11.215 1.00 1.11 H new ATOM 0 HD3 ARG A 58 3.328 -11.418 -10.396 1.00 1.11 H new ATOM 0 HE ARG A 58 1.711 -9.156 -11.514 1.00 1.96 H new ATOM 0 HH11 ARG A 58 2.549 -12.589 -11.378 1.00 2.90 H new ATOM 0 HH12 ARG A 58 1.170 -13.083 -12.366 1.00 2.90 H new ATOM 0 HH21 ARG A 58 -0.042 -9.804 -12.807 1.00 3.71 H new ATOM 0 HH22 ARG A 58 -0.288 -11.515 -13.170 1.00 3.71 H new ATOM 963 N VAL A 59 3.051 -6.924 -7.207 1.00 0.19 N ATOM 964 CA VAL A 59 3.151 -5.521 -7.546 1.00 0.17 C ATOM 965 C VAL A 59 3.631 -5.354 -8.969 1.00 0.17 C ATOM 966 O VAL A 59 4.743 -5.772 -9.312 1.00 0.18 O ATOM 967 CB VAL A 59 4.110 -4.768 -6.607 1.00 0.18 C ATOM 968 CG1 VAL A 59 4.319 -3.336 -7.071 1.00 0.20 C ATOM 969 CG2 VAL A 59 3.581 -4.786 -5.194 1.00 0.20 C ATOM 0 H VAL A 59 3.862 -7.301 -6.717 1.00 0.19 H new ATOM 0 HA VAL A 59 2.153 -5.097 -7.435 1.00 0.17 H new ATOM 0 HB VAL A 59 5.074 -5.276 -6.631 1.00 0.18 H new ATOM 0 HG11 VAL A 59 5.001 -2.828 -6.389 1.00 0.20 H new ATOM 0 HG12 VAL A 59 4.744 -3.337 -8.075 1.00 0.20 H new ATOM 0 HG13 VAL A 59 3.362 -2.814 -7.083 1.00 0.20 H new ATOM 0 HG21 VAL A 59 4.269 -4.250 -4.541 1.00 0.20 H new ATOM 0 HG22 VAL A 59 2.604 -4.304 -5.165 1.00 0.20 H new ATOM 0 HG23 VAL A 59 3.487 -5.817 -4.854 1.00 0.20 H new ATOM 979 N ASN A 60 2.773 -4.760 -9.783 1.00 0.17 N ATOM 980 CA ASN A 60 3.134 -4.363 -11.129 1.00 0.18 C ATOM 981 C ASN A 60 3.739 -2.973 -11.089 1.00 0.18 C ATOM 982 O ASN A 60 4.614 -2.639 -11.890 1.00 0.21 O ATOM 983 CB ASN A 60 1.908 -4.381 -12.049 1.00 0.23 C ATOM 984 CG ASN A 60 1.461 -5.788 -12.404 1.00 1.14 C ATOM 985 OD1 ASN A 60 0.691 -6.413 -11.675 1.00 2.02 O ATOM 986 ND2 ASN A 60 1.930 -6.289 -13.537 1.00 1.61 N ATOM 0 H ASN A 60 1.810 -4.541 -9.528 1.00 0.17 H new ATOM 0 HA ASN A 60 3.862 -5.070 -11.527 1.00 0.18 H new ATOM 0 HB2 ASN A 60 1.086 -3.855 -11.563 1.00 0.23 H new ATOM 0 HB3 ASN A 60 2.138 -3.836 -12.964 1.00 0.23 H new ATOM 0 HD21 ASN A 60 1.655 -7.225 -13.833 1.00 1.61 H new ATOM 0 HD22 ASN A 60 2.567 -5.738 -14.113 1.00 1.61 H new ATOM 993 N GLY A 61 3.269 -2.161 -10.144 1.00 0.18 N ATOM 994 CA GLY A 61 3.845 -0.848 -9.961 1.00 0.23 C ATOM 995 C GLY A 61 3.121 -0.027 -8.918 1.00 0.21 C ATOM 996 O GLY A 61 2.631 -0.567 -7.925 1.00 0.21 O ATOM 0 H GLY A 61 2.505 -2.391 -9.508 1.00 0.18 H new ATOM 0 HA2 GLY A 61 4.891 -0.953 -9.672 1.00 0.23 H new ATOM 0 HA3 GLY A 61 3.829 -0.314 -10.911 1.00 0.23 H new ATOM 1000 N LEU A 62 3.045 1.276 -9.144 1.00 0.25 N ATOM 1001 CA LEU A 62 2.427 2.186 -8.194 1.00 0.28 C ATOM 1002 C LEU A 62 1.403 3.069 -8.876 1.00 0.32 C ATOM 1003 O LEU A 62 1.384 3.190 -10.100 1.00 0.33 O ATOM 1004 CB LEU A 62 3.476 3.057 -7.514 1.00 0.32 C ATOM 1005 CG LEU A 62 4.422 2.323 -6.573 1.00 0.34 C ATOM 1006 CD1 LEU A 62 5.373 3.308 -5.946 1.00 0.42 C ATOM 1007 CD2 LEU A 62 3.644 1.590 -5.499 1.00 0.35 C ATOM 0 H LEU A 62 3.407 1.728 -9.984 1.00 0.25 H new ATOM 0 HA LEU A 62 1.925 1.580 -7.440 1.00 0.28 H new ATOM 0 HB2 LEU A 62 4.068 3.552 -8.284 1.00 0.32 H new ATOM 0 HB3 LEU A 62 2.966 3.839 -6.952 1.00 0.32 H new ATOM 0 HG LEU A 62 4.989 1.588 -7.144 1.00 0.34 H new ATOM 0 HD11 LEU A 62 6.050 2.782 -5.273 1.00 0.42 H new ATOM 0 HD12 LEU A 62 5.950 3.804 -6.726 1.00 0.42 H new ATOM 0 HD13 LEU A 62 4.808 4.052 -5.384 1.00 0.42 H new ATOM 0 HD21 LEU A 62 4.338 1.072 -4.837 1.00 0.35 H new ATOM 0 HD22 LEU A 62 3.058 2.305 -4.922 1.00 0.35 H new ATOM 0 HD23 LEU A 62 2.976 0.865 -5.964 1.00 0.35 H new ATOM 1019 N SER A 63 0.546 3.667 -8.070 1.00 0.39 N ATOM 1020 CA SER A 63 -0.502 4.533 -8.561 1.00 0.48 C ATOM 1021 C SER A 63 0.084 5.813 -9.150 1.00 0.49 C ATOM 1022 O SER A 63 1.223 6.187 -8.860 1.00 0.60 O ATOM 1023 CB SER A 63 -1.452 4.856 -7.415 1.00 0.66 C ATOM 1024 OG SER A 63 -0.801 5.600 -6.398 1.00 1.57 O ATOM 0 H SER A 63 0.559 3.564 -7.055 1.00 0.39 H new ATOM 0 HA SER A 63 -1.048 4.025 -9.356 1.00 0.48 H new ATOM 0 HB2 SER A 63 -2.303 5.422 -7.794 1.00 0.66 H new ATOM 0 HB3 SER A 63 -1.846 3.931 -6.995 1.00 0.66 H new ATOM 0 HG SER A 63 -1.285 6.439 -6.246 1.00 1.57 H new ATOM 1030 N ARG A 64 -0.706 6.487 -9.970 1.00 0.66 N ATOM 1031 CA ARG A 64 -0.251 7.670 -10.673 1.00 0.78 C ATOM 1032 C ARG A 64 -0.453 8.914 -9.815 1.00 0.61 C ATOM 1033 O ARG A 64 -0.033 10.011 -10.184 1.00 0.71 O ATOM 1034 CB ARG A 64 -1.003 7.810 -11.991 1.00 1.08 C ATOM 1035 CG ARG A 64 -0.185 8.461 -13.087 1.00 1.53 C ATOM 1036 CD ARG A 64 1.044 7.628 -13.418 1.00 2.14 C ATOM 1037 NE ARG A 64 1.807 8.185 -14.531 1.00 2.62 N ATOM 1038 CZ ARG A 64 2.915 7.636 -15.019 1.00 3.27 C ATOM 1039 NH1 ARG A 64 3.396 6.514 -14.493 1.00 3.51 N ATOM 1040 NH2 ARG A 64 3.541 8.210 -16.036 1.00 4.02 N ATOM 0 H ARG A 64 -1.674 6.230 -10.165 1.00 0.66 H new ATOM 0 HA ARG A 64 0.814 7.566 -10.880 1.00 0.78 H new ATOM 0 HB2 ARG A 64 -1.322 6.823 -12.325 1.00 1.08 H new ATOM 0 HB3 ARG A 64 -1.906 8.398 -11.824 1.00 1.08 H new ATOM 0 HG2 ARG A 64 -0.798 8.582 -13.980 1.00 1.53 H new ATOM 0 HG3 ARG A 64 0.121 9.459 -12.773 1.00 1.53 H new ATOM 0 HD2 ARG A 64 1.684 7.563 -12.538 1.00 2.14 H new ATOM 0 HD3 ARG A 64 0.736 6.612 -13.664 1.00 2.14 H new ATOM 0 HE ARG A 64 1.470 9.047 -14.960 1.00 2.62 H new ATOM 0 HH11 ARG A 64 2.915 6.070 -13.711 1.00 3.51 H new ATOM 0 HH12 ARG A 64 4.247 6.097 -14.871 1.00 3.51 H new ATOM 0 HH21 ARG A 64 3.172 9.070 -16.442 1.00 4.02 H new ATOM 0 HH22 ARG A 64 4.391 7.792 -16.413 1.00 4.02 H new ATOM 1054 N ALA A 65 -1.110 8.737 -8.679 1.00 0.44 N ATOM 1055 CA ALA A 65 -1.356 9.829 -7.750 1.00 0.36 C ATOM 1056 C ALA A 65 -1.269 9.329 -6.312 1.00 0.33 C ATOM 1057 O ALA A 65 -1.542 8.157 -6.042 1.00 0.33 O ATOM 1058 CB ALA A 65 -2.717 10.456 -8.021 1.00 0.47 C ATOM 0 H ALA A 65 -1.486 7.838 -8.376 1.00 0.44 H new ATOM 0 HA ALA A 65 -0.592 10.592 -7.895 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.888 11.272 -7.319 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -2.743 10.843 -9.040 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -3.495 9.703 -7.899 1.00 0.47 H new ATOM 1064 N PRO A 66 -0.850 10.207 -5.383 1.00 0.36 N ATOM 1065 CA PRO A 66 -0.750 9.887 -3.946 1.00 0.37 C ATOM 1066 C PRO A 66 -2.083 9.458 -3.335 1.00 0.33 C ATOM 1067 O PRO A 66 -3.157 9.736 -3.874 1.00 0.34 O ATOM 1068 CB PRO A 66 -0.297 11.208 -3.318 1.00 0.45 C ATOM 1069 CG PRO A 66 0.353 11.956 -4.426 1.00 0.52 C ATOM 1070 CD PRO A 66 -0.410 11.586 -5.662 1.00 0.41 C ATOM 0 HA PRO A 66 -0.074 9.049 -3.774 1.00 0.37 H new ATOM 0 HB2 PRO A 66 -1.143 11.762 -2.910 1.00 0.45 H new ATOM 0 HB3 PRO A 66 0.398 11.037 -2.496 1.00 0.45 H new ATOM 0 HG2 PRO A 66 0.315 13.031 -4.249 1.00 0.52 H new ATOM 0 HG3 PRO A 66 1.405 11.685 -4.518 1.00 0.52 H new ATOM 0 HD2 PRO A 66 -1.256 12.253 -5.828 1.00 0.41 H new ATOM 0 HD3 PRO A 66 0.216 11.637 -6.553 1.00 0.41 H new ATOM 1078 N ALA A 67 -1.992 8.804 -2.177 1.00 0.35 N ATOM 1079 