USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1051 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 1 TYR N :NH3+ 175:sc= 0.0289 (180deg=0.00479) USER MOD Set 1.2: A 132 SER OG : rot -170:sc= -0.247 USER MOD Set 2.1: A 111 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Set 2.2: A 120 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.57) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.011 (180deg=-0.154) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 123:sc= 0.289 USER MOD Single : A 9 CYS SG : rot -154:sc= -3.95! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.2) USER MOD Single : A 14 HIS : no HE2:sc= -0.473 K(o=-0.47,f=-6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0501 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0917 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 34 HIS : no HE2:sc= 0.11 K(o=0.11,f=-0.68) USER MOD Single : A 36 GLN : amide:sc= -2.57! C(o=-2.6!,f=-2.9!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.906 F(o=-2!,f=-0.91) USER MOD Single : A 40 SER OG : rot -99:sc= 1.15 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -169:sc= 0.804 USER MOD Single : A 52 THR OG1 : rot -110:sc= -2.03! USER MOD Single : A 54 THR OG1 : rot -100:sc= -3.39! USER MOD Single : A 56 GLN :FLIP amide:sc= -11.3! C(o=-13!,f=-11!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 142:sc= -3.38! (180deg=-7.46!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -117:sc= 0.612 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.86) USER MOD Single : A 76 CYS SG : rot -84:sc= -0.195 USER MOD Single : A 85 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.0019) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot -111:sc= 0.948 USER MOD Single : A 88 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 89 THR OG1 : rot 83:sc= 1.01 USER MOD Single : A 90 TYR OH : rot 37:sc= 0.163 USER MOD Single : A 92 SER OG : rot -76:sc= 0.784 USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 1.11 (180deg=1.07) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.795) USER MOD Single : A 95 HIS :FLIP no HE2:sc= -0.312 F(o=-2.2,f=-0.31) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.444 K(o=0.44,f=-0.24) USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= -0.0523 (180deg=-0.317) USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= 1.07 (180deg=0.278) USER MOD Single : A 107 ASN : amide:sc= 0.886 K(o=0.89,f=-3.5!) USER MOD Single : A 109 SER OG : rot 180:sc= -0.032 USER MOD Single : A 110 CYS SG : rot 130:sc= 1.33 USER MOD Single : A 116 THR OG1 : rot 53:sc= -3.33! USER MOD Single : A 117 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 118 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 121 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0495) USER MOD Single : A 131 SER OG : rot 96:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.110 -7.388 10.625 1.00 2.41 N ATOM 2 CA TYR A 1 16.096 -7.197 9.567 1.00 2.09 C ATOM 3 C TYR A 1 15.414 -5.854 9.735 1.00 2.03 C ATOM 4 O TYR A 1 15.287 -5.346 10.849 1.00 2.57 O ATOM 5 CB TYR A 1 15.044 -8.308 9.621 1.00 2.90 C ATOM 6 CG TYR A 1 15.517 -9.630 9.066 1.00 3.87 C ATOM 7 CD1 TYR A 1 16.171 -10.545 9.881 1.00 4.74 C ATOM 8 CD2 TYR A 1 15.318 -9.962 7.732 1.00 4.39 C ATOM 9 CE1 TYR A 1 16.611 -11.755 9.383 1.00 5.86 C ATOM 10 CE2 TYR A 1 15.754 -11.172 7.227 1.00 5.57 C ATOM 11 CZ TYR A 1 16.371 -12.062 8.032 1.00 6.21 C ATOM 12 OH TYR A 1 16.838 -13.269 7.560 1.00 7.47 O ATOM 0 H1 TYR A 1 17.512 -8.344 10.552 1.00 2.41 H new ATOM 0 H2 TYR A 1 17.868 -6.685 10.511 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.665 -7.269 11.558 1.00 2.41 H new ATOM 0 HA TYR A 1 16.601 -7.232 8.602 1.00 2.09 H new ATOM 0 HB2 TYR A 1 14.734 -8.450 10.656 1.00 2.90 H new ATOM 0 HB3 TYR A 1 14.163 -7.987 9.066 1.00 2.90 H new ATOM 0 HD1 TYR A 1 16.338 -10.306 10.921 1.00 4.74 H new ATOM 0 HD2 TYR A 1 14.815 -9.264 7.080 1.00 4.39 H new ATOM 0 HE1 TYR A 1 17.131 -12.454 10.021 1.00 5.86 H new ATOM 0 HE2 TYR A 1 15.600 -11.406 6.184 1.00 5.57 H new ATOM 0 HH TYR A 1 16.607 -13.361 6.612 1.00 7.47 H new ATOM 24 N LYS A 2 14.972 -5.283 8.631 1.00 2.03 N ATOM 25 CA LYS A 2 14.272 -4.017 8.668 1.00 2.09 C ATOM 26 C LYS A 2 12.777 -4.276 8.728 1.00 1.28 C ATOM 27 O LYS A 2 12.273 -5.221 8.123 1.00 1.83 O ATOM 28 CB LYS A 2 14.598 -3.187 7.424 1.00 3.32 C ATOM 29 CG LYS A 2 16.085 -2.947 7.199 1.00 4.26 C ATOM 30 CD LYS A 2 16.680 -2.011 8.240 1.00 5.27 C ATOM 31 CE LYS A 2 16.045 -0.629 8.189 1.00 6.31 C ATOM 32 NZ LYS A 2 16.725 0.323 9.109 1.00 6.96 N ATOM 0 H LYS A 2 15.086 -5.678 7.697 1.00 2.03 H new ATOM 0 HA LYS A 2 14.590 -3.461 9.550 1.00 2.09 H new ATOM 0 HB2 LYS A 2 14.187 -3.690 6.549 1.00 3.32 H new ATOM 0 HB3 LYS A 2 14.095 -2.223 7.503 1.00 3.32 H new ATOM 0 HG2 LYS A 2 16.613 -3.900 7.226 1.00 4.26 H new ATOM 0 HG3 LYS A 2 16.237 -2.526 6.205 1.00 4.26 H new ATOM 0 HD2 LYS A 2 16.542 -2.438 9.233 1.00 5.27 H new ATOM 0 HD3 LYS A 2 17.754 -1.923 8.078 1.00 5.27 H new ATOM 0 HE2 LYS A 2 16.090 -0.245 7.170 1.00 6.31 H new ATOM 0 HE3 LYS A 2 14.991 -0.703 8.456 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 16.265 1.254 9.047 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 16.660 -0.031 10.085 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 17.725 0.412 8.839 1.00 6.96 H new ATOM 46 N LYS A 3 12.078 -3.442 9.473 1.00 0.93 N ATOM 47 CA LYS A 3 10.631 -3.539 9.575 1.00 0.96 C ATOM 48 C LYS A 3 9.904 -2.985 8.349 1.00 0.78 C ATOM 49 O LYS A 3 8.864 -3.529 7.981 1.00 1.17 O ATOM 50 CB LYS A 3 10.107 -2.819 10.804 1.00 1.91 C ATOM 51 CG LYS A 3 10.078 -3.669 12.067 1.00 2.62 C ATOM 52 CD LYS A 3 11.475 -4.069 12.517 1.00 3.43 C ATOM 53 CE LYS A 3 11.427 -5.020 13.703 1.00 4.25 C ATOM 54 NZ LYS A 3 10.711 -4.429 14.866 1.00 4.81 N ATOM 0 H LYS A 3 12.489 -2.685 10.020 1.00 0.93 H new ATOM 0 HA LYS A 3 10.425 -4.607 9.648 1.00 0.96 H new ATOM 0 HB2 LYS A 3 10.725 -1.940 10.986 1.00 1.91 H new ATOM 0 HB3 LYS A 3 9.098 -2.462 10.598 1.00 1.91 H new ATOM 0 HG2 LYS A 3 9.585 -3.115 12.866 1.00 2.62 H new ATOM 0 HG3 LYS A 3 9.484 -4.565 11.887 1.00 2.62 H new ATOM 0 HD2 LYS A 3 12.003 -4.543 11.690 1.00 3.43 H new ATOM 0 HD3 LYS A 3 12.041 -3.177 12.787 1.00 3.43 H new ATOM 0 HE2 LYS A 3 10.933 -5.945 13.406 1.00 4.25 H new ATOM 0 HE3 LYS A 3 12.443 -5.282 13.998 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 10.847 -5.034 15.701 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 11.089 -3.480 15.061 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 9.696 -4.359 14.650 1.00 4.81 H new ATOM 68 N PRO A 4 10.383 -1.868 7.731 1.00 0.45 N ATOM 69 CA PRO A 4 9.790 -1.335 6.509 1.00 0.41 C ATOM 70 C PRO A 4 9.433 -2.428 5.521 1.00 0.39 C ATOM 71 O PRO A 4 10.291 -3.175 5.066 1.00 0.53 O ATOM 72 CB PRO A 4 10.887 -0.432 5.921 1.00 0.59 C ATOM 73 CG PRO A 4 12.054 -0.549 6.848 1.00 0.72 C ATOM 74 CD PRO A 4 11.493 -1.010 8.160 1.00 0.80 C ATOM 0 HA PRO A 4 8.858 -0.809 6.716 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.155 -0.749 4.913 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.546 0.601 5.850 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.787 -1.259 6.465 1.00 0.72 H new ATOM 0 HG3 PRO A 4 12.564 0.408 6.956 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.229 -1.558 8.749 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.151 -0.176 8.773 1.00 0.80 H new ATOM 82 N LYS A 5 8.162 -2.538 5.219 1.00 0.38 N ATOM 83 CA LYS A 5 7.705 -3.501 4.257 1.00 0.38 C ATOM 84 C LYS A 5 7.649 -2.852 2.888 1.00 0.35 C ATOM 85 O LYS A 5 7.670 -1.632 2.757 1.00 0.40 O ATOM 86 CB LYS A 5 6.343 -4.081 4.663 1.00 0.44 C ATOM 87 CG LYS A 5 6.401 -4.839 5.983 1.00 1.16 C ATOM 88 CD LYS A 5 5.266 -5.845 6.143 1.00 1.64 C ATOM 89 CE LYS A 5 3.921 -5.174 6.360 1.00 2.57 C ATOM 90 NZ LYS A 5 2.878 -6.150 6.779 1.00 3.33 N ATOM 0 H LYS A 5 7.424 -1.967 5.631 1.00 0.38 H new ATOM 0 HA LYS A 5 8.406 -4.335 4.221 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.617 -3.272 4.744 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.988 -4.750 3.879 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.355 -5.362 6.054 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.366 -4.126 6.807 1.00 1.16 H new ATOM 0 HD2 LYS A 5 5.215 -6.475 5.255 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.482 -6.500 6.987 1.00 1.64 H new ATOM 0 HE2 LYS A 5 4.020 -4.399 7.120 1.00 2.57 H new ATOM 0 HE3 LYS A 5 3.608 -4.680 5.440 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 1.974 -5.654 6.917 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 2.766 -6.876 6.043 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.164 -6.603 7.670 1.00 3.33 H new ATOM 104 N LEU A 6 7.631 -3.679 1.883 1.00 0.35 N ATOM 105 CA LEU A 6 7.636 -3.231 0.512 1.00 0.37 C ATOM 106 C LEU A 6 6.214 -3.260 -0.023 1.00 0.37 C ATOM 107 O LEU A 6 5.443 -4.164 0.313 1.00 0.46 O ATOM 108 CB LEU A 6 8.545 -4.168 -0.297 1.00 0.51 C ATOM 109 CG LEU A 6 9.115 -3.641 -1.620 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.109 -4.641 -2.173 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.025 -3.401 -2.645 1.00 1.49 C ATOM 0 H LEU A 6 7.612 -4.693 1.988 1.00 0.35 H new ATOM 0 HA LEU A 6 8.013 -2.211 0.434 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.383 -4.454 0.339 1.00 0.51 H new ATOM 0 HB3 LEU A 6 7.983 -5.077 -0.512 1.00 0.51 H new ATOM 0 HG LEU A 6 9.605 -2.688 -1.418 1.00 0.64 H new ATOM 0 HD11 LEU A 6 10.515 -4.268 -3.113 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.920 -4.782 -1.458 1.00 1.24 H new ATOM 0 HD13 LEU A 6 9.609 -5.594 -2.346 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.469 -3.028 -3.568 1.00 1.49 H new ATOM 0 HD22 LEU A 6 7.502 -4.336 -2.846 1.00 1.49 H new ATOM 0 HD23 LEU A 6 7.319 -2.666 -2.260 1.00 1.49 H new ATOM 123 N LEU A 7 5.882 -2.290 -0.860 1.00 0.36 N ATOM 124 CA LEU A 7 4.595 -2.272 -1.524 1.00 0.39 C ATOM 125 C LEU A 7 4.754 -2.972 -2.851 1.00 0.41 C ATOM 126 O LEU A 7 5.125 -2.360 -3.858 1.00 0.58 O ATOM 127 CB LEU A 7 4.144 -0.821 -1.759 1.00 0.55 C ATOM 128 CG LEU A 7 2.696 -0.585 -2.247 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.424 -1.119 -3.648 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.699 -1.152 -1.248 1.00 1.25 C ATOM 0 H LEU A 7 6.490 -1.505 -1.094 1.00 0.36 H new ATOM 0 HA LEU A 7 3.846 -2.772 -0.910 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.276 -0.274 -0.825 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.820 -0.374 -2.488 1.00 0.55 H new ATOM 0 HG LEU A 7 2.569 0.496 -2.312 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.388 -0.916 -3.920 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.089 -0.629 -4.360 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.600 -2.194 -3.668 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.685 -0.977 -1.607 1.00 1.25 H new ATOM 0 HD22 LEU A 7 1.865 -2.224 -1.137 1.00 1.25 H new ATOM 0 HD23 LEU A 7 1.832 -0.662 -0.283 1.00 1.25 H new ATOM 142 N TYR A 8 4.525 -4.265 -2.846 1.00 0.50 N ATOM 143 CA TYR A 8 4.485 -4.987 -4.089 1.00 0.71 C ATOM 144 C TYR A 8 3.109 -5.627 -4.225 1.00 0.44 C ATOM 145 O TYR A 8 2.914 -6.756 -3.797 1.00 0.73 O ATOM 146 CB TYR A 8 5.607 -6.041 -3.960 1.00 1.29 C ATOM 147 CG TYR A 8 5.850 -6.985 -5.118 1.00 1.60 C ATOM 148 CD1 TYR A 8 5.077 -8.126 -5.290 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.904 -6.768 -5.996 1.00 2.21 C ATOM 150 CE1 TYR A 8 5.343 -9.020 -6.307 1.00 2.43 C ATOM 151 CE2 TYR A 8 7.171 -7.653 -7.021 1.00 2.93 C ATOM 152 CZ TYR A 8 6.390 -8.777 -7.170 1.00 2.96 C ATOM 153 OH TYR A 8 6.658 -9.661 -8.182 1.00 3.74 O ATOM 0 H TYR A 8 4.367 -4.827 -2.010 1.00 0.50 H new ATOM 0 HA TYR A 8 4.638 -4.369 -4.973 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.539 -5.510 -3.764 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.393 -6.646 -3.079 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.254 -8.317 -4.617 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.525 -5.893 -5.875 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.735 -9.904 -6.426 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.988 -7.465 -7.702 1.00 2.93 H new ATOM 0 HH TYR A 8 6.622 -9.194 -9.043 1.00 3.74 H new ATOM 163 N CYS A 9 2.145 -4.932 -4.850 1.00 0.63 N ATOM 164 CA CYS A 9 0.874 -5.592 -5.119 1.00 0.75 C ATOM 165 C CYS A 9 0.424 -5.454 -6.573 1.00 1.05 C ATOM 166 O CYS A 9 -0.414 -4.620 -6.912 1.00 1.99 O ATOM 167 CB CYS A 9 -0.154 -4.935 -4.210 1.00 1.57 C ATOM 168 SG CYS A 9 0.551 -4.368 -2.641 1.00 2.64 S ATOM 0 H CYS A 9 2.219 -3.964 -5.162 1.00 0.63 H new ATOM 0 HA CYS A 9 0.981 -6.661 -4.933 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.601 -4.087 -4.729 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.957 -5.644 -4.007 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.378 -4.343 -1.732 1.00 2.64 H new ATOM 174 N SER A 10 1.042 -6.223 -7.424 1.00 0.83 N ATOM 175 CA SER A 10 0.513 -6.784 -8.641 1.00 1.29 C ATOM 176 C SER A 10 1.203 -8.123 -8.724 1.00 0.84 C ATOM 177 O SER A 10 2.297 -8.224 -8.146 1.00 1.34 O ATOM 178 CB SER A 10 0.828 -5.905 -9.851 1.00 2.36 C ATOM 179 OG SER A 10 0.213 -6.397 -11.026 1.00 3.16 O ATOM 0 H SER A 10 2.012 -6.499 -7.273 1.00 0.83 H new ATOM 0 HA SER A 10 -0.574 -6.865 -8.639 1.00 1.29 H new ATOM 0 HB2 SER A 10 0.488 -4.887 -9.660 1.00 2.36 H new ATOM 0 HB3 SER A 10 1.907 -5.858 -9.997 1.00 2.36 H new ATOM 0 HG SER A 10 0.433 -5.811 -11.780 1.00 3.16 H new ATOM 185 N ASN A 11 0.704 -9.140 -9.388 1.00 1.45 N ATOM 186 CA ASN A 11 1.668 -10.167 -9.731 1.00 1.79 C ATOM 187 C ASN