CA ALA A 67 -3.154 8.249 -1.479 1.00 0.35 C ATOM 1080 C ALA A 67 -4.173 9.318 -1.101 1.00 0.32 C ATOM 1081 O ALA A 67 -5.350 9.019 -0.896 1.00 0.34 O ATOM 1082 CB ALA A 67 -2.701 7.507 -0.233 1.00 0.40 C ATOM 0 H ALA A 67 -1.108 8.643 -1.694 1.00 0.35 H new ATOM 0 HA ALA A 67 -3.646 7.561 -2.167 1.00 0.35 H new ATOM 0 HB1 ALA A 67 -3.570 7.096 0.282 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -2.030 6.696 -0.516 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -2.178 8.196 0.430 1.00 0.40 H new ATOM 1088 N SER A 68 -3.712 10.553 -0.994 1.00 0.36 N ATOM 1089 CA SER A 68 -4.575 11.668 -0.638 1.00 0.39 C ATOM 1090 C SER A 68 -5.226 12.281 -1.880 1.00 0.39 C ATOM 1091 O SER A 68 -6.229 12.985 -1.782 1.00 0.47 O ATOM 1092 CB SER A 68 -3.760 12.714 0.125 1.00 0.46 C ATOM 1093 OG SER A 68 -2.472 12.869 -0.456 1.00 1.08 O ATOM 0 H SER A 68 -2.737 10.810 -1.150 1.00 0.36 H new ATOM 0 HA SER A 68 -5.379 11.304 0.002 1.00 0.39 H new ATOM 0 HB2 SER A 68 -4.286 13.669 0.116 1.00 0.46 H new ATOM 0 HB3 SER A 68 -3.660 12.414 1.168 1.00 0.46 H new ATOM 0 HG SER A 68 -1.874 12.171 -0.116 1.00 1.08 H new ATOM 1099 N SER A 69 -4.663 11.997 -3.047 1.00 0.37 N ATOM 1100 CA SER A 69 -5.173 12.555 -4.291 1.00 0.41 C ATOM 1101 C SER A 69 -6.126 11.580 -4.977 1.00 0.43 C ATOM 1102 O SER A 69 -7.084 11.991 -5.634 1.00 0.58 O ATOM 1103 CB SER A 69 -4.012 12.890 -5.227 1.00 0.48 C ATOM 1104 OG SER A 69 -3.061 13.718 -4.581 1.00 1.15 O ATOM 0 H SER A 69 -3.855 11.385 -3.158 1.00 0.37 H new ATOM 0 HA SER A 69 -5.724 13.466 -4.056 1.00 0.41 H new ATOM 0 HB2 SER A 69 -3.532 11.970 -5.560 1.00 0.48 H new ATOM 0 HB3 SER A 69 -4.391 13.392 -6.117 1.00 0.48 H new ATOM 0 HG SER A 69 -2.413 14.047 -5.239 1.00 1.15 H new ATOM 1110 N GLU A 70 -5.859 10.293 -4.823 1.00 0.40 N ATOM 1111 CA GLU A 70 -6.658 9.265 -5.470 1.00 0.47 C ATOM 1112 C GLU A 70 -7.989 9.067 -4.763 1.00 0.45 C ATOM 1113 O GLU A 70 -8.040 8.609 -3.621 1.00 0.40 O ATOM 1114 CB GLU A 70 -5.884 7.952 -5.533 1.00 0.53 C ATOM 1115 CG GLU A 70 -4.804 7.949 -6.598 1.00 0.69 C ATOM 1116 CD GLU A 70 -5.378 8.000 -8.002 1.00 0.71 C ATOM 1117 OE1 GLU A 70 -5.863 9.075 -8.407 1.00 0.79 O ATOM 1118 OE2 GLU A 70 -5.334 6.972 -8.713 1.00 1.09 O ATOM 0 H GLU A 70 -5.092 9.935 -4.254 1.00 0.40 H new ATOM 0 HA GLU A 70 -6.870 9.597 -6.486 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -5.429 7.758 -4.562 1.00 0.53 H new ATOM 0 HB3 GLU A 70 -6.580 7.136 -5.727 1.00 0.53 H new ATOM 0 HG2 GLU A 70 -4.145 8.804 -6.446 1.00 0.69 H new ATOM 0 HG3 GLU A 70 -4.193 7.053 -6.490 1.00 0.69 H new ATOM 1125 N THR A 71 -9.058 9.428 -5.456 1.00 0.57 N ATOM 1126 CA THR A 71 -10.402 9.276 -4.936 1.00 0.59 C ATOM 1127 C THR A 71 -11.126 8.149 -5.661 1.00 0.67 C ATOM 1128 O THR A 71 -11.068 8.058 -6.891 1.00 0.75 O ATOM 1129 CB THR A 71 -11.215 10.577 -5.105 1.00 0.67 C ATOM 1130 OG1 THR A 71 -11.194 10.992 -6.480 1.00 0.93 O ATOM 1131 CG2 THR A 71 -10.658 11.689 -4.234 1.00 0.67 C ATOM 0 H THR A 71 -9.016 9.833 -6.391 1.00 0.57 H new ATOM 0 HA THR A 71 -10.318 9.042 -3.875 1.00 0.59 H new ATOM 0 HB THR A 71 -12.241 10.376 -4.795 1.00 0.67 H new ATOM 0 HG1 THR A 71 -11.081 10.208 -7.057 1.00 0.93 H new ATOM 0 HG21 THR A 71 -11.251 12.593 -4.374 1.00 0.67 H new ATOM 0 HG22 THR A 71 -10.699 11.387 -3.188 1.00 0.67 H new ATOM 0 HG23 THR A 71 -9.623 11.887 -4.514 1.00 0.67 H new ATOM 1139 N PHE A 72 -11.805 7.297 -4.910 1.00 0.67 N ATOM 1140 CA PHE A 72 -12.574 6.218 -5.503 1.00 0.74 C ATOM 1141 C PHE A 72 -14.009 6.264 -5.000 1.00 0.76 C ATOM 1142 O PHE A 72 -14.281 6.786 -3.917 1.00 0.74 O ATOM 1143 CB PHE A 72 -11.934 4.854 -5.199 1.00 0.75 C ATOM 1144 CG PHE A 72 -11.970 4.447 -3.748 1.00 0.67 C ATOM 1145 CD1 PHE A 72 -11.068 4.976 -2.838 1.00 0.56 C ATOM 1146 CD2 PHE A 72 -12.902 3.525 -3.299 1.00 0.74 C ATOM 1147 CE1 PHE A 72 -11.095 4.594 -1.510 1.00 0.51 C ATOM 1148 CE2 PHE A 72 -12.931 3.138 -1.973 1.00 0.69 C ATOM 1149 CZ PHE A 72 -12.028 3.673 -1.078 1.00 0.57 C ATOM 0 H PHE A 72 -11.839 7.332 -3.891 1.00 0.67 H new ATOM 0 HA PHE A 72 -12.577 6.350 -6.585 1.00 0.74 H new ATOM 0 HB2 PHE A 72 -12.442 4.091 -5.788 1.00 0.75 H new ATOM 0 HB3 PHE A 72 -10.896 4.874 -5.530 1.00 0.75 H new ATOM 0 HD1 PHE A 72 -10.335 5.696 -3.171 1.00 0.56 H new ATOM 0 HD2 PHE A 72 -13.614 3.104 -3.994 1.00 0.74 H new ATOM 0 HE1 PHE A 72 -10.387 5.015 -0.811 1.00 0.51 H new ATOM 0 HE2 PHE A 72 -13.661 2.416 -1.637 1.00 0.69 H new ATOM 0 HZ PHE A 72 -12.051 3.372 -0.041 1.00 0.57 H new ATOM 1159 N GLU A 73 -14.921 5.734 -5.797 1.00 0.83 N ATOM 1160 CA GLU A 73 -16.329 5.753 -5.459 1.00 0.86 C ATOM 1161 C GLU A 73 -16.707 4.498 -4.689 1.00 0.87 C ATOM 1162 O GLU A 73 -16.779 3.406 -5.251 1.00 0.89 O ATOM 1163 CB GLU A 73 -17.168 5.870 -6.731 1.00 0.97 C ATOM 1164 CG GLU A 73 -18.655 6.008 -6.469 1.00 1.02 C ATOM 1165 CD GLU A 73 -19.457 6.155 -7.742 1.00 1.29 C ATOM 1166 OE1 GLU A 73 -19.379 7.225 -8.380 1.00 1.68 O ATOM 1167 OE2 GLU A 73 -20.155 5.192 -8.122 1.00 1.34 O ATOM 0 H GLU A 73 -14.707 5.284 -6.687 1.00 0.83 H new ATOM 0 HA GLU A 73 -16.527 6.617 -4.825 1.00 0.86 H new ATOM 0 HB2 GLU A 73 -16.827 6.733 -7.303 1.00 0.97 H new ATOM 0 HB3 GLU A 73 -16.997 4.990 -7.351 1.00 0.97 H new ATOM 0 HG2 GLU A 73 -19.007 5.134 -5.921 1.00 1.02 H new ATOM 0 HG3 GLU A 73 -18.829 6.875 -5.832 1.00 1.02 H new ATOM 1174 N HIS A 74 -16.941 4.662 -3.401 1.00 0.90 N ATOM 1175 CA HIS A 74 -17.336 3.561 -2.544 1.00 0.97 C ATOM 1176 C HIS A 74 -18.817 3.690 -2.212 1.00 1.09 C ATOM 1177 O HIS A 74 -19.203 4.482 -1.350 1.00 1.06 O ATOM 1178 CB HIS A 74 -16.489 3.559 -1.267 1.00 0.90 C ATOM 1179 CG HIS A 74 -16.627 2.317 -0.445 1.00 1.06 C ATOM 1180 ND1 HIS A 74 -15.862 1.206 -0.694 1.00 1.78 N ATOM 1181 CD2 HIS A 74 -17.437 2.067 0.610 1.00 1.09 C ATOM 1182 CE1 HIS A 74 -16.216 0.312 0.207 1.00 1.77 C ATOM 1183 NE2 HIS A 74 -17.167 0.786 1.021 1.00 1.20 N ATOM 0 H HIS A 74 -16.863 5.559 -2.921 1.00 0.90 H new ATOM 0 HA HIS A 74 -17.171 2.615 -3.061 1.00 0.97 H new ATOM 0 HB2 HIS A 74 -15.441 3.688 -1.539 1.00 0.90 H new ATOM 0 HB3 HIS A 74 -16.768 4.418 -0.657 1.00 0.90 H new ATOM 0 HD2 HIS A 74 -18.157 2.745 1.044 1.00 1.09 H new ATOM 0 HE1 HIS A 74 -15.792 -0.679 0.280 1.00 1.77 H new ATOM 0 HE2 HIS A 74 -17.606 0.291 1.797 1.00 1.20 H new ATOM 1191 N ASP A 75 -19.638 2.930 -2.932 1.00 1.29 N ATOM 1192 CA ASP A 75 -21.095 2.968 -2.776 1.00 1.48 C ATOM 1193 C ASP A 75 -21.650 4.361 -3.058 1.00 1.39 C ATOM 1194 O ASP A 75 -22.571 4.828 -2.387 1.00 1.46 O ATOM 1195 CB ASP A 75 -21.524 2.499 -1.379 1.00 1.61 C ATOM 1196 CG ASP A 75 -21.417 0.998 -1.206 1.00 2.16 C ATOM 1197 OD1 ASP A 75 -22.060 0.259 -1.989 1.00 2.30 O ATOM 1198 OD2 ASP A 75 -20.712 0.547 -0.283 1.00 2.80 O ATOM 0 H ASP A 75 -19.316 2.270 -3.640 1.00 1.29 H new ATOM 0 HA ASP A 75 -21.511 2.278 -3.510 1.00 1.48 H new ATOM 0 HB2 ASP A 75 -20.905 2.992 -0.629 1.00 1.61 H new ATOM 0 HB3 ASP A 75 -22.553 2.809 -1.197 1.00 1.61 H new ATOM 1203 N GLY A 76 -21.087 5.018 -4.063 1.00 1.28 N ATOM 1204 CA GLY A 76 -21.568 6.328 -4.459 1.00 1.24 C ATOM 1205 C GLY A 76 -20.851 7.465 -3.758 1.00 1.14 C ATOM 1206 O GLY A 76 -21.041 8.628 -4.104 1.00 1.18 O ATOM 0 H GLY A 76 -20.303 4.666 -4.613 1.00 1.28 H new ATOM 0 HA2 GLY A 76 -21.449 6.441 -5.536 1.00 1.24 H new ATOM 0 HA3 GLY A 76 -22.635 6.395 -4.248 1.00 1.24 H new ATOM 1210 N LYS A 77 -20.028 7.138 -2.774 1.00 1.07 N ATOM 1211 CA LYS A 77 -19.274 8.152 -2.054 1.00 1.00 C ATOM 1212 C LYS A 77 -17.830 8.193 -2.529 1.00 0.89 C ATOM 1213 O LYS A 77 -17.132 7.183 -2.497 1.00 0.88 O ATOM 1214 CB LYS A 77 -19.314 7.882 -0.550 1.00 1.04 C ATOM 1215 CG LYS A 77 -20.691 8.060 0.071 1.00 1.37 C ATOM 1216 CD LYS A 77 -21.145 9.513 0.025 1.00 1.58 C ATOM 1217 CE LYS A 77 -20.220 10.418 0.832 1.00 1.77 C ATOM 1218 NZ LYS A 77 -20.657 11.838 0.791 1.00 2.07 N ATOM 0 H LYS A 77 -19.866 6.182 -2.457 1.00 1.07 H new ATOM 0 HA LYS A 77 -19.736 9.118 -2.255 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -18.971 6.864 -0.364 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -18.612 8.551 -0.052 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -21.412 7.436 -0.457 1.00 1.37 H new ATOM 0 HG3 LYS A 77 -20.671 7.717 1.106 1.00 1.37 H new ATOM 0 HD2 LYS A 77 -21.174 9.853 -1.010 1.00 1.58 H new ATOM 0 HD3 LYS A 77 -22.160 9.590 0.414 1.00 1.58 H new ATOM 0 HE2 LYS A 77 -20.191 10.077 1.867 1.00 1.77 H new ATOM 0 HE3 LYS A 77 -19.205 10.339 0.442 1.00 1.77 H new ATOM 0 HZ1 LYS A 77 -20.002 12.419 1.352 1.00 2.07 H new ATOM 0 HZ2 LYS A 77 -20.660 12.172 -0.194 1.00 2.07 H new ATOM 0 HZ3 LYS A 77 -21.616 11.918 1.187 1.00 2.07 H new ATOM 1232 N LYS A 78 -17.387 9.360 -2.968 1.00 0.90 N ATOM 1233 CA LYS A 78 -16.012 9.538 -3.403 1.00 0.83 C ATOM 1234 C LYS A 78 -15.111 9.856 -2.221 1.00 0.73 C ATOM 1235 O LYS A 78 -15.152 10.957 -1.672 1.00 0.81 O ATOM 1236 CB LYS A 78 -15.910 10.653 -4.441 1.00 0.92 C ATOM 1237 CG LYS A 78 -16.365 10.247 -5.832 1.00 1.01 C ATOM 1238 CD LYS A 78 -16.235 11.405 -6.810 1.00 1.23 C ATOM 1239 CE LYS A 78 -14.806 11.928 -6.862 1.00 1.77 C ATOM 1240 NZ LYS A 78 -14.670 13.105 -7.757 1.00 2.36 N ATOM 0 H LYS A 78 -17.962 10.200 -3.032 1.00 0.90 H new ATOM 0 HA LYS A 78 -15.684 8.603 -3.857 1.00 0.83 H new ATOM 0 HB2 LYS A 78 -16.508 11.501 -4.108 1.00 0.92 H new ATOM 0 HB3 LYS A 78 -14.876 10.993 -4.493 1.00 0.92 H new ATOM 0 HG2 LYS A 78 -15.770 9.403 -6.181 1.00 1.01 H new ATOM 0 HG3 LYS A 78 -17.402 9.912 -5.796 1.00 1.01 H new ATOM 0 HD2 LYS A 78 -16.542 11.080 -7.804 1.00 1.23 H new ATOM 0 HD3 LYS A 78 -16.909 12.210 -6.515 1.00 1.23 H new ATOM 0 HE2 LYS A 78 -14.484 12.199 -5.857 1.00 1.77 H new ATOM 0 HE3 LYS A 78 -14.143 11.134 -7.206 1.00 1.77 H new ATOM 0 HZ1 LYS A 78 -13.681 13.426 -7.761 1.00 2.36 H new ATOM 0 HZ2 LYS A 78 -14.952 12.841 -8.723 1.00 2.36 H new ATOM 0 HZ3 LYS A 78 -15.282 13.873 -7.415 1.00 2.36 H new ATOM 1254 N VAL A 79 -14.311 8.885 -1.832 1.00 0.63 N ATOM 1255 CA VAL A 79 -13.366 9.057 -0.741 1.00 0.54 C ATOM 1256 C VAL A 79 -11.959 8.753 -1.230 1.00 0.48 C ATOM 1257 O VAL A 79 -11.783 8.049 -2.226 1.00 0.51 O ATOM 1258 CB VAL A 79 -13.706 8.142 0.458 1.00 0.53 C ATOM 1259 CG1 VAL A 79 -15.017 8.566 1.102 1.00 0.63 C ATOM 1260 CG2 VAL A 79 -13.771 6.684 0.026 1.00 0.56 C ATOM 0 H VAL A 79 -14.295 7.958 -2.258 1.00 0.63 H new ATOM 0 HA VAL A 79 -13.429 10.092 -0.404 1.00 0.54 H new ATOM 0 HB VAL A 79 -12.911 8.243 1.197 1.00 0.53 H new ATOM 0 HG11 VAL A 79 -15.238 7.909 1.944 1.00 0.63 H new ATOM 0 HG12 VAL A 79 -14.933 9.594 1.456 1.00 0.63 H new ATOM 0 HG13 VAL A 79 -15.821 8.499 0.369 1.00 0.63 H new ATOM 0 HG21 VAL A 79 -14.012 6.060 0.887 1.00 0.56 H new ATOM 0 HG22 VAL A 79 -14.541 6.564 -0.736 1.00 0.56 H new ATOM 0 HG23 VAL A 79 -12.807 6.382 -0.383 1.00 0.56 H new ATOM 1270 N THR A 80 -10.962 9.297 -0.553 1.00 0.42 N ATOM 1271 CA THR A 80 -9.584 9.049 -0.929 1.00 0.37 C ATOM 1272 C THR A 80 -9.091 7.767 -0.283 1.00 0.33 C ATOM 1273 O THR A 80 -9.669 7.311 0.708 1.00 0.32 O ATOM 1274 CB THR A 80 -8.657 10.207 -0.513 1.00 0.34 C ATOM 1275 OG1 THR A 80 -8.657 10.343 0.911 1.00 0.35 O ATOM 1276 CG2 THR A 80 -9.100 11.516 -1.145 1.00 0.46 C ATOM 0 H THR A 80 -11.081 9.909 0.254 1.00 0.42 H new ATOM 0 HA THR A 80 -9.557 8.960 -2.015 1.00 0.37 H new ATOM 0 HB THR A 80 -7.650 9.976 -0.862 1.00 0.34 H new ATOM 0 HG1 THR A 80 -8.017 11.037 1.173 1.00 0.35 H new ATOM 0 HG21 THR A 80 -8.428 12.316 -0.834 1.00 0.46 H new ATOM 0 HG22 THR A 80 -9.075 11.423 -2.231 1.00 0.46 H new ATOM 0 HG23 THR A 80 -10.115 11.750 -0.824 1.00 0.46 H new ATOM 1284 N ILE A 81 -8.036 7.187 -0.832 1.00 0.32 N ATOM 1285 CA ILE A 81 -7.453 5.984 -0.258 1.00 0.31 C ATOM 1286 C ILE A 81 -7.015 6.262 1.180 1.00 0.27 C ATOM 1287 O ILE A 81 -7.267 5.470 2.092 1.00 0.29 O ATOM 1288 CB ILE A 81 -6.238 5.497 -1.081 1.00 0.34 C ATOM 1289 CG1 ILE A 81 -6.575 5.480 -2.580 1.00 0.38 C ATOM 1290 CG2 ILE A 81 -5.804 4.110 -0.618 1.00 0.34 C ATOM 1291 CD1 ILE A 81 -7.642 4.475 -2.963 1.00 0.40 C ATOM 0 H ILE A 81 -7.567 7.528 -1.671 1.00 0.32 H new ATOM 0 HA ILE A 81 -8.211 5.201 -0.274 1.00 0.31 H new ATOM 0 HB ILE A 81 -5.413 6.191 -0.921 1.00 0.34 H new ATOM 0 HG12 ILE A 81 -6.905 6.475 -2.879 1.00 0.38 H new ATOM 0 HG13 ILE A 81 -5.667 5.262 -3.143 1.00 0.38 H new ATOM 0 HG21 ILE A 81 -4.948 3.781 -1.207 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -5.527 4.148 0.435 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -6.627 3.408 -0.751 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -7.821 4.526 -4.037 1.00 0.40 H new ATOM 0 HD12 ILE A 81 -7.309 3.472 -2.698 1.00 0.40 H new ATOM 0 HD13 ILE A 81 -8.565 4.703 -2.430 1.00 0.40 H new ATOM 1303 N ALA A 82 -6.394 7.424 1.369 1.00 0.26 N ATOM 1304 CA ALA A 82 -5.893 7.835 2.674 1.00 0.25 C ATOM 1305 C ALA A 82 -7.019 7.991 3.692 1.00 0.24 C ATOM 1306 O ALA A 82 -6.946 7.448 4.794 1.00 0.26 O ATOM 1307 CB ALA A 82 -5.115 9.137 2.552 1.00 0.26 C ATOM 0 H ALA A 82 -6.226 8.102 0.626 1.00 0.26 H new ATOM 0 HA ALA A 82 -5.229 7.049 3.033 1.00 0.25 H new ATOM 0 HB1 ALA A 82 -4.746 9.434 3.534 1.00 0.26 H new ATOM 0 HB2 ALA A 82 -4.272 8.995 1.875 1.00 0.26 H new ATOM 0 HB3 ALA A 82 -5.769 9.916 2.160 1.00 0.26 H new ATOM 1313 N SER A 83 -8.064 8.723 3.320 1.00 0.26 N ATOM 1314 CA SER A 83 -9.169 8.984 4.233 1.00 0.28 C ATOM 1315 C SER A 83 -9.970 7.720 4.528 1.00 0.26 C ATOM 1316 O SER A 83 -10.576 7.599 5.596 1.00 0.27 O ATOM 1317 CB SER A 83 -10.075 10.081 3.677 1.00 0.34 C ATOM 1318 OG SER A 83 -9.422 11.341 3.727 1.00 1.16 O ATOM 0 H SER A 83 -8.168 9.144 2.397 1.00 0.26 H new ATOM 0 HA SER A 83 -8.743 9.327 5.176 1.00 0.28 H new ATOM 0 HB2 SER A 83 -10.349 