A 11 2.395 -9.684 -10.990 1.00 1.40 C ATOM 188 O ASN A 11 1.907 -9.829 -12.110 1.00 1.83 O ATOM 189 CB ASN A 11 0.987 -11.518 -9.962 1.00 2.89 C ATOM 190 CG ASN A 11 1.988 -12.642 -10.143 1.00 3.45 C ATOM 191 OD1 ASN A 11 3.116 -12.571 -9.657 1.00 3.71 O ATOM 192 ND2 ASN A 11 1.576 -13.699 -10.822 1.00 4.02 N ATOM 0 H ASN A 11 -0.264 -9.279 -9.679 1.00 1.45 H new ATOM 0 HA ASN A 11 2.373 -10.323 -8.914 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.338 -11.745 -9.116 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.350 -11.456 -10.845 1.00 2.89 H new ATOM 0 HD21 ASN A 11 2.201 -14.493 -10.958 1.00 4.02 H new ATOM 0 HD22 ASN A 11 0.633 -13.720 -11.210 1.00 4.02 H new ATOM 199 N GLY A 12 3.563 -9.084 -10.760 1.00 1.41 N ATOM 200 CA GLY A 12 4.395 -8.536 -11.825 1.00 1.36 C ATOM 201 C GLY A 12 5.840 -8.410 -11.380 1.00 1.49 C ATOM 202 O GLY A 12 6.513 -9.397 -11.101 1.00 2.34 O ATOM 0 H GLY A 12 3.957 -8.965 -9.827 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.337 -9.179 -12.703 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.016 -7.558 -12.120 1.00 1.36 H new ATOM 206 N GLY A 13 6.298 -7.152 -11.311 1.00 0.97 N ATOM 207 CA GLY A 13 7.471 -6.808 -10.522 1.00 1.26 C ATOM 208 C GLY A 13 7.853 -5.332 -10.630 1.00 0.84 C ATOM 209 O GLY A 13 8.757 -4.960 -11.372 1.00 0.89 O ATOM 0 H GLY A 13 5.869 -6.363 -11.794 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.283 -7.053 -9.477 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.313 -7.420 -10.847 1.00 1.26 H new ATOM 213 N HIS A 14 7.129 -4.496 -9.886 1.00 0.78 N ATOM 214 CA HIS A 14 7.487 -3.104 -9.623 1.00 0.61 C ATOM 215 C HIS A 14 7.337 -2.844 -8.126 1.00 0.61 C ATOM 216 O HIS A 14 6.828 -3.711 -7.417 1.00 0.92 O ATOM 217 CB HIS A 14 6.655 -2.126 -10.455 1.00 0.85 C ATOM 218 CG HIS A 14 7.132 -1.984 -11.871 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.292 -1.766 -12.941 1.00 1.31 N ATOM 220 CD2 HIS A 14 8.380 -2.021 -12.385 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.002 -1.685 -14.047 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.270 -1.837 -13.737 1.00 0.95 N ATOM 0 H HIS A 14 6.256 -4.776 -9.439 1.00 0.78 H new ATOM 0 HA HIS A 14 8.522 -2.937 -9.922 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.617 -2.459 -10.462 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.672 -1.148 -9.975 1.00 0.85 H new ATOM 0 HD1 HIS A 14 5.277 -1.681 -12.885 1.00 1.31 H new ATOM 0 HD2 HIS A 14 9.296 -2.168 -11.832 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.609 -1.522 -15.040 1.00 1.17 H new ATOM 231 N PHE A 15 7.798 -1.698 -7.634 1.00 0.49 N ATOM 232 CA PHE A 15 7.703 -1.376 -6.217 1.00 0.45 C ATOM 233 C PHE A 15 7.213 0.062 -6.078 1.00 0.39 C ATOM 234 O PHE A 15 7.689 0.930 -6.802 1.00 0.41 O ATOM 235 CB PHE A 15 9.071 -1.525 -5.542 1.00 0.51 C ATOM 236 CG PHE A 15 9.851 -2.739 -5.975 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.437 -4.007 -5.600 1.00 1.13 C ATOM 238 CD2 PHE A 15 10.989 -2.617 -6.756 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.143 -5.128 -5.994 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.699 -3.734 -7.153 1.00 1.62 C ATOM 241 CZ PHE A 15 11.306 -4.969 -6.779 1.00 1.82 C ATOM 0 H PHE A 15 8.243 -0.975 -8.200 1.00 0.49 H new ATOM 0 HA PHE A 15 7.006 -2.060 -5.733 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.664 -0.634 -5.750 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.927 -1.567 -4.462 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.552 -4.121 -4.992 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.325 -1.636 -7.058 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.809 -6.114 -5.705 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.578 -3.617 -7.769 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.879 -5.834 -7.079 1.00 1.82 H new ATOM 251 N LEU A 16 6.324 0.337 -5.127 1.00 0.43 N ATOM 252 CA LEU A 16 5.699 1.641 -5.034 1.00 0.50 C ATOM 253 C LEU A 16 6.607 2.569 -4.247 1.00 0.48 C ATOM 254 O LEU A 16 7.027 2.262 -3.133 1.00 0.64 O ATOM 255 CB LEU A 16 4.366 1.501 -4.302 1.00 0.75 C ATOM 256 CG LEU A 16 3.205 2.341 -4.826 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.672 1.766 -6.123 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.098 2.410 -3.793 1.00 1.59 C ATOM 0 H LEU A 16 6.025 -0.328 -4.414 1.00 0.43 H new ATOM 0 HA LEU A 16 5.532 2.047 -6.031 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.069 0.453 -4.334 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.525 1.756 -3.254 1.00 0.75 H new ATOM 0 HG LEU A 16 3.571 3.349 -5.019 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.845 2.379 -6.480 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.466 1.757 -6.870 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.322 0.748 -5.953 1.00 2.23 H new ATOM 0 HD21 LEU A 16 1.276 3.012 -4.180 1.00 1.59 H new ATOM 0 HD22 LEU A 16 1.740 1.404 -3.576 1.00 1.59 H new ATOM 0 HD23 LEU A 16 2.481 2.864 -2.879 1.00 1.59 H new ATOM 270 N ARG A 17 6.921 3.689 -4.869 1.00 0.40 N ATOM 271 CA ARG A 17 7.953 4.589 -4.393 1.00 0.42 C ATOM 272 C ARG A 17 7.377 5.985 -4.276 1.00 0.35 C ATOM 273 O ARG A 17 6.456 6.328 -5.017 1.00 0.37 O ATOM 274 CB ARG A 17 9.127 4.565 -5.376 1.00 0.59 C ATOM 275 CG ARG A 17 9.908 3.261 -5.372 1.00 1.00 C ATOM 276 CD ARG A 17 10.979 3.245 -6.456 1.00 1.17 C ATOM 277 NE ARG A 17 12.072 4.181 -6.179 1.00 1.46 N ATOM 278 CZ ARG A 17 12.232 5.355 -6.795 1.00 1.93 C ATOM 279 NH1 ARG A 17 11.359 5.753 -7.716 1.00 2.43 N ATOM 280 NH2 ARG A 17 13.269 6.122 -6.488 1.00 2.61 N ATOM 0 H ARG A 17 6.464 4.002 -5.725 1.00 0.40 H new ATOM 0 HA ARG A 17 8.311 4.276 -3.412 1.00 0.42 H new ATOM 0 HB2 ARG A 17 8.749 4.748 -6.382 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.805 5.384 -5.137 1.00 0.59 H new ATOM 0 HG2 ARG A 17 10.374 3.118 -4.397 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.224 2.426 -5.523 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.383 2.237 -6.548 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.525 3.495 -7.415 1.00 1.17 H new ATOM 0 HE ARG A 17 12.756 3.918 -5.469 1.00 1.46 H new ATOM 0 HH11 ARG A 17 10.563 5.161 -7.954 1.00 2.43 H new ATOM 0 HH12 ARG A 17 11.485 6.650 -8.184 1.00 2.43 H new ATOM 0 HH21 ARG A 17 13.940 5.814 -5.784 1.00 2.61 H new ATOM 0 HH22 ARG A 17 13.396 7.020 -6.956 1.00 2.61 H new ATOM 294 N ILE A 18 7.898 6.800 -3.365 1.00 0.33 N ATOM 295 CA ILE A 18 7.316 8.112 -3.170 1.00 0.31 C ATOM 296 C ILE A 18 8.000 9.171 -4.018 1.00 0.32 C ATOM 297 O ILE A 18 9.230 9.207 -4.145 1.00 0.36 O ATOM 298 CB ILE A 18 7.374 8.574 -1.702 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.816 8.842 -1.259 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.726 7.545 -0.795 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.921 9.644 0.023 1.00 0.91 C ATOM 0 H ILE A 18 8.697 6.581 -2.770 1.00 0.33 H new ATOM 0 HA ILE A 18 6.275 8.005 -3.475 1.00 0.31 H new ATOM 0 HB ILE A 18 6.819 9.509 -1.625 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.328 7.889 -1.124 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.338 9.375 -2.054 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.776 7.888 0.238 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.683 7.411 -1.083 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.252 6.595 -0.888 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.971 9.794 0.273 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.439 10.612 -0.113 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.429 9.104 0.832 1.00 0.91 H new ATOM 313 N LEU A 19 7.170 10.002 -4.624 1.00 0.36 N ATOM 314 CA LEU A 19 7.610 11.211 -5.289 1.00 0.42 C ATOM 315 C LEU A 19 7.004 12.395 -4.547 1.00 0.41 C ATOM 316 O LEU A 19 5.863 12.322 -4.103 1.00 0.43 O ATOM 317 CB LEU A 19 7.185 11.232 -6.765 1.00 0.54 C ATOM 318 CG LEU A 19 7.892 10.224 -7.682 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.363 8.813 -7.470 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.740 10.633 -9.139 1.00 1.84 C ATOM 0 H LEU A 19 6.162 9.853 -4.667 1.00 0.36 H new ATOM 0 HA LEU A 19 8.699 11.260 -5.273 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.112 11.049 -6.816 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.357 12.234 -7.158 1.00 0.54 H new ATOM 0 HG LEU A 19 8.951 10.226 -7.424 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.885 8.125 -8.135 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.529 8.514 -6.435 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.295 8.788 -7.688 1.00 1.56 H new ATOM 0 HD21 LEU A 19 8.247 9.908 -9.775 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.682 10.667 -9.399 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.182 11.618 -9.288 1.00 1.84 H new ATOM 332 N PRO A 20 7.739 13.505 -4.427 1.00 0.54 N ATOM 333 CA PRO A 20 7.358 14.633 -3.555 1.00 0.67 C ATOM 334 C PRO A 20 6.247 15.511 -4.124 1.00 0.68 C ATOM 335 O PRO A 20 6.037 16.639 -3.672 1.00 0.84 O ATOM 336 CB PRO A 20 8.631 15.471 -3.494 1.00 0.89 C ATOM 337 CG PRO A 20 9.709 14.632 -4.099 1.00 0.96 C ATOM 338 CD PRO A 20 9.021 13.749 -5.088 1.00 0.70 C ATOM 0 HA PRO A 20 6.982 14.261 -2.602 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.510 16.405 -4.043 1.00 0.89 H new ATOM 0 HB3 PRO A 20 8.874 15.736 -2.465 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.463 15.252 -4.584 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.222 14.044 -3.338 1.00 0.96 H new ATOM 0 HD2 PRO A 20 8.897 14.237 -6.055 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.572 12.826 -5.265 1.00 0.70 H new ATOM 346 N ASP A 21 5.551 14.999 -5.114 1.00 0.62 N ATOM 347 CA ASP A 21 4.493 15.762 -5.776 1.00 0.78 C ATOM 348 C ASP A 21 3.102 15.213 -5.479 1.00 0.75 C ATOM 349 O ASP A 21 2.102 15.773 -5.930 1.00 0.99 O ATOM 350 CB ASP A 21 4.720 15.805 -7.285 1.00 0.94 C ATOM 351 CG ASP A 21 5.782 16.809 -7.673 1.00 1.51 C ATOM 352 OD1 ASP A 21 5.436 17.992 -7.880 1.00 1.71 O ATOM 353 OD2 ASP A 21 6.966 16.426 -7.768 1.00 2.30 O ATOM 0 H ASP A 21 5.691 14.059 -5.485 1.00 0.62 H new ATOM 0 HA ASP A 21 4.541 16.773 -5.372 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.013 14.815 -7.635 1.00 0.94 H new ATOM 0 HB3 ASP A 21 3.784 16.056 -7.785 1.00 0.94 H new ATOM 358 N GLY A 22 3.030 14.137 -4.718 1.00 0.59 N ATOM 359 CA GLY A 22 1.738 13.566 -4.384 1.00 0.72 C ATOM 360 C GLY A 22 1.514 12.219 -5.039 1.00 0.61 C ATOM 361 O GLY A 22 0.434 11.949 -5.565 1.00 0.81 O ATOM 0 H GLY A 22 3.834 13.648 -4.325 1.00 0.59 H new ATOM 0 HA2 GLY A 22 1.661 13.458 -3.302 1.00 0.72 H new ATOM 0 HA3 GLY A 22 0.950 14.253 -4.693 1.00 0.72 H new ATOM 365 N THR A 23 2.529 11.369 -5.007 1.00 0.43 N ATOM 366 CA THR A 23 2.448 10.071 -5.630 1.00 0.39 C ATOM 367 C THR A 23 3.263 9.031 -4.899 1.00 0.40 C ATOM 368 O THR A 23 4.416 9.266 -4.539 1.00 0.46 O ATOM 369 CB THR A 23 2.983 10.109 -7.060 1.00 0.44 C ATOM 370 OG1 THR A 23 3.674 11.348 -7.296 1.00 0.49 O ATOM 371 CG2 THR A 23 1.858 9.947 -8.064 1.00 0.59 C ATOM 0 H THR A 23 3.421 11.563 -4.551 1.00 0.43 H new ATOM 0 HA THR A 23 1.391 9.807 -5.607 1.00 0.39 H new ATOM 0 HB THR A 23 3.678 9.279 -7.185 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.015 11.363 -8.215 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.265 9.978 -9.075 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.361 8.991 -7.902 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.139 10.756 -7.938 1.00 0.59 H new ATOM 379 N VAL A 24 2.645 7.898 -4.655 1.00 0.47 N ATOM 380 CA VAL A 24 3.398 6.681 -4.464 1.00 0.56 C ATOM 381 C VAL A 24 2.986 5.666 -5.547 1.00 0.42 C ATOM 382 O VAL A 24 1.879 5.126 -5.557 1.00 0.50 O ATOM 383 CB VAL A 24 3.215 6.111 -3.045 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.783 5.685 -2.827 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.179 4.962 -2.790 1.00 1.61 C ATOM 0 H VAL A 24 1.633 7.794 -4.585 1.00 0.47 H new ATOM 0 HA VAL A 24 4.461 6.899 -4.565 1.00 0.56 H new ATOM 0 HB VAL A 24 3.446 6.898 -2.327 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.672 5.285 -1.819 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.125 6.545 -2.951 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.517 4.917 -3.554 1.00 0.97 H new ATOM 0 HG21 VAL A 24 4.029 4.578 -1.781 1.00 1.61 H new ATOM 0 HG22 VAL A 24 3.996 4.166 -3.512 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.204 5.317 -2.894 1.00 1.61 H new ATOM 395 N ASP A 25 3.864 5.488 -6.504 1.00 0.37 N ATOM 396 CA ASP A 25 3.630 4.588 -7.637 1.00 0.37 C ATOM 397 C ASP A 25 4.797 3.646 -7.832 1.00 0.39 C ATOM 398 O ASP A 25 5.908 3.938 -7.393 1.00 0.43 O ATOM 399 CB ASP A 25 3.370 5.386 -8.916 1.00 0.48 C ATOM 400 CG ASP A 25 4.551 6.249 -9.324 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.439 5.746 -10.037 1.00 1.10 O ATOM 402 OD2 ASP A 25 4.604 7.429 -8.915 1.00 1.16 O ATOM 0 H ASP A 25 4.768 5.959 -6.531 1.00 0.37 H new ATOM 0 HA ASP A 25 2.745 3.992 -7.414 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.133 4.697 -9.726 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.496 6.020 -8.771 1.00 0.48 H new ATOM 407 N GLY A 26 4.556 2.504 -8.479 1.00 0.38 N ATOM 408 CA GLY A 26 5.626 1.553 -8.605 1.00 0.40 C ATOM 409 C GLY A 26 6.553 1.773 -9.775 1.00 0.42 C ATOM 410 O GLY A 26 6.157 2.049 -10.904 1.00 0.52 O ATOM 0 H GLY A 26 3.667 2.236 -8.901 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.215 1.571 -7.688 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.195 0.555 -8.687 1.00 0.40 H new ATOM 414 N THR A 27 7.801 1.607 -9.440 1.00 0.42 N ATOM 415 CA THR A 27 8.933 1.629 -10.332 1.00 0.50 C ATOM 416 C