9.848 2.648 1.00 0.34 H new ATOM 0 HB3 SER A 83 -11.000 10.122 4.251 1.00 0.34 H new ATOM 0 HG SER A 83 -8.947 11.497 2.884 1.00 1.16 H new ATOM 1324 N TYR A 84 -9.973 6.774 3.598 1.00 0.27 N ATOM 1325 CA TYR A 84 -10.668 5.520 3.828 1.00 0.29 C ATOM 1326 C TYR A 84 -10.011 4.775 4.985 1.00 0.27 C ATOM 1327 O TYR A 84 -10.681 4.357 5.924 1.00 0.29 O ATOM 1328 CB TYR A 84 -10.677 4.650 2.569 1.00 0.34 C ATOM 1329 CG TYR A 84 -11.573 3.437 2.690 1.00 0.46 C ATOM 1330 CD1 TYR A 84 -12.950 3.554 2.541 1.00 0.60 C ATOM 1331 CD2 TYR A 84 -11.047 2.180 2.965 1.00 0.56 C ATOM 1332 CE1 TYR A 84 -13.776 2.454 2.661 1.00 0.74 C ATOM 1333 CE2 TYR A 84 -11.870 1.075 3.089 1.00 0.71 C ATOM 1334 CZ TYR A 84 -13.233 1.217 2.935 1.00 0.78 C ATOM 1335 OH TYR A 84 -14.058 0.121 3.062 1.00 0.95 O ATOM 0 H TYR A 84 -9.510 6.850 2.693 1.00 0.27 H new ATOM 0 HA TYR A 84 -11.704 5.742 4.083 1.00 0.29 H new ATOM 0 HB2 TYR A 84 -11.004 5.252 1.721 1.00 0.34 H new ATOM 0 HB3 TYR A 84 -9.660 4.323 2.354 1.00 0.34 H new ATOM 0 HD1 TYR A 84 -13.381 4.521 2.328 1.00 0.60 H new ATOM 0 HD2 TYR A 84 -9.980 2.064 3.084 1.00 0.56 H new ATOM 0 HE1 TYR A 84 -14.844 2.562 2.541 1.00 0.74 H new ATOM 0 HE2 TYR A 84 -11.447 0.105 3.305 1.00 0.71 H new ATOM 0 HH TYR A 84 -13.518 -0.674 3.254 1.00 0.95 H new ATOM 1345 N PHE A 85 -8.691 4.650 4.935 1.00 0.27 N ATOM 1346 CA PHE A 85 -7.948 3.997 6.010 1.00 0.27 C ATOM 1347 C PHE A 85 -7.985 4.824 7.287 1.00 0.28 C ATOM 1348 O PHE A 85 -8.097 4.277 8.386 1.00 0.31 O ATOM 1349 CB PHE A 85 -6.506 3.724 5.586 1.00 0.29 C ATOM 1350 CG PHE A 85 -6.382 2.518 4.699 1.00 0.27 C ATOM 1351 CD1 PHE A 85 -6.755 2.582 3.366 1.00 0.27 C ATOM 1352 CD2 PHE A 85 -5.874 1.329 5.193 1.00 0.36 C ATOM 1353 CE1 PHE A 85 -6.623 1.481 2.543 1.00 0.29 C ATOM 1354 CE2 PHE A 85 -5.743 0.225 4.375 1.00 0.37 C ATOM 1355 CZ PHE A 85 -6.189 0.276 3.072 1.00 0.29 C ATOM 0 H PHE A 85 -8.113 4.990 4.166 1.00 0.27 H new ATOM 0 HA PHE A 85 -8.432 3.042 6.215 1.00 0.27 H new ATOM 0 HB2 PHE A 85 -6.114 4.596 5.063 1.00 0.29 H new ATOM 0 HB3 PHE A 85 -5.891 3.581 6.475 1.00 0.29 H new ATOM 0 HD1 PHE A 85 -7.153 3.503 2.966 1.00 0.27 H new ATOM 0 HD2 PHE A 85 -5.577 1.264 6.229 1.00 0.36 H new ATOM 0 HE1 PHE A 85 -6.857 1.559 1.492 1.00 0.29 H new ATOM 0 HE2 PHE A 85 -5.291 -0.679 4.756 1.00 0.37 H new ATOM 0 HZ PHE A 85 -6.200 -0.618 2.467 1.00 0.29 H new ATOM 1365 N HIS A 86 -7.909 6.141 7.137 1.00 0.27 N ATOM 1366 CA HIS A 86 -7.972 7.052 8.274 1.00 0.29 C ATOM 1367 C HIS A 86 -9.258 6.834 9.070 1.00 0.31 C ATOM 1368 O HIS A 86 -9.222 6.698 10.293 1.00 0.36 O ATOM 1369 CB HIS A 86 -7.882 8.506 7.800 1.00 0.30 C ATOM 1370 CG HIS A 86 -7.966 9.512 8.908 1.00 0.46 C ATOM 1371 ND1 HIS A 86 -9.048 10.348 9.035 1.00 0.56 N ATOM 1372 CD2 HIS A 86 -7.087 9.773 9.905 1.00 0.74 C ATOM 1373 CE1 HIS A 86 -8.805 11.095 10.098 1.00 0.75 C ATOM 1374 NE2 HIS A 86 -7.629 10.783 10.659 1.00 0.85 N ATOM 0 H HIS A 86 -7.803 6.604 6.234 1.00 0.27 H new ATOM 0 HA HIS A 86 -7.124 6.844 8.926 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -6.942 8.646 7.266 1.00 0.30 H new ATOM 0 HB3 HIS A 86 -8.685 8.696 7.088 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -6.141 9.280 10.074 1.00 0.74 H new ATOM 0 HE1 HIS A 86 -9.471 11.861 10.468 1.00 0.75 H new ATOM 0 HE2 HIS A 86 -7.216 11.213 11.487 1.00 0.85 H new ATOM 1382 N SER A 87 -10.385 6.776 8.368 1.00 0.29 N ATOM 1383 CA SER A 87 -11.676 6.580 9.014 1.00 0.35 C ATOM 1384 C SER A 87 -11.791 5.174 9.601 1.00 0.41 C ATOM 1385 O SER A 87 -12.527 4.954 10.563 1.00 0.48 O ATOM 1386 CB SER A 87 -12.820 6.856 8.032 1.00 0.36 C ATOM 1387 OG SER A 87 -12.649 6.131 6.829 1.00 1.31 O ATOM 0 H SER A 87 -10.430 6.862 7.353 1.00 0.29 H new ATOM 0 HA SER A 87 -11.752 7.291 9.836 1.00 0.35 H new ATOM 0 HB2 SER A 87 -13.770 6.584 8.491 1.00 0.36 H new ATOM 0 HB3 SER A 87 -12.865 7.923 7.813 1.00 0.36 H new ATOM 0 HG SER A 87 -12.010 6.600 6.252 1.00 1.31 H new ATOM 1393 N ARG A 88 -11.040 4.221 9.043 1.00 0.40 N ATOM 1394 CA ARG A 88 -11.028 2.857 9.576 1.00 0.46 C ATOM 1395 C ARG A 88 -10.092 2.759 10.779 1.00 0.48 C ATOM 1396 O ARG A 88 -9.681 1.665 11.165 1.00 0.57 O ATOM 1397 CB ARG A 88 -10.590 1.828 8.525 1.00 0.49 C ATOM 1398 CG ARG A 88 -11.380 1.843 7.223 1.00 1.05 C ATOM 1399 CD ARG A 88 -12.880 1.895 7.447 1.00 1.21 C ATOM 1400 NE ARG A 88 -13.423 3.206 7.097 1.00 1.92 N ATOM 1401 CZ ARG A 88 -14.518 3.394 6.362 1.00 2.62 C ATOM 1402 NH1 ARG A 88 -15.209 2.356 5.899 1.00 2.84 N ATOM 1403 NH2 ARG A 88 -14.911 4.628 6.080 1.00 3.55 N ATOM 0 H ARG A 88 -10.439 4.366 8.232 1.00 0.40 H new ATOM 0 HA ARG A 88 -12.051 2.631 9.876 1.00 0.46 H new ATOM 0 HB2 ARG A 88 -9.538 1.996 8.293 1.00 0.49 H new ATOM 0 HB3 ARG A 88 -10.664 0.833 8.963 1.00 0.49 H new ATOM 0 HG2 ARG A 88 -11.076 2.704 6.628 1.00 1.05 H new ATOM 0 HG3 ARG A 88 -11.134 0.953 6.644 1.00 1.05 H new ATOM 0 HD2 ARG A 88 -13.366 1.125 6.848 1.00 1.21 H new ATOM 0 HD3 ARG A 88 -13.102 1.674 8.491 1.00 1.21 H new ATOM 0 HE ARG A 88 -12.931 4.032 7.438 1.00 1.92 H new ATOM 0 HH11 ARG A 88 -14.902 1.406 6.106 1.00 2.84 H new ATOM 0 HH12 ARG A 88 -16.046 2.510 5.337 1.00 2.84 H new ATOM 0 HH21 ARG A 88 -14.376 5.425 6.425 1.00 3.55 H new ATOM 0 HH22 ARG A 88 -15.748 4.781 5.518 1.00 3.55 H new ATOM 1417 N ASN A 89 -9.743 3.913 11.344 1.00 0.45 N ATOM 1418 CA ASN A 89 -8.922 3.993 12.556 1.00 0.47 C ATOM 1419 C ASN A 89 -7.470 3.614 12.280 1.00 0.48 C ATOM 1420 O ASN A 89 -6.797 3.029 13.132 1.00 0.67 O ATOM 1421 CB ASN A 89 -9.490 3.122 13.691 1.00 0.55 C ATOM 1422 CG ASN A 89 -10.754 3.690 14.321 1.00 0.99 C ATOM 1423 OD1 ASN A 89 -11.592 4.337 13.525 1.00 1.45 O flip ATOM 1424 ND2 ASN A 89 -10.981 3.531 15.520 1.00 1.98 N flip ATOM 0 H ASN A 89 -10.021 4.823 10.975 1.00 0.45 H new ATOM 0 HA ASN A 89 -8.949 5.033 12.880 1.00 0.47 H new ATOM 0 HB2 ASN A 89 -9.704 2.127 13.302 1.00 0.55 H new ATOM 0 HB3 ASN A 89 -8.730 3.005 14.463 1.00 0.55 H new ATOM 0 HD21 ASN A 89 -10.313 3.027 16.103 1.00 1.98 H new ATOM 0 HD22 ASN A 89 -11.837 3.903 15.931 1.00 1.98 H new ATOM 1431 N TYR A 90 -6.991 3.933 11.089 1.00 0.39 N ATOM 1432 CA TYR A 90 -5.576 3.800 10.784 1.00 0.38 C ATOM 1433 C TYR A 90 -5.068 5.099 10.171 1.00 0.32 C ATOM 1434 O TYR A 90 -5.129 5.290 8.957 1.00 0.36 O ATOM 1435 CB TYR A 90 -5.308 2.622 9.836 1.00 0.41 C ATOM 1436 CG TYR A 90 -3.833 2.289 9.702 1.00 0.40 C ATOM 1437 CD1 TYR A 90 -3.050 2.893 8.724 1.00 0.44 C ATOM 1438 CD2 TYR A 90 -3.229 1.358 10.540 1.00 0.45 C ATOM 1439 CE1 TYR A 90 -1.707 2.579 8.588 1.00 0.46 C ATOM 1440 CE2 TYR A 90 -1.890 1.038 10.406 1.00 0.49 C ATOM 1441 CZ TYR A 90 -1.117 1.704 9.483 1.00 0.45 C ATOM 1442 OH TYR A 90 0.199 1.321 9.295 1.00 0.52 O ATOM 0 H TYR A 90 -7.560 4.285 10.319 1.00 0.39 H new ATOM 0 HA TYR A 90 -5.042 3.597 11.712 1.00 0.38 H new ATOM 0 HB2 TYR A 90 -5.841 1.743 10.198 1.00 0.41 H new ATOM 0 HB3 TYR A 90 -5.712 2.857 8.851 1.00 0.41 H new ATOM 0 HD1 TYR A 90 -3.496 3.619 8.060 1.00 0.44 H new ATOM 0 HD2 TYR A 90 -3.815 0.877 11.309 1.00 0.45 H new ATOM 0 HE1 TYR A 90 -1.125 3.014 7.789 1.00 0.46 H new ATOM 0 HE2 TYR A 90 -1.453 0.268 11.024 1.00 0.49 H new ATOM 0 HH TYR A 90 0.465 0.705 10.009 1.00 0.52 H new ATOM 1452 N PRO A 91 -4.585 6.020 11.010 1.00 0.32 N ATOM 1453 CA PRO A 91 -4.070 7.306 10.547 1.00 0.33 C ATOM 1454 C PRO A 91 -2.737 7.164 9.814 1.00 0.33 C ATOM 1455 O PRO A 91 -1.713 6.812 10.410 1.00 0.37 O ATOM 1456 CB PRO A 91 -3.898 8.109 11.835 1.00 0.40 C ATOM 1457 CG PRO A 91 -3.720 7.090 12.909 1.00 0.44 C ATOM 1458 CD PRO A 91 -4.500 5.880 12.477 1.00 0.41 C ATOM 0 HA PRO A 91 -4.739 7.779 9.828 1.00 0.33 H new ATOM 0 HB2 PRO A 91 -3.035 8.772 11.774 1.00 0.40 H new ATOM 0 HB3 PRO A 91 -4.768 8.736 12.027 1.00 0.40 H new ATOM 0 HG2 PRO A 91 -2.666 6.846 13.042 1.00 0.44 H new ATOM 0 HG3 PRO A 91 -4.084 7.466 13.865 1.00 0.44 H new ATOM 0 HD2 PRO A 91 -3.996 4.957 12.762 1.00 0.41 H new ATOM 0 HD3 PRO A 91 -5.489 5.858 12.935 1.00 0.41 H new ATOM 1466 N LEU A 92 -2.760 7.432 8.515 1.00 0.33 N ATOM 1467 CA LEU A 92 -1.560 7.361 7.694 1.00 0.35 C ATOM 1468 C LEU A 92 -0.574 8.457 8.070 1.00 0.38 C ATOM 1469 O LEU A 92 -0.901 9.642 8.040 1.00 0.40 O ATOM 1470 CB LEU A 92 -1.915 7.459 6.209 1.00 0.36 C ATOM 1471 CG LEU A 92 -2.572 6.210 5.616 1.00 0.36 C ATOM 1472 CD1 LEU A 92 -2.946 6.442 4.162 1.00 0.37 C ATOM 1473 CD2 LEU A 92 -1.641 5.015 5.738 1.00 0.45 C ATOM 0 H LEU A 92 -3.602 7.702 8.006 1.00 0.33 H new ATOM 0 HA LEU A 92 -1.087 6.396 7.879 1.00 0.35 H new ATOM 0 HB2 LEU A 92 -2.586 8.306 6.067 1.00 0.36 H new ATOM 0 HB3 LEU A 92 -1.006 7.674 5.647 1.00 0.36 H new ATOM 0 HG LEU A 92 -3.483 6.001 6.177 1.00 0.36 H new ATOM 0 HD11 LEU A 92 -3.412 5.543 3.758 1.00 0.37 H new ATOM 0 HD12 LEU A 92 -3.646 7.275 4.095 1.00 0.37 H new ATOM 0 HD13 LEU A 92 -2.049 6.675 3.588 1.00 0.37 H new ATOM 0 HD21 LEU A 92 -2.122 4.134 5.312 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -0.715 5.219 5.200 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -1.418 4.834 6.789 1.00 0.45 H new ATOM 1485 N LYS A 93 0.634 8.040 8.423 1.00 0.41 N ATOM 1486 CA LYS A 93 1.694 8.962 8.815 1.00 0.46 C ATOM 1487 C LYS A 93 2.241 9.702 7.600 1.00 0.44 C ATOM 1488 O LYS A 93 2.787 10.798 7.717 1.00 0.47 O ATOM 1489 CB LYS A 93 2.815 8.185 9.507 1.00 0.54 C ATOM 1490 CG LYS A 93 2.372 7.505 10.794 1.00 0.73 C ATOM 1491 CD LYS A 93 3.161 6.232 11.059 1.00 0.75 C ATOM 1492 CE LYS A 93 2.923 5.205 9.964 1.00 1.45 C ATOM 1493 NZ LYS A 93 3.566 3.899 10.260 1.00 1.99 N ATOM 0 H LYS A 93 0.907 7.058 8.446 1.00 0.41 H new ATOM 0 HA LYS A 93 1.283 9.699 9.505 1.00 0.46 H new ATOM 0 HB2 LYS A 93 3.202 7.432 8.821 1.00 0.54 H new ATOM 0 HB3 LYS A 93 3.636 8.866 9.729 1.00 0.54 H new ATOM 0 HG2 LYS A 93 2.498 8.192 11.631 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.310 7.269 10.733 1.00 0.73 H new ATOM 0 HD2 LYS A 93 4.224 6.465 11.119 1.00 0.75 H new ATOM 0 HD3 LYS A 93 2.871 5.814 12.023 1.00 0.75 H new ATOM 0 HE2 LYS A 93 1.851 5.058 9.835 1.00 1.45 H new ATOM 0 HE3 LYS A 93 3.307 5.590 9.019 1.00 1.45 H new ATOM 0 HZ1 LYS A 93 3.828 3.431 9.369 1.00 1.99 H new ATOM 0 HZ2 LYS A 93 4.420 4.054 10.833 1.00 1.99 H new ATOM 0 HZ3 LYS A 93 2.901 3.296 10.785 1.00 1.99 H new ATOM 1507 N PHE A 94 2.077 9.092 6.433 1.00 0.42 N ATOM 1508 CA PHE A 94 2.539 9.678 5.179 1.00 0.43 C ATOM 1509 C PHE A 94 1.520 9.438 4.063 1.00 0.42 C ATOM 1510 O PHE A 94 1.772 8.678 3.129 1.00 0.45 O ATOM 1511 CB PHE A 94 3.907 9.106 4.776 1.00 0.49 C ATOM 1512 CG PHE A 94 4.324 7.887 5.553 1.00 0.44 C ATOM 1513 CD1 PHE A 94 3.627 6.698 5.411 1.00 0.53 C ATOM 1514 CD2 PHE A 94 5.407 7.926 6.422 1.00 0.46 C ATOM 1515 CE1 PHE A 94 3.997 5.573 6.117 1.00 0.62 C ATOM 1516 CE2 PHE A 94 5.781 6.802 7.129 1.00 0.49 C ATOM 1517 CZ PHE A 94 5.115 5.650 6.996 1.00 0.56 C ATOM 0 H PHE A 94 1.624 8.184 6.328 1.00 0.42 H new ATOM 0 HA PHE A 94 2.645 10.752 5.332 1.00 0.43 H new ATOM 0 HB2 PHE A 94 3.884 8.856 3.715 1.00 0.49 H new ATOM 0 HB3 PHE A 94 4.663 9.880 4.905 1.00 0.49 H new ATOM 0 HD1 PHE A 94 2.783 6.652 4.739 1.00 0.53 H new ATOM 0 HD2 PHE A 94 5.961 8.845 6.545 1.00 0.46 H new ATOM 0 HE1 PHE A 94 3.449 4.649 6.005 1.00 0.62 H new ATOM 0 HE2 PHE A 94 6.625 6.853 7.801 1.00 0.49 H new ATOM 0 HZ PHE A 94 5.425 4.779 7.555 1.00 0.56 H new ATOM 1527 N PRO A 95 0.342 10.077 4.155 1.00 0.47 N ATOM 1528 CA PRO A 95 -0.733 9.925 3.163 1.00 0.53 C ATOM 1529 C PRO A 95 -0.418 10.589 1.819 1.00 0.52 C ATOM 1530 O PRO A 95 -1.171 10.446 0.854 1.00 0.58 O ATOM 1531 CB PRO A 95 -1.925 10.601 3.837 1.00 0.63 C ATOM 1532 CG PRO A 95 -1.319 11.622 4.731 1.00 0.63 C ATOM 1533 CD PRO A 95 -0.038 11.016 5.228 1.00 0.54 C ATOM 0 HA PRO A 95 -0.900 8.878 2.908 1.00 0.53 H new ATOM 0 HB2 PRO A 95 -2.588 11.060 3.103 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -2.521 9.884 4.401 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -1.130 12.551 4.193 1.00 0.63 H new ATOM 0 HG3 PRO A 95 -1.986 11.863 5.559 1.00 0.63 H new ATOM 0 HD2 PRO A 95 0.729 11.774 5.387 1.00 0.54 H new ATOM 0 HD3 PRO A 95 -0.180 10.502 6.179 1.00 0.54 H new ATOM 1541 N GLN A 96 0.681 11.334 1.761 1.00 0.48 N ATOM 1542 CA GLN A 96 1.080 11.999 0.526 1.00 0.50 C ATOM 1543 C GLN A 96 1.876 11.043 -0.368 1.00 0.54 C ATOM 1544 O GLN A 96 2.233 11.375 -1.495 1.00 0.62 O ATOM 1545 CB GLN A 96 1.898 13.260 0.838 1.00 0.53 C ATOM 1546 CG GLN A 96 2.218 14.110 -0.386 1.00 1.09 C ATOM 1547 CD GLN A 96 0.979 14.639 -1.088 1.00 1.86 C ATOM 1548 OE1 GLN A 96 -0.066 14.929 -0.328 1.00 2.61 O flip ATOM 1549 NE2 GLN A 96 0.969 14.809 -2.305 1.00 2.52 N flip ATOM 0 H GLN A 96 1.308 11.492 2.550 1.00 0.48 H new ATOM 0 HA GLN A 96 0.181 12.298 -0.013 1.00 0.50 H new ATOM 0 HB2 GLN A 96 1.349 13.868 1.557 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.832 12.966 1.317 1.00 0.53 H new ATOM 0 HG2 GLN A 96 2.843 14.950 -0.083 1.00 1.09 H new ATOM 0 HG3 GLN A 96 2.801 13.516 -1.090 1.00 1.09 H new ATOM 0 HE21 GLN A 96 1.792 14.574 -2.859 1.00 2.52 H new ATOM 0 HE22 GLN A 96 0.137 15.185 -2.761 1.00 2.52 H new ATOM 1558 N LEU A 97 2.139 9.848 0.137 1.00 0.54 N ATOM 1559 CA LEU A 97 2.845 8.840 -0.635 1.00 0.67 C ATOM 1560 C LEU A 97 1.907 8.180 -1.639 1.00 0.73 C ATOM 1561 O LEU A 97 0.692 8.114 -1.425 1.00 1.41 O ATOM 1562 CB LEU A 97 3.451 7.784 0.291 1.00 0.84 C ATOM 1563 CG LEU A 97 4.550 8.290 1.224 1.00 1.07 C ATOM 1564 CD1 LEU A 97 5.068 7.153 2.086 1.00 1.56 C ATOM 1565 CD2 LEU A 97 5.686 8.917 0.426 1.00 1.50 C ATOM 0 H LEU A 97 1.874 9.553 1.077 1.00 0.54 H new ATOM 0 HA LEU A 97 3.651 9.331 -1.181 1.00 0.67 H new ATOM 0 HB2 LEU A 97 2.653 7.353 0.896 1.00 0.84 H new ATOM 