THR A 27 9.908 0.636 -9.761 1.00 0.54 C ATOM 417 O THR A 27 9.981 0.533 -8.535 1.00 0.56 O ATOM 418 CB THR A 27 9.549 3.032 -10.372 1.00 0.57 C ATOM 419 OG1 THR A 27 8.637 3.946 -10.996 1.00 0.67 O ATOM 420 CG2 THR A 27 10.872 3.034 -11.107 1.00 0.70 C ATOM 0 H THR A 27 8.076 1.441 -8.472 1.00 0.42 H new ATOM 0 HA THR A 27 8.654 1.377 -11.355 1.00 0.50 H new ATOM 0 HB THR A 27 9.737 3.349 -9.346 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.035 4.841 -11.017 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.281 4.044 -11.117 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.569 2.365 -10.603 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.720 2.694 -12.131 1.00 0.70 H new ATOM 428 N ARG A 28 10.647 -0.125 -10.544 1.00 0.64 N ATOM 429 CA ARG A 28 11.470 -1.075 -9.853 1.00 0.71 C ATOM 430 C ARG A 28 12.864 -0.545 -9.643 1.00 0.65 C ATOM 431 O ARG A 28 13.662 -0.408 -10.568 1.00 0.72 O ATOM 432 CB ARG A 28 11.503 -2.430 -10.563 1.00 0.91 C ATOM 433 CG ARG A 28 11.928 -2.383 -12.019 1.00 1.56 C ATOM 434 CD ARG A 28 11.989 -3.783 -12.601 1.00 1.84 C ATOM 435 NE ARG A 28 12.263 -3.783 -14.035 1.00 2.32 N ATOM 436 CZ ARG A 28 12.052 -4.834 -14.825 1.00 2.92 C ATOM 437 NH1 ARG A 28 11.578 -5.963 -14.309 1.00 3.18 N ATOM 438 NH2 ARG A 28 12.312 -4.757 -16.123 1.00 3.76 N ATOM 0 H ARG A 28 10.693 -0.109 -11.563 1.00 0.64 H new ATOM 0 HA ARG A 28 11.017 -1.231 -8.874 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.183 -3.089 -10.023 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.511 -2.878 -10.504 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.225 -1.776 -12.590 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.904 -1.905 -12.104 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.763 -4.353 -12.087 1.00 1.84 H new ATOM 0 HD3 ARG A 28 11.043 -4.291 -12.416 1.00 1.84 H new ATOM 0 HE ARG A 28 12.636 -2.932 -14.455 1.00 2.32 H new ATOM 0 HH11 ARG A 28 11.377 -6.023 -13.311 1.00 3.18 H new ATOM 0 HH12 ARG A 28 11.415 -6.770 -14.911 1.00 3.18 H new ATOM 0 HH21 ARG A 28 12.675 -3.890 -16.520 1.00 3.76 H new ATOM 0 HH22 ARG A 28 12.149 -5.564 -16.725 1.00 3.76 H new ATOM 452 N ASP A 29 13.116 -0.240 -8.387 1.00 0.68 N ATOM 453 CA ASP A 29 14.453 -0.216 -7.824 1.00 0.69 C ATOM 454 C ASP A 29 14.382 -0.651 -6.371 1.00 0.81 C ATOM 455 O ASP A 29 14.030 0.143 -5.499 1.00 1.48 O ATOM 456 CB ASP A 29 15.063 1.191 -7.870 1.00 1.04 C ATOM 457 CG ASP A 29 15.429 1.655 -9.266 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.485 1.222 -9.780 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.682 2.469 -9.848 1.00 2.20 O ATOM 0 H ASP A 29 12.387 0.002 -7.716 1.00 0.68 H new ATOM 0 HA ASP A 29 15.077 -0.888 -8.413 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.355 1.898 -7.436 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.956 1.210 -7.245 1.00 1.04 H new ATOM 464 N ARG A 30 14.831 -1.845 -6.072 1.00 0.62 N ATOM 465 CA ARG A 30 14.913 -2.259 -4.685 1.00 0.91 C ATOM 466 C ARG A 30 16.350 -2.103 -4.233 1.00 1.03 C ATOM 467 O ARG A 30 16.720 -2.345 -3.085 1.00 1.18 O ATOM 468 CB ARG A 30 14.315 -3.663 -4.521 1.00 1.63 C ATOM 469 CG ARG A 30 15.060 -4.632 -3.609 1.00 2.20 C ATOM 470 CD ARG A 30 14.725 -4.407 -2.145 1.00 2.58 C ATOM 471 NE ARG A 30 15.077 -5.560 -1.323 1.00 3.27 N ATOM 472 CZ ARG A 30 14.306 -6.036 -0.352 1.00 3.80 C ATOM 473 NH1 ARG A 30 13.164 -5.427 -0.055 1.00 3.96 N ATOM 474 NH2 ARG A 30 14.670 -7.121 0.320 1.00 4.57 N ATOM 0 H ARG A 30 15.141 -2.539 -6.752 1.00 0.62 H new ATOM 0 HA ARG A 30 14.313 -1.631 -4.027 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.298 -3.556 -4.143 1.00 1.63 H new ATOM 0 HB3 ARG A 30 14.241 -4.117 -5.509 1.00 1.63 H new ATOM 0 HG2 ARG A 30 14.808 -5.656 -3.885 1.00 2.20 H new ATOM 0 HG3 ARG A 30 16.134 -4.517 -3.757 1.00 2.20 H new ATOM 0 HD2 ARG A 30 15.256 -3.527 -1.782 1.00 2.58 H new ATOM 0 HD3 ARG A 30 13.659 -4.201 -2.044 1.00 2.58 H new ATOM 0 HE ARG A 30 15.966 -6.027 -1.504 1.00 3.27 H new ATOM 0 HH11 ARG A 30 12.880 -4.595 -0.572 1.00 3.96 H new ATOM 0 HH12 ARG A 30 12.571 -5.791 0.690 1.00 3.96 H new ATOM 0 HH21 ARG A 30 15.545 -7.593 0.092 1.00 4.57 H new ATOM 0 HH22 ARG A 30 14.075 -7.483 1.065 1.00 4.57 H new ATOM 488 N SER A 31 17.142 -1.620 -5.169 1.00 1.72 N ATOM 489 CA SER A 31 18.462 -1.132 -4.881 1.00 2.60 C ATOM 490 C SER A 31 18.389 0.338 -4.478 1.00 2.41 C ATOM 491 O SER A 31 19.400 0.942 -4.122 1.00 2.90 O ATOM 492 CB SER A 31 19.353 -1.318 -6.107 1.00 3.49 C ATOM 493 OG SER A 31 18.635 -1.050 -7.304 1.00 4.00 O ATOM 0 H SER A 31 16.881 -1.558 -6.153 1.00 1.72 H new ATOM 0 HA SER A 31 18.892 -1.695 -4.052 1.00 2.60 H new ATOM 0 HB2 SER A 31 20.214 -0.654 -6.039 1.00 3.49 H new ATOM 0 HB3 SER A 31 19.738 -2.338 -6.130 1.00 3.49 H new ATOM 0 HG SER A 31 19.227 -1.174 -8.075 1.00 4.00 H new ATOM 499 N ASP A 32 17.182 0.919 -4.519 1.00 1.76 N ATOM 500 CA ASP A 32 17.013 2.295 -4.152 1.00 1.59 C ATOM 501 C ASP A 32 16.490 2.344 -2.727 1.00 1.18 C ATOM 502 O ASP A 32 16.297 1.309 -2.090 1.00 1.25 O ATOM 503 CB ASP A 32 16.022 2.941 -5.134 1.00 1.59 C ATOM 504 CG ASP A 32 15.833 4.427 -4.924 1.00 1.92 C ATOM 505 OD1 ASP A 32 16.801 5.185 -5.127 1.00 2.08 O ATOM 506 OD2 ASP A 32 14.711 4.838 -4.557 1.00 2.37 O ATOM 0 H ASP A 32 16.325 0.445 -4.803 1.00 1.76 H new ATOM 0 HA ASP A 32 17.954 2.843 -4.199 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.370 2.769 -6.152 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.056 2.445 -5.040 1.00 1.59 H new ATOM 511 N GLN A 33 16.241 3.529 -2.244 1.00 1.02 N ATOM 512 CA GLN A 33 15.849 3.720 -0.869 1.00 0.76 C ATOM 513 C GLN A 33 14.398 4.148 -0.715 1.00 0.55 C ATOM 514 O GLN A 33 14.001 4.532 0.372 1.00 0.72 O ATOM 515 CB GLN A 33 16.788 4.737 -0.255 1.00 1.03 C ATOM 516 CG GLN A 33 17.871 4.116 0.611 1.00 1.73 C ATOM 517 CD GLN A 33 18.844 5.143 1.158 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.095 6.173 0.530 1.00 2.42 O ATOM 519 NE2 GLN A 33 19.405 4.866 2.324 1.00 2.92 N ATOM 0 H GLN A 33 16.303 4.390 -2.788 1.00 1.02 H new ATOM 0 HA GLN A 33 15.922 2.765 -0.349 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.257 5.314 -1.052 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.209 5.437 0.347 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.406 3.584 1.441 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.419 3.378 0.026 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.169 4.001 2.811 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.073 5.517 2.736 1.00 2.92 H new ATOM 528 N HIS A 34 13.613 4.097 -1.792 1.00 0.44 N ATOM 529 CA HIS A 34 12.273 4.695 -1.771 1.00 0.36 C ATOM 530 C HIS A 34 11.136 3.683 -1.599 1.00 0.32 C ATOM 531 O HIS A 34 9.979 4.092 -1.487 1.00 0.37 O ATOM 532 CB HIS A 34 12.028 5.539 -3.027 1.00 0.57 C ATOM 533 CG HIS A 34 12.670 6.896 -2.978 1.00 0.85 C ATOM 534 ND1 HIS A 34 11.983 8.069 -3.224 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.947 7.263 -2.713 1.00 1.29 C ATOM 536 CE1 HIS A 34 12.812 9.091 -3.109 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.006 8.629 -2.801 1.00 1.34 N ATOM 0 H HIS A 34 13.873 3.657 -2.675 1.00 0.44 H new ATOM 0 HA HIS A 34 12.259 5.330 -0.885 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.405 5.000 -3.896 1.00 0.57 H new ATOM 0 HB3 HIS A 34 10.954 5.660 -3.169 1.00 0.57 H new ATOM 0 HD1 HIS A 34 10.992 8.135 -3.458 1.00 1.54 H new ATOM 0 HD2 HIS A 34 14.767 6.601 -2.476 1.00 1.29 H new ATOM 0 HE1 HIS A 34 12.554 10.131 -3.245 1.00 1.61 H new ATOM 546 N ILE A 35 11.441 2.385 -1.604 1.00 0.38 N ATOM 547 CA ILE A 35 10.405 1.350 -1.531 1.00 0.45 C ATOM 548 C ILE A 35 9.993 0.920 -0.102 1.00 0.46 C ATOM 549 O ILE A 35 9.281 -0.075 0.039 1.00 0.63 O ATOM 550 CB ILE A 35 10.916 0.093 -2.236 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.202 -0.361 -1.548 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.165 0.371 -3.709 1.00 1.51 C ATOM 553 CD1 ILE A 35 12.519 -1.813 -1.753 1.00 2.04 C ATOM 0 H ILE A 35 12.394 2.024 -1.658 1.00 0.38 H new ATOM 0 HA ILE A 35 9.527 1.796 -1.998 1.00 0.45 H new ATOM 0 HB ILE A 35 10.167 -0.696 -2.171 1.00 0.63 H new ATOM 0 HG12 ILE A 35 13.033 0.239 -1.920 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.120 -0.164 -0.479 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.528 -0.535 -4.194 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.235 0.688 -4.182 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.910 1.160 -3.809 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.446 -2.060 -1.235 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.707 -2.422 -1.355 1.00 2.04 H new ATOM 0 HD13 ILE A 35 12.635 -2.013 -2.818 1.00 2.04 H new ATOM 565 N GLN A 36 10.417 1.619 0.950 1.00 0.38 N ATOM 566 CA GLN A 36 10.293 1.043 2.298 1.00 0.37 C ATOM 567 C GLN A 36 9.216 1.706 3.177 1.00 0.35 C ATOM 568 O GLN A 36 9.462 2.713 3.845 1.00 0.35 O ATOM 569 CB GLN A 36 11.658 1.125 2.988 1.00 0.43 C ATOM 570 CG GLN A 36 12.155 2.549 3.218 1.00 0.52 C ATOM 571 CD GLN A 36 13.646 2.686 2.986 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.306 3.508 3.615 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.186 1.884 2.080 1.00 1.29 N ATOM 0 H GLN A 36 10.834 2.549 0.907 1.00 0.38 H new ATOM 0 HA GLN A 36 9.967 0.010 2.174 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.599 0.613 3.948 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.391 0.589 2.385 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.623 3.228 2.552 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.920 2.853 4.238 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.602 1.214 1.579 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.186 1.936 1.884 1.00 1.29 H new ATOM 582 N LEU A 37 8.057 1.069 3.276 1.00 0.36 N ATOM 583 CA LEU A 37 6.975 1.595 4.100 1.00 0.35 C ATOM 584 C LEU A 37 6.684 0.697 5.282 1.00 0.37 C ATOM 585 O LEU A 37 6.603 -0.516 5.159 1.00 0.48 O ATOM 586 CB LEU A 37 5.700 1.829 3.289 1.00 0.38 C ATOM 587 CG LEU A 37 5.479 0.915 2.077 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.891 -0.423 2.498 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.577 1.595 1.061 1.00 0.94 C ATOM 0 H LEU A 37 7.842 0.193 2.800 1.00 0.36 H new ATOM 0 HA LEU A 37 7.317 2.559 4.478 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.846 1.720 3.958 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.703 2.862 2.941 1.00 0.38 H new ATOM 0 HG LEU A 37 6.448 0.725 1.616 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.745 -1.050 1.618 1.00 0.94 H new ATOM 0 HD12 LEU A 37 5.573 -0.919 3.188 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.932 -0.260 2.990 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.429 0.935 0.206 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.613 1.816 1.520 1.00 0.94 H new ATOM 0 HD23 LEU A 37 5.041 2.523 0.726 1.00 0.94 H new ATOM 601 N GLN A 38 6.479 1.306 6.424 1.00 0.34 N ATOM 602 CA GLN A 38 6.314 0.552 7.642 1.00 0.39 C ATOM 603 C GLN A 38 4.830 0.294 7.849 1.00 0.40 C ATOM 604 O GLN A 38 4.068 1.206 8.168 1.00 0.41 O ATOM 605 CB GLN A 38 6.932 1.321 8.818 1.00 0.45 C ATOM 606 CG GLN A 38 7.303 0.441 10.008 1.00 0.93 C ATOM 607 CD GLN A 38 6.121 0.047 10.879 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.139 0.926 10.991 1.00 2.05 O flip ATOM 609 NE2 GLN A 38 6.101 -1.035 11.463 1.00 2.12 N flip ATOM 0 H GLN A 38 6.423 2.318 6.536 1.00 0.34 H new ATOM 0 HA GLN A 38 6.829 -0.406 7.577 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.825 1.840 8.470 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.228 2.085 9.149 1.00 0.45 H new ATOM 0 HG2 GLN A 38 7.788 -0.464 9.641 1.00 0.93 H new ATOM 0 HG3 GLN A 38 8.034 0.967 10.622 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.877 -1.688 11.353 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.309 -1.279 12.057 1.00 2.12 H new ATOM 618 N LEU A 39 4.428 -0.949 7.633 1.00 0.43 N ATOM 619 CA LEU A 39 3.023 -1.320 7.660 1.00 0.46 C ATOM 620 C LEU A 39 2.723 -2.213 8.853 1.00 0.55 C ATOM 621 O LEU A 39 2.999 -3.411 8.832 1.00 0.77 O ATOM 622 CB LEU A 39 2.639 -2.030 6.355 1.00 0.61 C ATOM 623 CG LEU A 39 1.761 -1.217 5.403 1.00 1.05 C ATOM 624 CD1 LEU A 39 0.416 -0.927 6.044 1.00 1.75 C ATOM 625 CD2 LEU A 39 2.454 0.076 5.008 1.00 1.45 C ATOM 0 H LEU A 39 5.062 -1.723 7.435 1.00 0.43 H new ATOM 0 HA LEU A 39 2.429 -0.411 7.756 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.553 -2.310 5.831 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.118 -2.955 6.603 1.00 0.61 H new ATOM 0 HG LEU A 39 1.595 -1.804 4.500 1.00 1.05 H new ATOM 0 HD11 LEU A 39 -0.198 -0.348 5.355 1.00 1.75 H new ATOM 0 HD12 LEU A 39 -0.086 -1.866 6.276 1.00 1.75 H new ATOM 0 HD13 LEU A 39 0.565 -0.359 6.962 1.00 1.75 H new ATOM 0 HD21 LEU A 39 1.813 0.640 4.330 1.00 1.45 H new ATOM 0 HD22 LEU A 39 2.651 0.670 5.900 1.00 1.45 H new ATOM 0 HD23 LEU A 39 3.396 -0.154 4.510 1.00 1.45 H new ATOM 637 N SER A 40 2.171 -1.617 9.891 1.00 0.46 N ATOM 638 CA SER A 40 1.819 -2.347 11.089 1.00 0.56 C ATOM 639 C SER A 40 0.303 -2.468 11.190 1.00 0.42 C ATOM 640 O SER A 40 -0.427 -1.797 10.463 1.00 0.37 O ATOM 641 CB SER A 40 2.385 -1.623 12.312 1.00 0.71 C ATOM 642 OG SER A 40 2.138 -2.338 13.512 1.00 1.38 O ATOM 0 H SER A 40 1.956 -0.621 9.927 1.00 0.46 H new ATOM 0 HA SER A 40 2.244 -3.350 11.047 1.00 0.56 H new ATOM 0 HB2 SER A 40 3.459 -1.484 12.187 1.00 0.71 H new ATOM 0 HB3 SER A 40 1.941 -0.630 12.383 1.00 0.71 H new ATOM 0 HG SER A 40 1.362 -1.952 13.969 1.00 1.38 H new ATOM 648 N ALA A 41 -0.165 -3.297 12.102 1.00 0.56 N ATOM 649 CA ALA A 41 -1.589 -3.400 12.358 1.00 0.56 C ATOM 650 C ALA A 41 -1.847 -2.832 13.737 1.00 0.64 C ATOM 651 O ALA A 41 -1.668 -3.514 14.750 1.00 0.84 O ATOM 652 CB ALA A 41 -2.060 -4.853 12.269 1.00 0.89 C ATOM 0 H ALA A 41 0.417 -3.907 12.676 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.148 -2.841 11.607 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.131 -4.901 12.465 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.856 -5.241 11.271 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.529 -5.454 13.007 1.00 0.89 H new ATOM 658 N GLU A 42 -2.271 -1.569 13.766 1.00 0.92 N ATOM 659 CA GLU A 42 -2.249 -0.791 14.996 1.00 1.34 C ATOM 660 C GLU A 42 -3.553 -0.894 15.751 1.00 1.34 C ATOM 661 O GLU A 42 -3.537 -1.058 16.970 1.00 1.64 O ATOM 662 CB GLU A 42 -1.882 0.669 14.704 1.00 1.88 C ATOM 663 CG GLU A 42 -0.530 0.829 14.022 1.00 2.46 C ATOM 664 CD GLU A 42 0.619 0.359 14.889 1.00 2.62 C ATOM 665 OE1 GLU A 42 0.731 -0.857 15.125 1.00 2.70 O ATOM 666 OE2 GLU A 42 1.421 1.201 15.341 1.00 3.12 O ATOM 0 H GLU A 42 -2.632 -1.068 12.954 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.478 -1.212 15.642 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -2.653 1.110 14.073 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -1.877 1.228 15.639 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.529 0.267 13.088 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.380 1.877 13.763 1.00 2.46 H new ATOM 673 N SER A 43 -4.676 -0.817 15.053 1.00 1.09 N ATOM 674 CA SER A 43 -5.960 -1.013 15.696 1.00 1.14 C ATOM 675 C SER A 43 -6.512 -2.362 15.275 1.00 1.00 C ATOM 676 O SER A 43 -5.892 -3.037 14.451 1.00 1.09 O ATOM 677 CB SER A 43 -6.911 0.123 15.337 1.00 1.24 C ATOM 678 OG SER A 43 -6.370 1.374 15.727 1.00 1.59 O ATOM 0 H SER A 43 -4.722 -0.622 14.053 1.00 1.09 H new ATOM 0 HA SER A 43 -5.845 -1.003 16.780 1.00 1.14 H new ATOM 0 HB2 SER A 43 -7.098 0.121 14.263 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.872 -0.032 15.828 1.00 1.24 H new ATOM 0 HG SER A 43 -6.995 2.090 15.486 1.00 1.59 H new ATOM 684 N VAL A 44 -7.634 -2.778 15.836 1.00 0.92 N ATOM 685 CA VAL A 44 -8.157 -4.099 15.529 1.00 0.91 C ATOM 686 C VAL A 44 -8.509 -4.227 14.043 1.00 0.77 C ATOM 687 O VAL A 44 -9.375 -3.523 13.523 1.00 0.79 O ATOM 688 CB VAL A 44 -9.381 -4.436 16.420 1.00 1.07 C ATOM 689 CG1 VAL A 44 -10.461 -3.368 16.326 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.954 -5.796 16.068 1.00 1.83 C ATOM 0 H VAL A 44 -8.192 -2.233 16.494 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.372 -4.823 15.748 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.027 -4.463 17.451 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -11.300 -3.642 16.965 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -10.055 -2.410 16.652 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.802 -3.285 15.294 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.811 -6.007 16.708 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -10.271 -5.798 15.025 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -9.193 -6.561 16.218 1.00 1.83 H new ATOM 700 N GLY A 45 -7.793 -5.108 13.355 1.00 0.73 N ATOM 701 CA GLY A 45 -8.095 -5.411 11.973 1.00 0.67 C ATOM 702 C GLY A 45 -7.476 -4.428 10.998 1.00 0.54 C ATOM 703 O GLY A 45 -7.296 -4.745 9.821 1.00 0.56 O ATOM 0 H GLY A 45 -7.000 -5.622 13.737 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.740 -6.415 11.742 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.176 -5.416 11.837 1.00 0.67 H new ATOM 707 N GLU A 46 -7.141 -3.234 11.474 1.00 0.56 N ATOM 708 CA GLU A 46 -6.692 -2.182 10.586 1.00 0.50 C ATOM 709 C GLU A 46 -5.184 -1.970 10.610 1.00 0.40 C ATOM 710 O GLU A 46 -4.518 -2.165 11.626 1.00 0.48 O ATOM 711 CB GLU A 46 -7.452 -0.884 10.859 1.00 0.75 C ATOM 712 CG GLU A 46 -7.733 -0.629 12.323 1.00 1.02 C ATOM 713 CD GLU A 46 -8.949 0.252 12.535 1.00 1.35 C ATOM 714 OE1 GLU A 46 -10.078 -0.272 12.564 1.00 1.80 O ATOM 715 OE2 GLU A 46 -8.777 1.481 12.669 1.00 1.67 O ATOM 0 H GLU A 46 -7.173 -2.977 12.461 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.922 -2.511 9.572 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.877 -0.048 10.459 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.398 -0.909 10.317 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.885 -1.581 12.832 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.863 -0.158 12.780 1.00 1.02 H new ATOM 722 N VAL A 47 -4.661 -1.583 9.454 1.00 0.33 N ATOM 723 CA VAL A 47 -3.233 -1.365 9.258 1.00 0.33 C ATOM 724 C VAL A 47 -2.930 0.104 9.008 1.00 0.33 C ATOM 725 O VAL A 47 -3.709 0.810 8.370 1.00 0.36 O ATOM 726 CB VAL A 47 -2.650 -2.194 8.098 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.783 -3.681 8.381 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.312 -1.837 6.774 1.00 0.48 C ATOM 0 H VAL A 47 -5.220 -1.410 8.619 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.759 -1.694 10.183 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.590 -1.952 8.016 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.365 -4.248 7.549 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.243 -3.927 9.296 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.836 -3.936 8.501 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -2.878 -2.440 5.976 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.382 -2.035 6.837 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.150 -0.781 6.560 1.00 0.48 H new ATOM 738 N TYR A 48 -1.799 0.560 9.521 1.00 0.34 N ATOM 739 CA TYR A 48 -1.434 1.966 9.426 1.00 0.36 C ATOM 740 C TYR A 48 -0.150 2.096 8.615 1.00 0.38 C ATOM 741 O TYR A 48 0.832 1.389 8.867 1.00 0.39 O ATOM 742 CB TYR A 48 -1.241 2.561 10.827 1.00 0.41 C ATOM 743 CG TYR A 48 -1.363 4.073 10.892 1.00 0.55 C ATOM 744 CD1 TYR A 48 -0.257 4.899 10.711 1.00 0.91 C ATOM 745 CD2 TYR A 48 -2.588 4.674 11.151 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.374 6.279 10.787 1.00 1.00 C ATOM 747 CE2 TYR A 48 -2.712 6.050 11.224 1.00 1.79 C ATOM 748 CZ TYR A 48 -1.603 6.847 11.043 1.00 1.23 C ATOM 749 OH TYR A 48 -1.725 8.217 11.127 1.00 1.60 O ATOM 0 H TYR A 48 -1.117 -0.022 10.008 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.234 2.515 8.929 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.977 2.121 11.499 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.258 2.272 11.198 1.00 0.41 H new ATOM 0 HD1 TYR A 48 0.708 4.458 10.508 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -3.461 4.055 11.298 1.00 1.47 H new ATOM 0 HE1 TYR A 48 0.494 6.906 10.646 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -3.675 6.498 11.422 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.055 8.641 10.551 1.00 1.60 H new ATOM 759 N ILE A 49 -0.174 2.994 7.639 1.00 0.42 N ATOM 760 CA ILE A 49 0.918 3.135 6.691 1.00 0.44 C ATOM 761 C ILE A 49 1.842 4.266 7.104 1.00 0.42 C ATOM 762 O ILE A 49 1.444 5.430 7.151 1.00 0.52 O ATOM 763 CB ILE A 49 0.399 3.397 5.261 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.504 2.244 4.809 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.562 3.582 4.293 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.010 2.385 3.392 1.00 1.20 C ATOM 0 H ILE A 49 -0.947 3.641 7.484 1.00 0.42 H new ATOM 0 HA ILE A 49 1.469 2.194 6.693 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.187 4.316 5.265 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.047 1.308 4.897 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.357 2.177 5.484 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.175 3.766 3.291 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.167 4.431 4.610 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.176 2.681 4.286 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.642 1.532 3.145 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.590 3.304 3.302 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.164 2.421 2.706 1.00 1.20 H new ATOM 778 N LYS A 50 3.071 3.908 7.418 1.00 0.36 N ATOM 779 CA LYS A 50 4.047 4.860 7.901 1.00 0.37 C ATOM 780 C LYS A 50 5.279 4.863 7.011 1.00 0.35 C ATOM 781 O LYS A 50 5.611 3.859 6.385 1.00 0.36 O ATOM 782 CB LYS A 50 4.439 4.526 9.343 1.00 0.44 C ATOM 783 CG LYS A 50 3.261 4.513 10.307 1.00 0.93 C ATOM 784 CD LYS A 50 3.685 4.117 11.712 1.00 0.88 C ATOM 785 CE LYS A 50 4.665 5.115 12.302 1.00 1.35 C ATOM 786 NZ LYS A 50 5.099 4.735 13.672 1.00 1.86 N ATOM 0 H LYS A 50 3.419 2.952 7.345 1.00 0.36 H new ATOM 0 HA LYS A 50 3.601 5.854 7.876 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.924 3.550 9.362 1.00 0.44 H new ATOM 0 HB3 LYS A 50 5.173 5.254 9.689 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.800 5.501 10.331 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.504 3.817 9.946 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.806 4.048 12.352 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.142 3.127 11.690 1.00 0.88 H new ATOM 0 HE2 LYS A 50 5.538 5.190 11.654 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.203 6.102 12.330 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.767 5.445 14.034 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 4.270 4.688 14.298 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.564 3.805 13.643 1.00 1.86 H new ATOM 800 N SER A 51 5.949 5.995 6.949 1.00 0.40 N ATOM 801 CA SER A 51 7.206 6.090 6.263 1.00 0.39 C ATOM 802 C SER A 51 8.311 5.649 7.183 1.00 0.39 C ATOM 803 O SER A 51 8.352 6.021 8.355 1.00 0.48 O ATOM 804 CB SER A 51 7.474 7.545 5.877 1.00 0.48 C ATOM 805 OG SER A 51 6.398 8.097 5.158 1.00 1.10 O ATOM 0 H SER A 51 5.633 6.867 7.373 1.00 0.40 H new ATOM 0 HA SER A 51 7.170 5.461 5.374 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.651 8.134 6.777 1.00 0.48 H new ATOM 0 HB3 SER A 51 8.381 7.601 5.275 1.00 0.48 H new ATOM 0 HG SER A 51 6.667 8.959 4.778 1.00 1.10 H new ATOM 811 N THR A 52 9.192 4.832 6.652 1.00 0.35 N ATOM 812 CA THR A 52 10.435 4.587 7.304 1.00 0.41 C ATOM 813 C THR A 52 11.333 5.756 6.963 1.00 0.45 C ATOM 814 O THR A 52 11.215 6.817 7.575 1.00 0.53 O ATOM 815 CB THR A 52 11.045 3.247 6.880 1.00 0.43 C ATOM 816 OG1 THR A 52 10.071 2.215 7.073 1.00 0.62 O ATOM 817 CG2 THR A 52 12.286 2.934 7.695 1.00 0.77 C ATOM 0 H THR A 52 9.061 4.332 5.772 1.00 0.35 H new ATOM 0 HA THR A 52 10.301 4.508 8.383 1.00 0.41 H new ATOM 0 HB THR A 52 11.333 3.305 5.830 1.00 0.43 H new ATOM 0 HG1 THR A 52 10.346 1.640 7.818 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.700 1.978 7.375 1.00 0.77 H new ATOM 0 HG22 THR A 52 13.027 3.719 7.545 1.00 0.77 H new ATOM 0 HG23 THR A 52 12.023 2.880 8.752 1.00 0.77 H new ATOM 825 N GLU A 53 12.214 5.600 6.005 1.00 0.46 N ATOM 826 CA GLU A 53 12.997 6.746 5.581 1.00 0.53 C ATOM 827 C GLU A 53 12.249 7.516 4.484 1.00 0.44 C ATOM 828 O GLU A 53 12.052 8.727 4.574 1.00 0.47 O ATOM 829 CB GLU A 53 14.347 6.260 5.044 1.00 0.68 C ATOM 830 CG GLU A 53 15.406 7.341 4.929 1.00 1.43 C ATOM 831 CD GLU A 53 15.995 7.714 6.271 1.00 1.83 C ATOM 832 OE1 GLU A 53 16.994 7.088 6.681 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.471 8.635 6.921 1.00 2.11 O ATOM 0 H GLU A 53 12.407 4.726 5.516 1.00 0.46 H new ATOM 0 HA GLU A 53 13.157 7.411 6.430 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.721 5.471 5.697 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.193 5.814 4.061 1.00 0.68 H new ATOM 0 HG2 GLU A 53 16.202 6.998 4.268 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.969 8.227 4.468 1.00 1.43 H new ATOM 840 N THR A 54 11.818 6.784 3.461 1.00 0.36 N ATOM 841 CA THR A 54 11.020 7.328 2.361 1.00 0.30 C ATOM 842 C THR A 54 9.625 6.720 2.267 1.00 0.31 C ATOM 843 O THR A 54 9.028 6.765 1.199 1.00 0.38 O ATOM 844 CB THR A 54 11.708 7.082 1.021 1.00 0.40 C ATOM 845 OG1 THR A 54 11.698 5.682 0.766 1.00 1.13 O ATOM 846 CG2 THR A 54 13.138 7.606 1.026 1.00 0.93 C ATOM 0 H THR A 54 12.013 5.787 3.369 1.00 0.36 H new ATOM 0 HA THR A 54 10.927 8.393 2.576 1.00 0.30 H new ATOM 0 HB THR A 54 11.171 7.616 0.237 1.00 0.40 H new ATOM 0 HG1 THR A 54 12.572 5.302 0.994 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.599 7.415 0.057 1.00 0.93 H new ATOM 0 HG22 THR A 54 13.132 8.679 1.219 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.708 7.100 1.805 1.00 0.93 H new ATOM 854 N GLY A 55 9.091 6.129 3.317 1.00 0.33 N ATOM 855 CA GLY A 55 8.283 4.957 3.046 1.00 0.40 C ATOM 856 C GLY A 55 6.828 5.158 2.713 1.00 0.46 C ATOM 857 O GLY A 55 6.294 4.299 2.030 1.00 0.56 O ATOM 0 H GLY A 55 9.188 6.411 4.293 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.743 4.420 2.217 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.338 4.305 3.918 1.00 0.40 H new ATOM 861 N GLN A 56 6.223 6.282 3.093 1.00 0.43 N ATOM 862 CA GLN A 56 4.932 6.716 2.524 1.00 0.54 C ATOM 863 C GLN A 56 4.171 7.635 3.457 1.00 0.56 C ATOM 864 O GLN A 56 3.890 7.310 4.611 1.00 0.63 O ATOM 865 CB GLN A 56 4.010 5.536 2.194 1.00 0.81 C ATOM 866 CG GLN A 56 2.699 5.941 1.562 1.00 0.91 C ATOM 867 CD GLN A 56 2.875 6.884 0.391 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.878 7.711 0.150 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 3.887 6.870 -0.287 1.00 1.06 N flip ATOM 0 H GLN A 56 6.602 6.917 3.796 1.00 0.43 H new ATOM 0 HA GLN A 56 5.198 7.247 1.610 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.532 4.857 1.520 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.805 4.981 3.109 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.172 5.048 1.226 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.071 6.418 2.314 1.00 0.91 H new ATOM 0 HE21 GLN A 56 4.638 6.215 -0.069 1.00 1.06 H new ATOM 0 HE22 GLN A 56 3.984 