0 HB3 LEU A 97 3.858 6.978 -0.320 1.00 0.84 H new ATOM 0 HG LEU A 97 4.128 9.057 1.874 1.00 1.07 H new ATOM 0 HD11 LEU A 97 5.851 7.525 2.747 1.00 1.56 H new ATOM 0 HD12 LEU A 97 4.251 6.748 2.683 1.00 1.56 H new ATOM 0 HD13 LEU A 97 5.475 6.369 1.448 1.00 1.56 H new ATOM 0 HD21 LEU A 97 6.458 9.271 1.109 1.00 1.50 H new ATOM 0 HD22 LEU A 97 6.111 8.173 -0.248 1.00 1.50 H new ATOM 0 HD23 LEU A 97 5.303 9.756 -0.155 1.00 1.50 H new ATOM 1577 N HIS A 98 2.482 7.724 -2.743 1.00 0.47 N ATOM 1578 CA HIS A 98 1.737 7.028 -3.782 1.00 0.43 C ATOM 1579 C HIS A 98 1.280 5.659 -3.302 1.00 0.49 C ATOM 1580 O HIS A 98 1.949 5.009 -2.489 1.00 0.89 O ATOM 1581 CB HIS A 98 2.598 6.874 -5.038 1.00 0.49 C ATOM 1582 CG HIS A 98 2.917 8.174 -5.708 1.00 0.44 C ATOM 1583 ND1 HIS A 98 3.865 9.029 -5.203 1.00 0.45 N ATOM 1584 CD2 HIS A 98 2.375 8.718 -6.819 1.00 0.56 C ATOM 1585 CE1 HIS A 98 3.877 10.075 -6.011 1.00 0.45 C ATOM 1586 NE2 HIS A 98 2.988 9.933 -7.008 1.00 0.51 N ATOM 0 H HIS A 98 3.477 7.826 -2.943 1.00 0.47 H new ATOM 0 HA HIS A 98 0.855 7.623 -4.020 1.00 0.43 H new ATOM 0 HB2 HIS A 98 3.529 6.374 -4.771 1.00 0.49 H new ATOM 0 HB3 HIS A 98 2.080 6.227 -5.746 1.00 0.49 H new ATOM 0 HD2 HIS A 98 1.607 8.281 -7.440 1.00 0.56 H new ATOM 0 HE1 HIS A 98 4.519 10.934 -5.886 1.00 0.45 H new ATOM 0 HE2 HIS A 98 2.804 10.598 -7.759 1.00 0.51 H new ATOM 1594 N CYS A 99 0.144 5.228 -3.820 1.00 0.34 N ATOM 1595 CA CYS A 99 -0.438 3.952 -3.454 1.00 0.36 C ATOM 1596 C CYS A 99 0.167 2.835 -4.284 1.00 0.34 C ATOM 1597 O CYS A 99 0.739 3.069 -5.349 1.00 0.43 O ATOM 1598 CB CYS A 99 -1.948 3.978 -3.676 1.00 0.44 C ATOM 1599 SG CYS A 99 -2.814 5.280 -2.776 1.00 0.55 S ATOM 0 H CYS A 99 -0.400 5.753 -4.505 1.00 0.34 H new ATOM 0 HA CYS A 99 -0.227 3.772 -2.400 1.00 0.36 H new ATOM 0 HB2 CYS A 99 -2.144 4.098 -4.742 1.00 0.44 H new ATOM 0 HB3 CYS A 99 -2.362 3.013 -3.383 1.00 0.44 H new ATOM 0 HG CYS A 99 -3.588 5.931 -3.593 1.00 0.55 H new ATOM 1605 N LEU A 100 0.026 1.623 -3.789 1.00 0.25 N ATOM 1606 CA LEU A 100 0.517 0.448 -4.474 1.00 0.24 C ATOM 1607 C LEU A 100 -0.453 0.048 -5.574 1.00 0.23 C ATOM 1608 O LEU A 100 -1.648 -0.095 -5.320 1.00 0.31 O ATOM 1609 CB LEU A 100 0.673 -0.698 -3.476 1.00 0.30 C ATOM 1610 CG LEU A 100 1.390 -1.930 -4.011 1.00 0.31 C ATOM 1611 CD1 LEU A 100 2.838 -1.595 -4.324 1.00 0.32 C ATOM 1612 CD2 LEU A 100 1.302 -3.070 -3.012 1.00 0.47 C ATOM 0 H LEU A 100 -0.433 1.426 -2.900 1.00 0.25 H new ATOM 0 HA LEU A 100 1.486 0.670 -4.921 1.00 0.24 H new ATOM 0 HB2 LEU A 100 1.217 -0.330 -2.606 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -0.317 -0.995 -3.130 1.00 0.30 H new ATOM 0 HG LEU A 100 0.903 -2.250 -4.932 1.00 0.31 H new ATOM 0 HD11 LEU A 100 3.342 -2.483 -4.706 1.00 0.32 H new ATOM 0 HD12 LEU A 100 2.875 -0.805 -5.075 1.00 0.32 H new ATOM 0 HD13 LEU A 100 3.337 -1.256 -3.416 1.00 0.32 H new ATOM 0 HD21 LEU A 100 1.819 -3.943 -3.410 1.00 0.47 H new ATOM 0 HD22 LEU A 100 1.768 -2.768 -2.074 1.00 0.47 H new ATOM 0 HD23 LEU A 100 0.256 -3.318 -2.834 1.00 0.47 H new ATOM 1624 N ASN A 101 0.052 -0.115 -6.789 1.00 0.21 N ATOM 1625 CA ASN A 101 -0.786 -0.530 -7.905 1.00 0.22 C ATOM 1626 C ASN A 101 -0.680 -2.032 -8.095 1.00 0.22 C ATOM 1627 O ASN A 101 0.270 -2.537 -8.714 1.00 0.22 O ATOM 1628 CB ASN A 101 -0.401 0.189 -9.198 1.00 0.26 C ATOM 1629 CG ASN A 101 -1.342 -0.143 -10.343 1.00 0.30 C ATOM 1630 OD1 ASN A 101 -2.524 -0.408 -10.132 1.00 1.04 O ATOM 1631 ND2 ASN A 101 -0.826 -0.134 -11.562 1.00 1.06 N ATOM 0 H ASN A 101 1.033 0.033 -7.026 1.00 0.21 H new ATOM 0 HA ASN A 101 -1.816 -0.261 -7.670 1.00 0.22 H new ATOM 0 HB2 ASN A 101 -0.405 1.266 -9.028 1.00 0.26 H new ATOM 0 HB3 ASN A 101 0.617 -0.086 -9.475 1.00 0.26 H new ATOM 0 HD21 ASN A 101 -1.414 -0.352 -12.366 1.00 1.06 H new ATOM 0 HD22 ASN A 101 0.160 0.091 -11.697 1.00 1.06 H new ATOM 1638 N VAL A 102 -1.647 -2.735 -7.529 1.00 0.25 N ATOM 1639 CA VAL A 102 -1.696 -4.182 -7.601 1.00 0.32 C ATOM 1640 C VAL A 102 -3.078 -4.647 -8.039 1.00 0.38 C ATOM 1641 O VAL A 102 -3.928 -3.836 -8.417 1.00 0.37 O ATOM 1642 CB VAL A 102 -1.345 -4.832 -6.244 1.00 0.35 C ATOM 1643 CG1 VAL A 102 0.137 -4.696 -5.956 1.00 0.36 C ATOM 1644 CG2 VAL A 102 -2.155 -4.212 -5.117 1.00 0.32 C ATOM 0 H VAL A 102 -2.418 -2.317 -7.008 1.00 0.25 H new ATOM 0 HA VAL A 102 -0.954 -4.494 -8.336 1.00 0.32 H new ATOM 0 HB VAL A 102 -1.596 -5.891 -6.305 1.00 0.35 H new ATOM 0 HG11 VAL A 102 0.365 -5.160 -4.996 1.00 0.36 H new ATOM 0 HG12 VAL A 102 0.707 -5.190 -6.742 1.00 0.36 H new ATOM 0 HG13 VAL A 102 0.406 -3.640 -5.922 1.00 0.36 H new ATOM 0 HG21 VAL A 102 -1.889 -4.688 -4.173 1.00 0.32 H new ATOM 0 HG22 VAL A 102 -1.940 -3.145 -5.059 1.00 0.32 H new ATOM 0 HG23 VAL A 102 -3.218 -4.358 -5.310 1.00 0.32 H new ATOM 1654 N GLY A 103 -3.304 -5.948 -7.972 1.00 0.50 N ATOM 1655 CA GLY A 103 -4.562 -6.502 -8.413 1.00 0.60 C ATOM 1656 C GLY A 103 -4.507 -6.895 -9.871 1.00 0.69 C ATOM 1657 O GLY A 103 -4.129 -8.016 -10.207 1.00 0.82 O ATOM 0 H GLY A 103 -2.635 -6.632 -7.618 1.00 0.50 H new ATOM 0 HA2 GLY A 103 -4.810 -7.374 -7.808 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -5.357 -5.772 -8.261 1.00 0.60 H new ATOM 1661 N SER A 104 -4.887 -5.969 -10.737 1.00 0.69 N ATOM 1662 CA SER A 104 -4.777 -6.171 -12.169 1.00 0.79 C ATOM 1663 C SER A 104 -4.658 -4.830 -12.879 1.00 0.82 C ATOM 1664 O SER A 104 -4.889 -3.782 -12.272 1.00 0.75 O ATOM 1665 CB SER A 104 -5.982 -6.955 -12.693 1.00 0.95 C ATOM 1666 OG SER A 104 -7.198 -6.332 -12.318 1.00 1.63 O ATOM 0 H SER A 104 -5.276 -5.065 -10.469 1.00 0.69 H new ATOM 0 HA SER A 104 -3.878 -6.753 -12.373 1.00 0.79 H new ATOM 0 HB2 SER A 104 -5.927 -7.029 -13.779 1.00 0.95 H new ATOM 0 HB3 SER A 104 -5.956 -7.972 -12.303 1.00 0.95 H new ATOM 0 HG SER A 104 -7.032 -5.706 -11.583 1.00 1.63 H new ATOM 1672 N SER A 105 -4.297 -4.856 -14.149 1.00 0.99 N ATOM 1673 CA SER A 105 -4.235 -3.639 -14.941 1.00 1.12 C ATOM 1674 C SER A 105 -5.639 -3.102 -15.228 1.00 1.19 C ATOM 1675 O SER A 105 -5.868 -1.890 -15.209 1.00 1.31 O ATOM 1676 CB SER A 105 -3.476 -3.908 -16.238 1.00 1.36 C ATOM 1677 OG SER A 105 -3.748 -5.217 -16.714 1.00 1.63 O ATOM 0 H SER A 105 -4.042 -5.705 -14.654 1.00 0.99 H new ATOM 0 HA SER A 105 -3.702 -2.876 -14.374 1.00 1.12 H new ATOM 0 HB2 SER A 105 -3.762 -3.174 -16.992 1.00 1.36 H new ATOM 0 HB3 SER A 105 -2.405 -3.792 -16.070 1.00 1.36 H new ATOM 0 HG SER A 105 -3.255 -5.371 -17.547 1.00 1.63 H new ATOM 1683 N ILE A 106 -6.580 -4.011 -15.472 1.00 1.22 N ATOM 1684 CA ILE A 106 -7.961 -3.627 -15.746 1.00 1.35 C ATOM 1685 C ILE A 106 -8.687 -3.218 -14.465 1.00 1.21 C ATOM 1686 O ILE A 106 -9.442 -2.244 -14.451 1.00 1.38 O ATOM 1687 CB ILE A 106 -8.748 -4.762 -16.444 1.00 1.52 C ATOM 1688 CG1 ILE A 106 -8.636 -6.072 -15.655 1.00 1.94 C ATOM 1689 CG2 ILE A 106 -8.247 -4.945 -17.869 1.00 1.92 C ATOM 1690 CD1 ILE A 106 -9.486 -7.194 -16.210 1.00 2.18 C ATOM 0 H ILE A 106 -6.411 -5.017 -15.485 1.00 1.22 H new ATOM 0 HA ILE A 106 -7.917 -2.772 -16.421 1.00 1.35 H new ATOM 0 HB ILE A 106 -9.801 -4.483 -16.478 1.00 1.52 H new ATOM 0 HG12 ILE A 106 -7.594 -6.390 -15.643 1.00 1.94 H new ATOM 0 HG13 ILE A 106 -8.925 -5.888 -14.620 1.00 1.94 H new ATOM 0 HG21 ILE A 106 -8.807 -5.746 -18.352 1.00 1.92 H new ATOM 0 HG22 ILE A 106 -8.387 -4.018 -18.426 1.00 1.92 H new ATOM 0 HG23 ILE A 106 -7.188 -5.202 -17.852 1.00 1.92 H new ATOM 0 HD11 ILE A 106 -9.354 -8.087 -15.599 1.00 2.18 H new ATOM 0 HD12 ILE A 106 -10.535 -6.897 -16.196 1.00 2.18 H new ATOM 0 HD13 ILE A 106 -9.183 -7.407 -17.235 1.00 2.18 H new ATOM 1702 N LYS A 107 -8.454 -3.965 -13.395 1.00 0.98 N ATOM 1703 CA LYS A 107 -9.050 -3.662 -12.104 1.00 0.86 C ATOM 1704 C LYS A 107 -7.940 -3.393 -11.096 1.00 0.69 C ATOM 1705 O LYS A 107 -7.483 -4.304 -10.395 1.00 0.64 O ATOM 1706 CB LYS A 107 -9.918 -4.832 -11.628 1.00 0.93 C ATOM 1707 CG LYS A 107 -11.030 -4.425 -10.674 1.00 0.89 C ATOM 1708 CD LYS A 107 -11.560 -5.618 -9.894 1.00 1.01 C ATOM 1709 CE LYS A 107 -10.726 -5.881 -8.651 1.00 1.00 C ATOM 1710 NZ LYS A 107 -10.944 -4.837 -7.614 1.00 1.41 N ATOM 0 H LYS A 107 -7.853 -4.789 -13.397 1.00 0.98 H new ATOM 0 HA LYS A 107 -9.684 -2.781 -12.197 1.00 0.86 H new ATOM 0 HB2 LYS A 107 -10.359 -5.322 -12.496 1.00 0.93 H new ATOM 0 HB3 LYS A 107 -9.281 -5.567 -11.136 1.00 0.93 H new ATOM 0 HG2 LYS A 107 -10.658 -3.672 -9.980 1.00 0.89 H new ATOM 0 HG3 LYS A 107 -11.843 -3.966 -11.236 1.00 0.89 H new ATOM 0 HD2 LYS A 107 -12.596 -5.437 -9.608 1.00 1.01 H new ATOM 0 HD3 LYS A 107 -11.556 -6.502 -10.531 1.00 1.01 H new ATOM 0 HE2 LYS A 107 -10.980 -6.859 -8.242 1.00 1.00 H new ATOM 0 HE3 LYS A 107 -9.670 -5.912 -8.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 -10.632 -5.196 -6.689 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -10.397 -3.986 -7.857 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -11.955 -4.598 -7.570 1.00 1.41 H new ATOM 1724 N SER A 108 -7.492 -2.153 -11.049 1.00 0.64 N ATOM 1725 CA SER A 108 -6.389 -1.771 -10.189 1.00 0.52 C ATOM 1726 C SER A 108 -6.878 -1.482 -8.777 1.00 0.44 C ATOM 1727 O SER A 108 -7.901 -0.825 -8.585 1.00 0.46 O ATOM 1728 CB SER A 108 -5.679 -0.544 -10.768 1.00 0.55 C ATOM 1729 OG SER A 108 -5.215 -0.805 -12.085 1.00 1.25 O ATOM 0 H SER A 108 -7.879 -1.388 -11.601 1.00 0.64 H new ATOM 0 HA SER A 108 -5.684 -2.601 -10.139 1.00 0.52 H new ATOM 0 HB2 SER A 108 -6.362 0.305 -10.780 1.00 0.55 H new ATOM 0 HB3 SER A 108 -4.839 -0.269 -10.130 1.00 0.55 H new ATOM 0 HG SER A 108 -5.074 -1.768 -12.197 1.00 1.25 H new ATOM 1735 N ILE A 109 -6.153 -1.986 -7.796 1.00 0.37 N ATOM 1736 CA ILE A 109 -6.461 -1.706 -6.408 1.00 0.33 C ATOM 1737 C ILE A 109 -5.307 -0.952 -5.779 1.00 0.30 C ATOM 1738 O ILE A 109 -4.147 -1.339 -5.920 1.00 0.28 O ATOM 1739 CB ILE A 109 -6.750 -2.988 -5.592 1.00 0.34 C ATOM 1740 CG1 ILE A 109 -5.608 -3.997 -5.736 1.00 0.39 C ATOM 1741 CG2 ILE A 109 -8.070 -3.602 -6.027 1.00 0.37 C ATOM 1742 CD1 ILE A 109 -5.709 -5.178 -4.795 1.00 0.44 C ATOM 0 H ILE A 109 -5.345 -2.593 -7.936 1.00 0.37 H new ATOM 0 HA ILE A 109 -7.368 -1.102 -6.390 1.00 0.33 H new ATOM 0 HB ILE A 109 -6.824 -2.716 -4.539 1.00 0.34 H new ATOM 0 HG12 ILE A 109 -5.588 -4.364 -6.762 1.00 0.39 H new ATOM 0 HG13 ILE A 109 -4.661 -3.486 -5.561 1.00 0.39 H new ATOM 0 HG21 ILE A 109 -8.261 -4.503 -5.445 1.00 0.37 H new ATOM 0 HG22 ILE A 109 -8.876 -2.886 -5.863 1.00 0.37 H new ATOM 0 HG23 ILE A 109 -8.021 -3.857 -7.086 1.00 0.37 H new ATOM 0 HD11 ILE A 109 -4.864 -5.847 -4.958 1.00 0.44 H new ATOM 0 HD12 ILE A 109 -5.697 -4.824 -3.764 1.00 0.44 H new ATOM 0 HD13 ILE A 109 -6.639 -5.715 -4.984 1.00 0.44 H new ATOM 1754 N LEU A 110 -5.625 0.142 -5.111 1.00 0.30 N ATOM 1755 CA LEU A 110 -4.610 0.979 -4.506 1.00 0.29 C ATOM 1756 C LEU A 110 -4.516 0.682 -3.021 1.00 0.25 C ATOM 1757 O LEU A 110 -5.492 0.823 -2.287 1.00 0.26 O ATOM 1758 CB LEU A 110 -4.925 2.463 -4.729 1.00 0.35 C ATOM 1759 CG LEU A 110 -4.718 2.991 -6.156 1.00 0.45 C ATOM 1760 CD1 LEU A 110 -5.735 2.404 -7.128 1.00 0.96 C ATOM 1761 CD2 LEU A 110 -4.794 4.506 -6.165 1.00 1.32 C ATOM 0 H LEU A 110 -6.581 0.471 -4.975 1.00 0.30 H new ATOM 0 HA LEU A 110 -3.652 0.759 -4.977 1.00 0.29 H new ATOM 0 HB2 LEU A 110 -5.962 2.640 -4.445 1.00 0.35 H new ATOM 0 HB3 LEU A 110 -4.305 3.051 -4.052 1.00 0.35 H new ATOM 0 HG LEU A 110 -3.728 2.678 -6.488 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -5.555 2.802 -8.127 1.00 0.96 H new ATOM 0 HD12 LEU A 110 -5.636 1.319 -7.147 1.00 0.96 H new ATOM 0 HD13 LEU A 110 -6.742 2.671 -6.807 1.00 0.96 H new ATOM 0 HD21 LEU A 110 -4.646 4.872 -7.181 1.00 1.32 H new ATOM 0 HD22 LEU A 110 -5.772 4.823 -5.804 1.00 1.32 H new ATOM 0 HD23 LEU A 110 -4.018 4.913 -5.516 1.00 1.32 H new ATOM 1773 N LEU A 111 -3.338 0.279 -2.588 1.00 0.23 N ATOM 1774 CA LEU A 111 -3.124 -0.103 -1.202 1.00 0.23 C ATOM 1775 C LEU A 111 -1.945 0.663 -0.623 1.00 0.24 C ATOM 1776 O LEU A 111 -0.989 0.961 -1.332 1.00 0.22 O ATOM 1777 CB LEU A 111 -2.859 -1.611 -1.114 1.00 0.22 C ATOM 1778 CG LEU A 111 -3.989 -2.510 -1.626 1.00 0.23 C ATOM 1779 CD1 LEU A 111 -3.566 -3.972 -1.595 1.00 0.23 C ATOM 1780 CD2 LEU A 111 -5.248 -2.307 -0.797 1.00 0.28 C ATOM 0 H LEU A 111 -2.509 0.207 -3.178 1.00 0.23 H new ATOM 0 HA LEU A 111 -4.018 0.139 -0.627 1.00 0.23 H new ATOM 0 HB2 LEU A 111 -1.954 -1.837 -1.679 1.00 0.22 H new ATOM 0 HB3 LEU A 111 -2.658 -1.867 -0.074 1.00 0.22 H new ATOM 0 HG LEU A 111 -4.204 -2.234 -2.658 1.00 0.23 H new ATOM 0 HD11 LEU A 111 -4.382 -4.595 -1.962 1.00 0.23 H new ATOM 0 HD12 LEU A 111 -2.690 -4.111 -2.229 1.00 0.23 H new ATOM 0 HD13 LEU A 111 -3.323 -4.259 -0.572 1.00 0.23 H new ATOM 0 HD21 LEU A 111 -6.040 -2.953 -1.175 1.00 0.28 H new ATOM 0 HD22 LEU A 111 -5.042 -2.556 0.244 1.00 0.28 H new ATOM 0 HD23 LEU A 111 -5.565 -1.266 -0.866 1.00 0.28 H new ATOM 1792 N PRO A 112 -2.003 1.017 0.666 1.00 0.29 N ATOM 1793 CA PRO A 112 -0.872 1.630 1.352 1.00 0.32 C ATOM 1794 C PRO A 112 0.316 0.683 1.375 1.00 0.28 C ATOM 1795 O PRO A 112 0.263 -0.364 2.021 1.00 0.29 O ATOM 1796 CB PRO A 112 -1.384 1.886 2.774 1.00 0.41 C ATOM 1797 CG PRO A 112 -2.869 1.791 2.682 1.00 0.36 C ATOM 1798 CD PRO A 112 -3.163 0.848 1.551 1.00 0.36 C ATOM 0 HA PRO A 112 -0.531 2.541 0.861 1.00 0.32 H new ATOM 0 HB2 PRO A 112 -0.986 1.151 3.473 1.00 0.41 H new ATOM 0 HB3 PRO A 112 -1.074 2.868 3.133 1.00 0.41 H new ATOM 0 HG2 PRO A 112 -3.293 1.422 3.616 1.00 0.36 H new ATOM 0 HG3 PRO A 112 -3.310 2.770 2.496 1.00 0.36 H new ATOM 0 HD2 PRO A 112 -3.258 -0.181 1.898 1.00 0.36 H new ATOM 0 HD3 PRO A 112 -4.095 1.102 1.047 1.00 0.36 H new ATOM 1806 N ILE A 113 1.375 1.042 0.646 1.00 0.27 N ATOM 1807 CA ILE A 113 2.609 0.255 0.623 1.00 0.28 C ATOM 1808 C ILE A 113 3.136 0.066 2.052 1.00 0.26 C ATOM 1809 O ILE A 113 3.893 -0.859 2.343 1.00 0.29 O ATOM 1810 CB ILE A 113 3.679 0.902 -0.304 1.00 0.35 C ATOM 1811 CG1 ILE A 113 4.948 0.049 -0.344 1.00 0.47 C ATOM 1812 CG2 ILE A 113 4.002 2.332 0.124 1.00 0.36 C ATOM 1813 CD1 ILE A 113 6.016 0.586 -1.272 1.00 0.69 C ATOM 0 H ILE A 113 1.402 1.877 0.061 1.00 0.27 H new ATOM 0 HA ILE A 113 2.387 -0.728 0.207 1.00 0.28 H new ATOM 0 HB ILE A 113 3.260 0.946 -1.309 1.00 0.35 H new ATOM 0 HG12 ILE A 113 5.358 -0.023 0.663 1.00 0.47 H new ATOM 0 HG13 ILE A 113 4.685 -0.962 -0.654 1.00 0.47 H new ATOM 0 HG21 ILE A 113 4.753 2.752 -0.546 1.00 0.36 H new ATOM 0 HG22 ILE A 113 3.097 2.938 0.080 1.00 0.36 H new ATOM 0 HG23 ILE A 113 4.387 2.328 1.144 1.00 0.36 H new ATOM 0 HD11 ILE A 113 6.885 -0.072 -1.246 1.00 0.69 H new ATOM 0 HD12 ILE A 113 5.625 0.632 -2.289 1.00 0.69 H new ATOM 0 HD13 ILE A 113 6.308 1.586 -0.950 1.00 0.69 H new ATOM 1825 N GLU A 114 2.699 0.959 2.928 1.00 0.27 N ATOM 1826 CA GLU A 114 2.948 0.879 4.362 1.00 0.34 C ATOM 1827 C GLU A 114 2.524 -0.479 4.950 1.00 0.33 C ATOM 1828 O GLU A 114 3.247 -1.063 5.754 1.00 0.42 O ATOM 1829 CB GLU A 114 2.174 2.032 5.016 1.00 0.38 C ATOM 1830 CG GLU A 114 1.867 1.870 6.493 1.00 0.45 C ATOM 1831 CD GLU A 114 3.088 1.959 7.387 1.00 1.16 C ATOM 1832 OE1 GLU A 114 3.457 3.078 7.777 1.00 1.77 O ATOM 1833 OE2 GLU A 114 3.669 0.909 7.719 1.00 1.74 O ATOM 0 H GLU A 114 2.151 1.776 2.658 1.00 0.27 H new ATOM 0 HA GLU A 114 4.017 0.965 4.560 1.00 0.34 H new ATOM 0 HB2 GLU A 114 2.746 2.950 4.882 1.00 0.38 H new ATOM 0 HB3 GLU A 114 1.233 2.162 4.481 1.00 0.38 H new ATOM 0 HG2 GLU A 114 1.153 2.637 6.792 1.00 0.45 H new ATOM 0 HG3 GLU A 114 1.383 0.906 6.650 1.00 0.45 H new ATOM 1840 N LEU A 115 1.390 -1.011 4.502 1.00 0.27 N ATOM 1841 CA LEU A 115 0.879 -2.272 5.041 1.00 0.31 C ATOM 1842 C LEU A 115 1.051 -3.391 4.033 1.00 0.26 C ATOM 1843 O LEU A 115 0.376 -4.422 4.092 1.00 0.30 O ATOM 1844 CB LEU A 115 -0.591 -2.152 5.448 1.00 0.44 C ATOM 1845 CG LEU A 115 -0.883 -1.117 6.538 1.00 0.50 C ATOM 1846 CD1 LEU A 115 -1.228 0.229 5.924 1.00 0.95 C ATOM 1847 CD2 LEU A 115 -1.998 -1.598 7.448 1.00 0.80 C ATOM 0 H LEU A 115 0.810 -0.594 3.773 1.00 0.27 H new ATOM 0 HA LEU A 115 1.459 -2.507 5.934 1.00 0.31 H new ATOM 0 HB2 LEU A 115 -1.177 -1.900 4.564 1.00 0.44 H new ATOM 0 HB3 LEU A 115 -0.937 -3.127 5.793 1.00 0.44 H new ATOM 0 HG LEU A 115 0.017 -0.992 7.140 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -1.432 0.949 6.717 1.00 0.95 H new ATOM 0 HD12 LEU A 115 -0.390 0.580 5.322 1.00 0.95 H new ATOM 0 HD13 LEU A 115 -2.110 0.125 5.292 1.00 0.95 H new ATOM 0 HD21 LEU A 115 -2.190 -0.848 8.216 1.00 0.80 H new ATOM 0 HD22 LEU A 115 -2.903 -1.757 6.862 1.00 0.80 H new ATOM 0 HD23 LEU A 115 -1.703 -2.534 7.921 1.00 0.80 H new ATOM 1859 N CYS A 116 1.957 -3.168 3.104 1.00 0.23 N ATOM 1860 CA CYS A 116 2.341 -4.184 2.151 1.00 0.24 C ATOM 1861 C CYS A 116 3.673 -4.763 2.589 1.00 0.24 C ATOM 1862 O CYS A 116 4.627 -4.024 2.812 1.00 0.37 O ATOM 1863 CB CYS A 116 2.431 -3.582 0.753 1.00 0.25 C ATOM 1864 SG CYS A 116 0.919 -2.732 0.248 1.00 0.28 S ATOM 0 H CYS A 116 2.446 -2.280 2.990 1.00 0.23 H new ATOM 0 HA CYS A 116 1.596 -4.979 2.116 1.00 0.24 H new ATOM 0 HB2 CYS A 116 3.264 -2.880 0.719 1.00 0.25 H new ATOM 0 HB3 CYS A 116 2.652 -4.373 0.037 1.00 0.25 H new ATOM 0 HG CYS A 116 0.649 -1.785 1.097 1.00 0.28 H new ATOM 1870 N SER A 117 3.731 -6.067 2.753 1.00 0.22 N ATOM 1871 CA SER A 117 4.891 -6.690 3.357 1.00 0.25 C ATOM 1872 C SER A 117 5.496 -7.755 2.435 1.00 0.27 C ATOM 1873 O SER A 117 4.866 -8.763 2.142 1.00 0.35 O ATOM 1874 CB SER A 117 4.466 -7.274 4.711 1.00 0.27 C ATOM 1875 OG SER A 117 5.551 -7.845 5.405 1.00 0.34 O ATOM 0 H SER A 117 2.993 -6.715 2.478 1.00 0.22 H new ATOM 0 HA SER A 117 5.675 -5.949 3.513 1.00 0.25 H new ATOM 0 HB2 SER A 117 4.019 -6.488 5.320 1.00 0.27 H new ATOM 0 HB3 SER A 117 3.698 -8.031 4.554 1.00 0.27 H new ATOM 0 HG SER A 117 5.239 -8.204 6.262 1.00 0.34 H new ATOM 1881 N ILE A 118 6.729 -7.520 1.992 1.00 0.23 N ATOM 1882 CA ILE A 118 7.405 -8.417 1.058 1.00 0.22 C ATOM 1883 C ILE A 118 7.778 -9.727 1.736 1.00 0.24 C ATOM 1884 O ILE A 118 8.322 -9.735 2.835 1.00 0.28 O ATOM 1885 CB ILE A 118 8.680 -7.755 0.465 1.00 0.24 C ATOM 1886 CG1 ILE A 118 8.328 -6.965 -0.792 1.00 0.41 C ATOM 1887 CG2 ILE A 118 9.772 -8.770 0.164 1.00 0.25 C ATOM 1888 CD1 ILE A 118 9.534 -6.502 -1.587 1.00 0.50 C ATOM 0 H ILE A 118 7.284 -6.710 2.267 1.00 0.23 H new ATOM 0 HA ILE A 118 6.709 -8.624 0.245 1.00 0.22 H new ATOM 0 HB ILE A 118 9.073 -7.075 1.221 1.00 0.24 H new ATOM 0 HG12 ILE A 118 7.699 -7.583 -1.433 1.00 0.41 H new ATOM 0 HG13 ILE A 118 7.737 -6.094 -0.508 1.00 0.41 H new ATOM 0 HG21 ILE A 118 10.641 -8.258 -0.248 1.00 0.25 H new ATOM 0 HG22 ILE A 118 10.055 -9.283 1.083 1.00 0.25 H new ATOM 0 HG23 ILE A 118 9.403 -9.498 -0.559 1.00 0.25 H new ATOM 0 HD11 ILE A 118 9.200 -5.948 -2.465 1.00 0.50 H new ATOM 0 HD12 ILE A 118 10.154 -5.857 -0.965 1.00 0.50 H new ATOM 0 HD13 ILE A 118 10.115 -7.368 -1.904 1.00 0.50 H new ATOM 1900 N GLU A 119 7.493 -10.836 1.076 1.00 0.35 N ATOM 1901 CA GLU A 119 7.811 -12.131 1.648 1.00 0.49 C ATOM 1902 C GLU A 119 9.105 -12.652 1.033 1.00 0.52 C ATOM 1903 O GLU A 119 9.211 -12.800 -0.186 1.00 0.63 O ATOM 1904 CB GLU A 119 6.660 -13.111 1.413 1.00 0.72 C ATOM 1905 CG GLU A 119 6.793 -14.419 2.179 1.00 1.01 C ATOM 1906 CD GLU A 119 5.663 -15.388 1.880 1.00 1.60 C ATOM 1907 OE1 GLU A 119 4.583 -15.263 2.492 1.00 1.77 O ATOM 1908 OE2 GLU A 119 5.850 -16.279 1.031 1.00 2.30 O ATOM 0 H GLU A 119 7.049 -10.867 0.158 1.00 0.35 H new ATOM 0 HA GLU A 119 7.950 -12.029 2.724 1.00 0.49 H new ATOM 0 HB2 GLU A 119 5.724 -12.630 1.696 1.00 0.72 H new ATOM 0 HB3 GLU A 119 6.596 -13.331 0.347 1.00 0.72 H new ATOM 0 HG2 GLU A 119 7.745 -14.888 1.928 1.00 1.01 H new ATOM 0 HG3 GLU A 119 6.813 -14.209 3.248 1.00 1.01 H new ATOM 1915 N GLU A 120 10.089 -12.927 1.882 1.00 0.67 N ATOM 1916 CA GLU A 120 11.392 -13.394 1.422 1.00 0.86 C ATOM 1917 C GLU A 120 11.297 -14.846 0.994 1.00 1.01 C ATOM 1918 O GLU A 120 12.053 -15.318 0.144 1.00 1.25 O ATOM 1919 CB GLU A 120 12.433 -13.248 2.526 1.00 1.16 C ATOM 1920 CG GLU A 120 12.346 -11.924 3.249 1.00 1.77 C ATOM 1921 CD GLU A 120 13.502 -11.700 4.196 1.00 2.40 C ATOM 1922 OE1 GLU A 120 14.601 -11.339 3.725 1.00 2.91 O ATOM 1923 OE2 GLU A 120 13.325 -11.891 5.416 1.00 2.64 O ATOM 0 H GLU A 120 10.009 -12.834 2.895 1.00 0.67 H new ATOM 0 HA GLU A 120 11.699 -12.786 0.571 1.00 0.86 H new ATOM 0 HB2 GLU A 120 12.307 -14.057 3.245 1.00 1.16 H new ATOM 0 HB3 GLU A 120 13.429 -13.356 2.095 1.00 1.16 H new ATOM 0 HG2 GLU A 120 12.319 -11.116 2.518 1.00 1.77 H new ATOM 0 HG3 GLU A 120 11.411 -11.880 3.807 1.00 1.77 H new