7.514 -1.072 1.00 1.06 H new ATOM 878 N TYR A 57 3.747 8.739 2.905 1.00 0.57 N ATOM 879 CA TYR A 57 2.939 9.683 3.616 1.00 0.62 C ATOM 880 C TYR A 57 1.542 9.618 3.036 1.00 0.59 C ATOM 881 O TYR A 57 1.038 10.581 2.473 1.00 0.67 O ATOM 882 CB TYR A 57 3.545 11.071 3.467 1.00 0.76 C ATOM 883 CG TYR A 57 4.944 11.189 4.035 1.00 1.77 C ATOM 884 CD1 TYR A 57 6.054 10.855 3.273 1.00 2.59 C ATOM 885 CD2 TYR A 57 5.151 11.635 5.335 1.00 2.17 C ATOM 886 CE1 TYR A 57 7.331 10.960 3.788 1.00 3.64 C ATOM 887 CE2 TYR A 57 6.423 11.743 5.858 1.00 3.20 C ATOM 888 CZ TYR A 57 7.512 11.407 5.075 1.00 3.91 C ATOM 889 OH TYR A 57 8.778 11.511 5.602 1.00 4.98 O ATOM 0 H TYR A 57 3.955 9.008 1.943 1.00 0.57 H new ATOM 0 HA TYR A 57 2.896 9.455 4.681 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.568 11.336 2.410 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.899 11.795 3.963 1.00 0.76 H new ATOM 0 HD1 TYR A 57 5.917 10.507 2.260 1.00 2.59 H new ATOM 0 HD2 TYR A 57 4.301 11.902 5.946 1.00 2.17 H new ATOM 0 HE1 TYR A 57 8.184 10.692 3.182 1.00 3.64 H new ATOM 0 HE2 TYR A 57 6.567 12.087 6.871 1.00 3.20 H new ATOM 0 HH TYR A 57 8.723 11.844 6.522 1.00 4.98 H new ATOM 899 N LEU A 58 0.929 8.455 3.169 1.00 0.55 N ATOM 900 CA LEU A 58 -0.283 8.150 2.419 1.00 0.58 C ATOM 901 C LEU A 58 -1.538 8.768 3.011 1.00 0.56 C ATOM 902 O LEU A 58 -1.710 8.866 4.227 1.00 0.72 O ATOM 903 CB LEU A 58 -0.467 6.640 2.286 1.00 0.70 C ATOM 904 CG LEU A 58 -0.759 6.171 0.859 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.435 4.695 0.699 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.212 6.424 0.488 1.00 1.85 C ATOM 0 H LEU A 58 1.246 7.707 3.786 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.144 8.599 1.435 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.434 6.142 2.644 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.284 6.326 2.935 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.123 6.746 0.186 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.650 4.384 -0.323 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.621 4.529 0.914 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.042 4.112 1.391 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.392 6.081 -0.531 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.862 5.881 1.174 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.424 7.491 0.555 1.00 1.85 H new ATOM 918 N ALA A 59 -2.393 9.198 2.100 1.00 0.47 N ATOM 919 CA ALA A 59 -3.688 9.755 2.412 1.00 0.46 C ATOM 920 C ALA A 59 -4.714 9.244 1.396 1.00 0.46 C ATOM 921 O ALA A 59 -4.513 9.366 0.186 1.00 0.51 O ATOM 922 CB ALA A 59 -3.620 11.276 2.398 1.00 0.54 C ATOM 0 H ALA A 59 -2.197 9.167 1.100 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.993 9.441 3.410 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.602 11.686 2.634 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.897 11.615 3.140 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.313 11.617 1.410 1.00 0.54 H new ATOM 928 N MET A 60 -5.790 8.647 1.873 1.00 0.48 N ATOM 929 CA MET A 60 -6.863 8.216 0.998 1.00 0.52 C ATOM 930 C MET A 60 -7.830 9.378 0.785 1.00 0.55 C ATOM 931 O MET A 60 -8.342 9.951 1.744 1.00 0.74 O ATOM 932 CB MET A 60 -7.570 6.995 1.612 1.00 0.66 C ATOM 933 CG MET A 60 -8.373 7.288 2.873 1.00 1.76 C ATOM 934 SD MET A 60 -8.993 5.790 3.667 1.00 2.80 S ATOM 935 CE MET A 60 -9.367 6.398 5.312 1.00 3.74 C ATOM 0 H MET A 60 -5.944 8.450 2.862 1.00 0.48 H new ATOM 0 HA MET A 60 -6.466 7.918 0.028 1.00 0.52 H new ATOM 0 HB2 MET A 60 -8.238 6.566 0.865 1.00 0.66 H new ATOM 0 HB3 MET A 60 -6.821 6.237 1.843 1.00 0.66 H new ATOM 0 HG2 MET A 60 -7.748 7.836 3.578 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.213 7.936 2.622 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.280 5.926 5.675 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.543 6.159 5.984 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.506 7.479 5.278 1.00 3.74 H new ATOM 945 N ASP A 61 -8.048 9.762 -0.468 1.00 0.51 N ATOM 946 CA ASP A 61 -8.891 10.915 -0.754 1.00 0.56 C ATOM 947 C ASP A 61 -10.145 10.507 -1.469 1.00 0.56 C ATOM 948 O ASP A 61 -10.113 9.902 -2.545 1.00 0.64 O ATOM 949 CB ASP A 61 -8.145 11.989 -1.531 1.00 0.71 C ATOM 950 CG ASP A 61 -9.062 12.933 -2.284 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.835 13.669 -1.636 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.037 12.919 -3.534 1.00 1.34 O ATOM 0 H ASP A 61 -7.659 9.300 -1.290 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.174 11.348 0.205 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.530 12.566 -0.840 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.467 11.511 -2.238 1.00 0.71 H new ATOM 957 N THR A 62 -11.249 10.777 -0.793 1.00 0.65 N ATOM 958 CA THR A 62 -12.572 10.383 -1.234 1.00 0.83 C ATOM 959 C THR A 62 -12.718 8.868 -1.077 1.00 0.87 C ATOM 960 O THR A 62 -13.818 8.326 -1.122 1.00 1.31 O ATOM 961 CB THR A 62 -12.817 10.815 -2.690 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.553 12.220 -2.830 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.242 10.527 -3.108 1.00 1.55 C ATOM 0 H THR A 62 -11.249 11.284 0.092 1.00 0.65 H new ATOM 0 HA THR A 62 -13.322 10.881 -0.619 1.00 0.83 H new ATOM 0 HB THR A 62 -12.145 10.246 -3.333 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.708 12.491 -3.759 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.389 10.842 -4.141 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.437 9.458 -3.023 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.928 11.073 -2.461 1.00 1.55 H new ATOM 971 N ASP A 63 -11.552 8.232 -0.910 1.00 0.78 N ATOM 972 CA ASP A 63 -11.387 6.816 -0.618 1.00 0.88 C ATOM 973 C ASP A 63 -11.250 6.084 -1.929 1.00 0.87 C ATOM 974 O ASP A 63 -11.164 4.863 -1.997 1.00 0.96 O ATOM 975 CB ASP A 63 -12.535 6.278 0.226 1.00 1.05 C ATOM 976 CG ASP A 63 -12.221 4.941 0.833 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.231 4.839 1.574 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.952 3.984 0.537 1.00 1.42 O ATOM 0 H ASP A 63 -10.659 8.721 -0.980 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.489 6.661 -0.021 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.764 6.990 1.019 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.428 6.192 -0.393 1.00 1.05 H new ATOM 983 N GLY A 64 -11.197 6.885 -2.980 1.00 0.82 N ATOM 984 CA GLY A 64 -11.141 6.352 -4.317 1.00 0.89 C ATOM 985 C GLY A 64 -9.729 6.300 -4.821 1.00 0.90 C ATOM 986 O GLY A 64 -9.252 5.262 -5.251 1.00 1.17 O ATOM 0 H GLY A 64 -11.192 7.904 -2.926 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.572 5.351 -4.331 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.745 6.968 -4.983 1.00 0.89 H new ATOM 990 N LEU A 65 -9.048 7.423 -4.761 1.00 0.72 N ATOM 991 CA LEU A 65 -7.663 7.457 -5.184 1.00 0.71 C ATOM 992 C LEU A 65 -6.798 7.707 -3.975 1.00 0.67 C ATOM 993 O LEU A 65 -7.109 8.560 -3.138 1.00 0.79 O ATOM 994 CB LEU A 65 -7.368 8.523 -6.247 1.00 0.74 C ATOM 995 CG LEU A 65 -8.160 8.442 -7.565 1.00 1.41 C ATOM 996 CD1 LEU A 65 -9.646 8.701 -7.362 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.593 9.432 -8.571 1.00 2.04 C ATOM 0 H LEU A 65 -9.422 8.312 -4.429 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.444 6.494 -5.645 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.550 9.502 -5.803 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.306 8.475 -6.488 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.056 7.426 -7.946 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -10.161 8.633 -8.320 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -10.054 7.958 -6.677 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -9.788 9.698 -6.944 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.158 9.369 -9.501 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -7.667 10.442 -8.169 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -6.547 9.195 -8.765 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.732 6.954 -3.867 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.873 7.059 -2.717 1.00 0.68 C ATOM 1011 C LEU A 66 -3.502 7.603 -3.090 1.00 0.63 C ATOM 1012 O LEU A 66 -2.708 6.972 -3.791 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.761 5.708 -1.992 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.977 4.418 -2.815 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -6.431 4.221 -3.251 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -4.045 4.326 -4.014 1.00 1.56 C ATOM 0 H LEU A 66 -5.440 6.264 -4.559 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.326 7.773 -2.029 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.770 5.653 -1.541 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.483 5.707 -1.176 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.728 3.604 -2.134 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -6.517 3.298 -3.825 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -7.070 4.161 -2.370 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.743 5.063 -3.869 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -4.240 3.401 -4.556 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -4.216 5.176 -4.674 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -3.010 4.335 -3.672 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.228 8.789 -2.609 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.956 9.420 -2.888 1.00 0.63 C ATOM 1030 C TYR A 67 -1.368 9.917 -1.593 1.00 0.70 C ATOM 1031 O TYR A 67 -2.103 10.322 -0.706 1.00 0.98 O ATOM 1032 CB TYR A 67 -2.111 10.568 -3.901 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.620 11.874 -3.317 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.977 12.092 -3.100 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.732 12.892 -2.994 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.430 13.291 -2.577 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.176 14.087 -2.470 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.523 14.284 -2.263 1.00 1.21 C ATOM 1039 OH TYR A 67 -3.963 15.483 -1.743 1.00 1.64 O ATOM 0 H TYR A 67 -3.861 9.337 -2.026 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.283 8.690 -3.338 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -1.145 10.750 -4.372 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.794 10.248 -4.688 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.687 11.315 -3.343 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.675 12.745 -3.156 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.486 13.449 -2.416 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.470 14.866 -2.223 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.195 16.069 -1.578 1.00 1.64 H new ATOM 1049 N GLY A 68 -0.064 9.966 -1.506 1.00 0.66 N ATOM 1050 CA GLY A 68 0.550 10.420 -0.290 1.00 0.80 C ATOM 1051 C GLY A 68 1.970 10.827 -0.508 1.00 0.81 C ATOM 1052 O GLY A 68 2.737 10.087 -1.125 1.00 0.85 O ATOM 0 H GLY A 68 0.582 9.702 -2.250 1.00 0.66 H new ATOM 0 HA2 GLY A 68 -0.013 11.263 0.109 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.509 9.627 0.457 1.00 0.80 H new ATOM 1056 N SER A 69 2.327 11.997 -0.037 1.00 0.91 N ATOM 1057 CA SER A 69 3.705 12.436 -0.172 1.00 1.08 C ATOM 1058 C SER A 69 4.187 13.325 0.971 1.00 1.38 C ATOM 1059 O SER A 69 5.275 13.128 1.506 1.00 1.62 O ATOM 1060 CB SER A 69 3.887 13.163 -1.496 1.00 1.08 C ATOM 1061 OG SER A 69 3.618 12.289 -2.576 1.00 1.39 O ATOM 0 H SER A 69 1.704 12.653 0.433 1.00 0.91 H new ATOM 0 HA SER A 69 4.316 11.534 -0.138 1.00 1.08 H new ATOM 0 HB2 SER A 69 3.220 14.024 -1.541 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.905 13.544 -1.573 1.00 1.08 H new ATOM 0 HG SER A 69 4.431 12.169 -3.110 1.00 1.39 H new ATOM 1067 N GLN A 70 3.391 14.319 1.323 1.00 1.49 N ATOM 1068 CA GLN A 70 3.841 15.323 2.285 1.00 1.85 C ATOM 1069 C GLN A 70 3.660 14.877 3.733 1.00 1.93 C ATOM 1070 O GLN A 70 4.576 14.977 4.550 1.00 2.19 O ATOM 1071 CB GLN A 70 3.053 16.614 2.057 1.00 2.07 C ATOM 1072 CG GLN A 70 3.438 17.751 2.986 1.00 2.63 C ATOM 1073 CD GLN A 70 2.474 18.914 2.900 1.00 3.22 C ATOM 1074 OE1 GLN A 70 1.502 18.988 3.650 1.00 3.66 O ATOM 1075 NE2 GLN A 70 2.724 19.821 1.974 1.00 3.79 N ATOM 0 H GLN A 70 2.445 14.457 0.967 1.00 1.49 H new ATOM 0 HA GLN A 70 4.908 15.476 2.124 1.00 1.85 H new ATOM 0 HB2 GLN A 70 3.198 16.937 1.026 1.00 2.07 H new ATOM 0 HB3 GLN A 70 1.990 16.404 2.179 1.00 2.07 H new ATOM 0 HG2 GLN A 70 3.470 17.384 4.012 1.00 2.63 H new ATOM 0 HG3 GLN A 70 4.442 18.095 2.739 1.00 2.63 H new ATOM 0 HE21 GLN A 70 3.541 19.723 1.372 1.00 3.79 H new ATOM 0 HE22 GLN A 70 2.100 20.620 1.861 1.00 3.79 H new ATOM 1084 N THR A 71 2.479 14.369 4.033 1.00 1.75 N ATOM 1085 CA THR A 71 2.127 13.973 5.383 1.00 1.78 C ATOM 1086 C THR A 71 1.439 12.618 5.396 1.00 1.56 C ATOM 1087 O THR A 71 0.771 12.273 4.429 1.00 1.63 O ATOM 1088 CB THR A 71 1.201 15.015 6.025 1.00 1.94 C ATOM 1089 OG1 THR A 71 0.234 15.470 5.069 1.00 2.26 O ATOM 1090 CG2 THR A 71 1.990 16.197 6.566 1.00 2.31 C ATOM 0 H THR A 71 1.738 14.220 3.348 1.00 1.75 H new ATOM 0 HA THR A 71 3.052 13.904 5.956 1.00 1.78 H new ATOM 0 HB THR A 71 0.688 14.539 6.860 1.00 1.94 H new ATOM 0 HG1 THR A 71 -0.353 16.133 5.488 1.00 2.26 H new ATOM 0 HG21 THR A 71 1.305 16.917 7.014 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.695 15.849 7.321 1.00 2.31 H new ATOM 0 HG23 THR A 71 2.536 16.674 5.752 1.00 2.31 H new ATOM 1098 N PRO A 72 1.517 11.862 6.498 1.00 1.41 N ATOM 1099 CA PRO A 72 0.712 10.677 6.666 1.00 1.20 C ATOM 1100 C PRO A 72 -0.319 10.889 7.769 1.00 1.04 C ATOM 1101 O PRO A 72 -0.022 10.835 8.964 1.00 1.06 O ATOM 1102 CB PRO A 72 1.759 9.675 7.134 1.00 1.31 C ATOM 1103 CG PRO A 72 2.793 10.503 7.868 1.00 1.49 C ATOM 1104 CD PRO A 72 2.487 11.967 7.583 1.00 1.53 C ATOM 0 HA PRO A 72 0.157 10.382 5.775 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.320 8.922 7.788 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.203 9.145 6.291 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.755 10.304 8.939 1.00 1.49 H new ATOM 0 HG3 PRO A 72 3.798 10.248 7.532 1.00 1.49 H new ATOM 0 HD2 PRO A 72 2.073 12.476 8.454 1.00 1.53 H new ATOM 0 HD3 PRO A 72 3.377 12.520 7.284 1.00 1.53 H new ATOM 1112 N ASN A 73 -1.537 11.140 7.333 1.00 0.94 N ATOM 1113 CA ASN A 73 -2.612 11.523 8.228 1.00 0.86 C ATOM 1114 C ASN A 73 -3.321 10.254 8.550 1.00 0.68 C ATOM 1115 O ASN A 73 -2.986 9.212 7.947 1.00 0.71 O ATOM 1116 CB ASN A 73 -3.537 12.542 7.548 1.00 0.98 C ATOM 1117 CG ASN A 73 -4.531 13.180 8.503 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -5.669 12.730 8.630 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -4.102 14.230 9.189 1.00 2.17 N ATOM 0 H ASN A 73 -1.810 11.085 6.352 1.00 0.94 H new ATOM 0 HA ASN A 73 -2.250 12.009 9.134 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.931 13.323 7.089 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -4.082 12.048 6.744 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -4.723 14.695 9.851 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -3.151 14.573 9.055 1.00 2.17 H new ATOM 1126 N GLU A 74 -4.369 10.252 9.338 1.00 0.59 N ATOM 1127 CA GLU A 74 -5.039 9.026 9.281 1.00 0.47 C ATOM 1128 C GLU A 74 -6.174 9.245 8.330 1.00 0.52 C ATOM 1129 O GLU A 74 -7.268 9.710 8.630 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.531 8.680 10.686 1.00 0.49 C ATOM 1131 CG GLU A 74 -6.538 7.557 10.760 1.00 1.15 C ATOM 1132 CD GLU A 74 -7.184 7.487 12.124 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -6.563 6.935 13.056 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -8.296 8.027 12.283 1.00 1.84 O ATOM 0 H GLU A 74 -4.725 10.991 9.944 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.415 8.199 8.944 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -4.670 8.414 11.299 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.974 9.573 11.128 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -7.305 7.703 9.999 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.046 6.610 10.539 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.782 8.842 7.151 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.533 8.377 6.048 1.00 0.52 C ATOM 1143 C GLU A 75 -5.748 7.194 5.521 1.00 0.40 C ATOM 1144 O GLU A 75 -6.218 6.431 4.696 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.580 9.454 4.986 1.00 0.69 C ATOM 1146 CG GLU A 75 -7.414 10.663 5.372 1.00 0.89 C ATOM 1147 CD GLU A 75 -8.901 10.358 5.411 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -9.366 9.760 6.406 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -9.614 10.723 4.458 1.00 1.69 O ATOM 0 H GLU A 75 -4.787 8.838 6.928 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.556 8.116 6.318 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.563 9.781 4.769 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.981 9.027 4.067 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -7.095 11.023 6.350 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -7.231 11.468 4.661 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.454 7.152 5.921 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.541 6.155 5.416 1.00 0.47 C ATOM 1158 C CYS A 76 -4.007 4.740 5.750 1.00 0.40 C ATOM 1159 O CYS A 76 -3.565 3.778 5.128 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.140 6.376 5.985 1.00 0.68 C ATOM 1161 SG CYS A 76 -2.032 6.201 7.779 1.00 1.40 S ATOM 0 H CYS A 76 -4.042 7.803 6.589 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.517 6.260 4.331 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.455 5.666 5.520 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.801 7.374 5.708 1.00 0.68 H new ATOM 0 HG CYS A 76 -2.371 7.321 8.345 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.912 4.614 6.719 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.255 3.303 7.232 1.00 0.46 C ATOM 1169 C LEU A 77 -6.378 2.646 6.452 1.00 0.39 C ATOM 1170 O LEU A 77 -7.393 3.263 6.069 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.551 3.298 8.746 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.446 4.404 9.323 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.856 4.359 8.755 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.493 4.265 10.835 1.00 1.59 C ATOM 0 H LEU A 77 -5.409 5.392 7.153 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.359 2.700 7.086 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.009 2.340 8.991 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.596 3.338 9.270 1.00 0.66 H new ATOM 0 HG LEU A 77 -6.017 5.366 9.042 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -8.451 5.160 9.193 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.817 4.486 7.673 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.313 3.398 8.991 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -7.127 5.047 11.253 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.900 3.289 11.098 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.486 4.359 11.241 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.169 1.373 6.210 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.124 0.573 5.505 1.00 0.39 C ATOM 1188 C PHE A 78 -7.340 -0.724 6.281 1.00 0.36 C ATOM 1189 O PHE A 78 -6.530 -1.080 7.140 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.640 0.281 4.081 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.100 1.488 3.359 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.927 2.559 3.061 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.766 1.554 2.987 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -6.435 3.670 2.404 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.270 2.663 2.329 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.103 3.708 2.016 1.00 0.84 C ATOM 0 H PHE A 78 -5.330 0.869 6.499 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.068 1.113 5.425 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.864 -0.483 4.121 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.467 -0.135 3.505 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.968 2.525 3.346 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.107 0.729 3.214 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.085 4.506 2.193 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.225 2.708 2.060 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.723 4.558 1.469 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.426 -1.420 5.995 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.760 -2.638 6.714 1.00 0.37 C ATOM 1208 C LEU A 79 -8.100 -3.821 6.021 1.00 0.35 C ATOM 1209 O LEU A 79 -8.148 -3.927 4.795 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.280 -2.823 6.779 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.769 -3.911 7.738 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.358 -3.593 9.166 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.279 -4.060 7.647 1.00 1.09 C ATOM 0 H LEU A 79 -9.094 -1.162 5.268 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.390 -2.570 7.737 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.732 -1.875 7.071 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.644 -3.055 5.778 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.306 -4.854 7.447 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -10.716 -4.379 9.831 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.271 -3.533 9.227 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -10.792 -2.639 9.466 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.610 -4.838 8.335 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -12.754 -3.115 7.911 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.557 -4.334 6.629 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.491 -4.704 6.794 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.683 -5.770 6.222 1.00 0.42 C ATOM 1227 C GLU A 80 -7.483 -7.065 6.115 1.00 0.40 C ATOM 1228 O GLU A 80 -8.031 -7.559 7.101 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.418 -5.992 7.069 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.536 -7.137 6.580 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.271 -7.313 7.404 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.356 -7.855 8.532 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.185 -6.893 6.939 1.00 2.07 O ATOM 0 H GLU A 80 -7.539 -4.705 7.813 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.387 -5.471 5.217 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.832 -5.073 7.076 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.713 -6.189 8.100 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.109 -8.064 6.604 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.262 -6.958 5.540 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.555 -7.594 4.899 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.234 -8.848 4.634 1.00 0.39 C ATOM 1242 C ARG A 81 -7.277 -9.753 3.893 1.00 0.48 C ATOM 1243 O ARG A 81 -7.001 -9.546 2.720 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.488 -8.647 3.781 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.288 -9.930 3.598 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.080 -9.933 2.300 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.211 -10.037 1.124 1.00 2.05 N ATOM 1248 CZ ARG A 81 -10.586 -10.584 -0.038 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -11.774 -11.163 -0.154 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -9.751 -10.595 -1.069 1.00 3.75 N ATOM 0 H ARG A 81 -7.143 -7.162 4.072 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.543 -9.284 5.584 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.122 -7.892 4.247 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.199 -8.262 2.803 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -9.610 -10.784 3.610 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.971 -10.053 4.439 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.782 -10.767 2.306 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.671 -9.019 2.234 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.262 -9.670 1.196 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.407 -11.193 0.645 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -12.054 -11.578 -1.042 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -8.821 -10.186 -0.977 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -10.039 -11.013 -1.954 1.00 3.75 H new ATOM 1264 N LEU A 82 -6.785 -10.756 4.561 1.00 0.60 N ATOM 1265 CA LEU A 82 -5.764 -11.602 3.988 1.00 0.82 C ATOM 1266 C LEU A 82 -6.350 -12.912 3.495 1.00 0.66 C ATOM 1267 O LEU A 82 -7.108 -13.577 4.204 1.00 0.84 O ATOM 1268 CB LEU A 82 -4.628 -11.838 4.998 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.045 -12.340 6.388 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -5.106 -13.861 6.432 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.087 -11.815 7.446 1.00 1.65 C ATOM 0 H LEU A 82 -7.071 -11.013 5.506 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.343 -11.090 3.123 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -3.933 -12.559 4.568 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.081 -10.903 5.122 1.00 1.25 H new ATOM 0 HG LEU A 82 -6.045 -11.961 6.598 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -5.404 -14.184 7.429 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.833 -14.217 5.703 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.124 -14.271 6.196 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -4.394 -12.178 8.427 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.078 -12.165 7.229 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.102 -10.725 7.442 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.054 -13.241 2.252 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.308 -14.574 1.754 1.00 0.82 C ATOM 1285 C GLU A 83 -5.093 -15.405 2.122 1.00 1.29 C ATOM 1286 O GLU A 83 -3.973 -14.886 2.151 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.545 -14.565 0.240 1.00 1.39 C ATOM 1288 CG GLU A 83 -7.217 -15.830 -0.270 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.574 -15.766 -1.740 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -8.507 -15.016 -2.101 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -6.930 -16.475 -2.541 1.00 2.36 O ATOM 0 H GLU A 83 -5.639 -12.604 1.572 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.213 -14.993 2.195 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -7.161 -13.704 -0.019 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.590 -14.438 -0.270 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -6.555 -16.679 -0.100 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -8.122 -16.011 0.309 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.276 -16.677 2.398 1.00 1.26 N ATOM 1299 CA GLU A 84 -4.236 -17.422 3.076 1.00 1.78 C ATOM 1300 C GLU A 84 -3.288 -18.092 2.096 1.00 1.46 C ATOM 1301 O GLU A 84 -3.695 -18.846 1.218 1.00 1.49 O ATOM 1302 CB GLU A 84 -4.855 -18.435 4.036 1.00 2.65 C ATOM 1303 CG GLU A 84 -5.697 -17.772 5.116 1.00 3.44 C ATOM 1304 CD GLU A 84 -6.202 -18.746 6.155 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -5.434 -19.099 7.071 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -7.369 -19.178 6.051 1.00 3.98 O ATOM 0 H GLU A 84 -6.116 -17.209 2.170 1.00 1.26 H new ATOM 0 HA GLU A 84 -3.639 -16.717 3.655 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -5.475 -19.133 3.473 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -4.063 -19.019 4.504 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -5.105 -17.000 5.608 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -6.547 -17.273 4.651 1.00 3.44 H new ATOM 1313 N ASN A 85 -2.020 -17.713 2.223 1.00 1.98 N ATOM 1314 CA ASN A 85 -0.913 -18.297 1.462 1.00 2.36 C ATOM 1315 C ASN A 85 -1.056 -17.970 -0.006 1.00 1.83 C ATOM 1316 O ASN A 85 -0.421 -18.560 -0.878 1.00 2.36 O ATOM 1317 CB ASN A 85 -0.807 -19.813 1.689 1.00 3.24 C ATOM 1318 CG ASN A 85 0.627 -20.328 1.632 1.00 4.01 C ATOM 1319 OD1 ASN A 85 0.969 -21.295 2.311 1.00 4.69 O ATOM 1320 ND2 ASN A 85 1.470 -19.698 0.827 1.00 4.33 N ATOM 0 H ASN A 85 -1.725 -16.980 2.867 1.00 1.98 H new ATOM 0 HA ASN A 85 0.016 -17.856 1.824 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -1.237 -20.060 2.660 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -1.402 -20.330 0.936 1.00 3.24 H new ATOM 0 HD21 ASN A 85 2.438 -20.012 0.756 1.00 4.33 H new ATOM 0 HD22 ASN A 85 1.151 -18.899 0.279 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.904 -17.015 -0.243 1.00 1.13 N ATOM 1328 CA HIS A 86 -2.101 -16.456 -1.552 1.00 1.29 C ATOM 1329 C HIS A 86 -1.603 -15.024 -1.592 1.00 1.07 C ATOM 1330 O HIS A 86 -0.557 -14.730 -2.172 1.00 1.43 O ATOM 1331 CB HIS A 86 -3.574 -16.497 -1.963 1.00 2.00 C ATOM 1332 CG HIS A 86 -4.007 -17.788 -2.585 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -4.009 -17.997 -3.945 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -4.475 -18.932 -2.031 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -4.457 -19.208 -4.201 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -4.750 -19.800 -3.059 1.00 3.81 N ATOM 0 H HIS A 86 -2.490 -16.593 0.478 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.531 -17.061 -2.257 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -4.189 -16.307 -1.084 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -3.765 -15.687 -2.667 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -4.607 -19.126 -0.977 1.00 3.02 H new ATOM 0 HE1 HIS A 86 -4.567 -19.644 -5.183 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -5.119 -20.745 -2.957 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.356 -14.141 -0.957 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.096 -12.705 -1.039 1.00 0.49 C ATOM 1347 C TYR A 87 -2.866 -11.950 0.039 1.00 0.46 C ATOM 1348 O TYR A 87 -3.829 -12.465 0.603 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.466 -12.165 -2.429 1.00 0.61 C ATOM 1350 CG TYR A 87 -3.917 -12.372 -2.806 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -4.880 -11.426 -2.482 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -4.321 -13.510 -3.491 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -6.203 -11.607 -2.831 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -5.642 -13.699 -3.841 1.00 2.16 C ATOM 1355 CZ TYR A 87 -6.582 -12.761 -3.486 1.00 2.70 C ATOM 1356 OH TYR A 87 -7.894 -12.925 -3.865 1.00 3.60 O ATOM 0 H TYR A 87 -3.156 -14.390 -0.376 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.030 -12.548 -0.876 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -2.241 -11.099 -2.465 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -1.835 -12.649 -3.175 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -4.589 -10.534 -1.948 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.589 -14.259 -3.754 1.00 1.38 H new ATOM 0 HE1 TYR A 87 -6.936 -10.851 -2.593 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -5.936 -14.580 -4.392 1.00 2.16 H new ATOM 0 HH TYR A 87 -8.304 -13.634 -3.327 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.443 -10.727 0.309 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.160 -9.847 1.224 1.00 0.38 C ATOM 1368 C ASN A 88 -4.084 -8.945 0.423 1.00 0.34 C ATOM 1369 O ASN A 88 -3.836 -8.673 -0.750 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.176 -8.996 2.025 1.00 0.43 C ATOM 1371 CG ASN A 88 -2.799 -8.384 3.263 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -3.408 -7.324 3.202 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -2.632 -9.039 4.401 1.00 1.60 N ATOM 0 H ASN A 88 -1.601 -10.316 -0.094 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.743 -10.451 1.920 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.326 -9.612 2.319 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -1.789 -8.201 1.388 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -3.017 -8.663 5.267 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.118 -9.920 4.412 1.00 1.60 H new ATOM 1380 N THR A 89 -5.167 -8.535 1.037 1.00 0.36 N ATOM 1381 CA THR A 89 -6.103 -7.617 0.422 1.00 0.37 C ATOM 1382 C THR A 89 -6.327 -6.437 1.357 1.00 0.37 C ATOM 1383 O THR A 89 -6.073 -6.545 2.551 1.00 0.40 O ATOM 1384 CB THR A 89 -7.442 -8.316 0.133 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.202 -9.577 -0.505 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.321 -7.461 -0.767 1.00 0.49 C ATOM 0 H THR A 89 -5.427 -8.827 1.979 1.00 0.36 H new ATOM 0 HA THR A 89 -5.690 -7.269 -0.525 1.00 0.37 H new ATOM 0 HB THR A 89 -7.956 -8.469 1.082 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.006 -10.255 0.175 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.261 -7.979 -0.955 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.523 -6.508 -0.279 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.809 -7.283 -1.713 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.805 -5.321 0.838 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.057 -4.165 1.679 1.00 0.42 C ATOM 1396 C TYR A 90 -8.361 -3.468 1.308 1.00 0.38 C ATOM 1397 O TYR A 90 -8.679 -3.280 0.134 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.883 -3.182 1.618 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.674 -3.639 2.407 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.753 -3.815 3.781 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.462 -3.900 1.781 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.663 -4.242 4.509 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.363 -4.324 2.505 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.471 -4.495 3.870 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.387 -4.929 4.601 1.00 0.87 O ATOM 0 H TYR A 90 -7.024 -5.190 -0.150 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.157 -4.524 2.703 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.594 -3.036 0.577 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.210 -2.213 1.997 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.685 -3.614 4.289 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.377 -3.770 0.712 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.744 -4.377 5.577 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.426 -4.520 2.005 1.00 0.85 H new ATOM 0 HH TYR A 90 -1.691 -5.532 5.311 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.119 -3.114 2.331 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.329 -2.339 2.188 1.00 0.35 C ATOM 1417 C ILE A 91 -10.004 -0.932 2.561 1.00 0.36 C ATOM 1418 O ILE A 91 -9.314 -0.701 3.546 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.418 -2.857 3.130 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -11.173 -4.327 3.416 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.799 -2.634 2.537 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.232 -4.985 4.269 1.00 1.55 C ATOM 0 H ILE A 91 -8.904 -3.363 3.297 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.694 -2.411 1.164 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.377 -2.303 4.068 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -11.104 -4.862 2.469 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -10.208 -4.432 3.912 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.556 -3.011 3.225 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -12.956 -1.568 2.372 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.877 -3.163 1.587 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -11.976 -6.033 4.423 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -12.288 -4.480 5.233 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -13.197 -4.917 3.767 1.00 1.55 H new ATOM 1434 N SER A 92 -10.520 0.003 1.825 1.00 0.36 N ATOM 1435 CA SER A 92 -10.218 1.373 2.091 1.00 0.40 C ATOM 1436 C SER A 92 -11.218 1.792 3.121 1.00 0.43 C ATOM 1437 O SER A 92 -12.364 2.091 2.815 1.00 0.53 O ATOM 1438 CB SER A 92 -10.317 2.197 0.809 1.00 0.47 C ATOM 1439 OG SER A 92 -9.422 3.292 0.842 1.00 1.33 O ATOM 0 H SER A 92 -11.150 -0.157 1.039 1.00 0.36 H new ATOM 0 HA SER A 92 -9.201 1.523 2.454 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.094 1.566 -0.052 1.00 0.47 H new ATOM 0 HB3 SER A 92 -11.337 2.560 0.683 1.00 0.47 H new ATOM 0 HG SER A 92 -9.779 3.989 1.431 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.780 1.741 4.374 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.709 1.684 5.479 1.00 0.54 C ATOM 1447 C LYS A 93 -12.457 2.988 5.656 1.00 0.57 C ATOM 1448 O LYS A 93 -13.411 3.046 6.429 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.983 1.325 6.777 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.893 0.650 7.785 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.459 0.913 9.215 1.00 1.27 C ATOM 1452 CE LYS A 93 -12.439 0.297 10.198 1.00 1.20 C ATOM 1453 NZ LYS A 93 -12.233 0.797 11.580 1.00 1.58 N ATOM 0 H LYS A 93 -9.796 1.738 4.641 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.436 0.907 5.245 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.145 0.666 6.550 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.566 2.230 7.218 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.914 1.006 7.646 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.902 -0.424 7.602 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -10.464 0.500 9.380 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.391 1.987 9.387 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -13.458 0.519 9.881 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -12.331 -0.788 10.186 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -12.865 0.289 12.231 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -11.245 0.638 11.863 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.444 1.815 11.616 1.00 1.58 H new ATOM 1467 N LYS A 94 -12.094 4.000 4.884 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.940 5.174 4.777 1.00 0.67 C ATOM 1469 C LYS A 94 -14.298 4.715 4.267 1.00 0.79 C ATOM 1470 O LYS A 94 -15.299 4.801 4.980 1.00 0.97 O ATOM 1471 CB LYS A 94 -12.321 6.241 3.851 1.00 0.69 C ATOM 1472 CG LYS A 94 -13.037 7.580 3.847 1.00 1.21 C ATOM 1473 CD LYS A 94 -12.866 8.306 5.172 1.00 1.56 C ATOM 1474 CE LYS A 94 -13.248 9.772 5.062 1.00 2.00 C ATOM 1475 NZ LYS A 94 -12.295 10.532 4.212 1.00 2.32 N ATOM 0 H LYS A 94 -11.236 4.032 4.333 1.00 0.52 H new ATOM 0 HA LYS A 94 -13.044 5.648 5.753 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -11.285 6.401 4.148 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -12.304 5.852 2.833 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -12.648 8.199 3.039 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -14.098 7.426 3.649 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -13.482 7.825 5.932 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -11.830 8.223 5.501 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -14.252 9.855 4.645 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -13.279 10.215 6.058 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -12.444 11.552 4.350 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.320 10.286 4.478 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -12.453 10.291 3.213 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.343 4.238 3.030 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.560 3.631 2.507 1.00 0.96 C ATOM 1491 C HIS A 95 -15.563 2.104 2.533 1.00 1.01 C ATOM 1492 O HIS A 95 -16.186 1.474 1.674 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.906 4.154 1.112 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.089 5.631 1.086 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.920 6.534 0.096 1.00 1.55 N flip ATOM 1496 CD2 HIS A 95 -16.429 6.353 2.204 1.00 1.69 C flip ATOM 1497 CE1 HIS A 95 -16.150 7.774 0.635 1.00 2.27 C flip ATOM 1498 NE2 HIS A 95 -16.452 7.629 1.909 1.00 2.32 N flip ATOM 0 H HIS A 95 -13.560 4.259 2.376 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.343 3.942 3.198 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -15.113 3.877 0.417 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.819 3.672 0.763 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -15.668 6.332 -0.872 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -16.644 5.934 3.176 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -16.093 8.713 0.104 1.00 2.27 H new ATOM 1507 N ALA A 96 -14.883 1.509 3.503 1.00 0.94 N ATOM 1508 CA ALA A 96 -14.907 0.056 3.678 1.00 1.02 C ATOM 1509 C ALA A 96 -16.335 -0.478 3.690 1.00 1.03 C ATOM 1510 O ALA A 96 -16.648 -1.467 3.025 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.204 -0.340 4.966 1.00 1.18 C ATOM 0 H ALA A 96 -14.307 2.006 4.183 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.380 -0.384 2.831 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.233 -1.424 5.078 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.167 -0.006 4.932 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -14.707 0.126 5.813 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.201 0.204 4.427 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.585 -0.220 4.584 1.00 1.16 C ATOM 1519 C GLU A 97 -19.349 -0.127 3.260 1.00 1.07 C ATOM 1520 O GLU A 97 -20.337 -0.827 3.052 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.265 0.632 5.661 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.643 0.138 6.061 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.631 -1.302 6.525 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -19.993 -1.594 7.556 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.266 -2.154 5.865 1.00 3.42 O ATOM 0 H GLU A 97 -16.966 1.060 4.929 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.594 -1.265 4.894 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.628 0.657 6.545 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.349 1.657 5.300 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.034 0.770 6.858 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.321 0.237 5.213 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.871 0.714 2.351 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.534 0.899 1.065 1.00 0.88 C ATOM 1534 C LYS A 98 -19.055 -0.160 0.070 1.00 0.83 C ATOM 1535 O LYS A 98 -19.442 -0.154 -1.101 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.262 2.312 0.534 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.142 2.715 -0.643 1.00 1.41 C ATOM 1538 CD LYS A 98 -21.621 2.612 -0.301 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.991 3.509 0.870 1.00 2.14 C ATOM 1540 NZ LYS A 98 -23.391 3.291 1.317 1.00 2.65 N ATOM 0 H LYS A 98 -18.030 1.277 2.479 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.610 0.783 1.196 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -19.407 3.027 1.344 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.217 2.380 0.232 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.907 3.737 -0.940 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.921 2.076 -1.498 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -22.216 2.887 -1.172 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.868 1.578 -0.060 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -21.311 3.319 1.701 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.860 4.552 0.583 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -23.602 3.922 2.116 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -24.042 3.496 0.532 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -23.510 2.302 1.616 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.171 -1.038 0.554 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.687 -2.200 -0.198 1.00 0.84 C ATOM 1556 C ASN A 99 -16.570 -1.766 -1.143 1.00 0.68 C ATOM 1557 O ASN A 99 -16.222 -2.470 -2.092 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.841 -2.882 -0.962 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.625 -4.364 -1.248 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.582 -5.138 -1.258 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -17.394 -4.770 -1.512 1.00 2.00 N ATOM 0 H ASN A 99 -17.767 -0.961 1.488 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.286 -2.936 0.499 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.759 -2.767 -0.386 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.991 -2.361 -1.908 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -17.216 -5.750 -1.732 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -16.622 -4.103 -1.495 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.010 -0.595 -0.878 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.885 -0.103 -1.642 1.00 0.44 C ATOM 1570 C TRP A 100 -13.595 -0.757 -1.182 1.00 0.41 C ATOM 1571 O TRP A 100 -13.357 -0.918 0.017 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.771 1.408 -1.508 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.062 2.152 -2.779 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -15.593 1.661 -3.938 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.813 3.532 -3.009 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -15.684 2.666 -4.875 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -15.207 3.827 -4.325 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.294 4.545 -2.221 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -15.084 5.111 -4.866 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.173 5.809 -2.753 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.562 6.088 -4.058 1.00 1.01 C ATOM 0 H TRP A 100 -16.322 0.031 -0.135 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.052 -0.356 -2.689 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -15.459 1.748 -0.733 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.764 1.659 -1.173 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -15.896 0.637 -4.096 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -16.047 2.563 -5.823 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.989 4.347 -1.204 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -15.388 5.324 -5.880 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.767 6.602 -2.143 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.451 7.091 -4.442 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.763 -1.124 -2.131 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.461 -1.679 -1.818 1.00 0.51 C ATOM 1594 C PHE A 101 -10.419 -0.598 -1.996 1.00 0.55 C ATOM 1595 O PHE A 101 -10.584 0.279 -2.830 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.124 -2.861 -2.731 1.00 0.60 C ATOM 1597 CG PHE A 101 -11.999 -4.070 -2.547 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.253 -4.128 -3.129 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.552 -5.157 -1.814 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.048 -5.247 -2.983 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.346 -6.278 -1.662 1.00 0.79 C ATOM 1602 CZ PHE A 101 -13.594 -6.323 -2.249 1.00 0.77 C ATOM 0 H PHE A 101 -12.963 -1.049 -3.128 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.473 -2.039 -0.789 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.195 -2.533 -3.768 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.087 -3.151 -2.559 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.614 -3.288 -3.704 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.574 -5.128 -1.357 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.025 -5.280 -3.443 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -11.990 -7.118 -1.084 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.214 -7.199 -2.134 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.381 -0.606 -1.194 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.245 0.227 -1.508 1.00 0.55 C ATOM 1614 C VAL A 102 -7.267 -0.607 -2.303 1.00 0.50 C ATOM 1615 O VAL A 102 -6.776 -1.623 -1.826 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.552 0.824 -0.261 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.136 -0.258 0.714 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.352 1.663 -0.670 1.00 1.27 C ATOM 0 H VAL A 102 -9.298 -1.162 -0.343 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.600 1.083 -2.082 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.273 1.466 0.244 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.652 0.197 1.578 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.016 -0.811 1.041 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.439 -0.940 0.226 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.876 2.075 0.220 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.638 1.039 -1.207 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.680 2.477 -1.316 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.034 -0.216 -3.533 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.103 -0.940 -4.351 1.00 0.61 C ATOM 1630 C GLY A 103 -5.172 -0.024 -5.062 1.00 0.54 C ATOM 1631 O GLY A 103 -5.547 1.068 -5.474 1.00 0.66 O ATOM 0 H GLY A 103 -7.472 0.589 -3.981 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.532 -1.630 -3.730 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.648 -1.542 -5.078 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.955 -0.465 -5.178 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.931 0.295 -5.864 1.00 0.50 C ATOM 1637 C LEU A 104 -2.167 -0.604 -6.807 1.00 0.59 C ATOM 1638 O LEU A 104 -1.943 -1.774 -6.507 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.989 1.001 -4.879 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.645 0.252 -3.584 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.919 -1.052 -3.863 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.799 1.143 -2.697 1.00 1.27 C ATOM 0 H LEU A 104 -3.636 -1.359 -4.804 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.419 1.077 -6.446 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.057 1.221 -5.400 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.437 1.957 -4.608 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.577 0.003 -3.077 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.693 -1.552 -2.921 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.551 -1.697 -4.474 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.009 -0.845 -4.395 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.554 0.613 -1.777 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.120 1.408 -3.219 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.354 2.050 -2.456 1.00 1.27 H new ATOM 1654 N LYS A 105 -1.779 -0.099 -7.954 1.00 0.49 N ATOM 1655 CA LYS A 105 -0.969 -0.919 -8.823 1.00 0.54 C ATOM 1656 C LYS A 105 0.482 -0.557 -8.666 1.00 0.49 C ATOM 1657 O LYS A 105 0.961 0.411 -9.226 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.408 -0.790 -10.284 1.00 0.70 C ATOM 1659 CG LYS A 105 -0.588 -1.643 -11.238 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.737 -3.124 -10.938 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.971 -3.712 -11.600 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.819 -3.777 -13.077 1.00 2.09 N ATOM 0 H LYS A 105 -1.999 0.836 -8.298 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.106 -1.961 -8.534 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.458 -1.072 -10.367 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.334 0.254 -10.587 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -0.902 -1.446 -12.263 1.00 0.94 H new ATOM 0 HG3 LYS A 105 0.463 -1.361 -11.166 1.00 0.94 H new ATOM 0 HD2 LYS A 105 0.149 -3.656 -11.284 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.797 -3.272 -9.860 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -2.154 -4.712 -11.208 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -2.843 -3.107 -11.349 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -2.482 -4.479 -13.464 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.024 -2.844 -13.488 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -0.845 -4.053 -13.314 1.00 2.09 H new ATOM 1676 N LYS A 106 1.212 -1.405 -7.979 1.00 0.46 N ATOM 1677 CA LYS A 106 2.617 -1.161 -7.808 1.00 0.44 C ATOM 1678 C LYS A 106 3.311 -1.327 -9.143 1.00 0.44 C ATOM 1679 O LYS A 106 4.367 -0.774 -9.369 1.00 0.46 O ATOM 1680 CB LYS A 106 3.220 -2.097 -6.741 1.00 0.51 C ATOM 1681 CG LYS A 106 4.017 -3.284 -7.277 1.00 0.81 C ATOM 1682 CD LYS A 106 3.164 -4.257 -8.069 1.00 1.11 C ATOM 1683 CE LYS A 106 4.005 -5.263 -8.841 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.515 -6.358 -7.979 1.00 1.57 N ATOM 0 H LYS A 106 0.860 -2.255 -7.538 1.00 0.46 H new ATOM 0 HA LYS A 106 2.765 -0.141 -7.452 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.870 -1.509 -6.094 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.410 -2.478 -6.118 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.824 -2.917 -7.911 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.481 -3.811 -6.443 1.00 0.81 H new ATOM 0 HD2 LYS A 106 2.497 -4.789 -7.390 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.535 -3.702 -8.765 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.408 -5.688 -9.647 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.846 -4.748 -9.305 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 5.415 -6.710 -8.362 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 4.666 -5.999 -7.015 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.822 -7.133 -7.956 1.00 1.57 H new ATOM 1698 N ASN A 107 2.727 -2.122 -10.033 1.00 0.50 N ATOM 1699 CA ASN A 107 3.374 -2.356 -11.301 1.00 0.56 C ATOM 1700 C ASN A 107 3.154 -1.166 -12.223 1.00 0.60 C ATOM 1701 O ASN A 107 3.774 -1.054 -13.279 1.00 0.70 O ATOM 1702 CB ASN A 107 2.839 -3.642 -11.939 1.00 0.67 C ATOM 1703 CG ASN A 107 3.854 -4.304 -12.852 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.703 -5.068 -12.388 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.765 -4.035 -14.144 1.00 1.84 N ATOM 0 H ASN A 107 1.835 -2.598 -9.900 1.00 0.50 H new ATOM 0 HA ASN A 107 4.445 -2.475 -11.138 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.551 -4.341 -11.154 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.938 -3.414 -12.508 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.415 -4.466 -14.801 1.00 1.84 H new ATOM 0 HD22 ASN A 107 3.046 -3.396 -14.484 1.00 1.84 H new ATOM 1712 N GLY A 108 2.252 -0.289 -11.817 1.00 0.56 N ATOM 1713 CA GLY A 108 2.081 0.975 -12.482 1.00 0.65 C ATOM 1714 C GLY A 108 2.221 2.122 -11.520 1.00 0.60 C ATOM 1715 O GLY A 108 3.302 2.634 -11.229 1.00 0.71 O ATOM 0 H GLY A 108 1.627 -0.438 -11.025 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.820 1.073 -13.278 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.099 1.011 -12.953 1.00 0.65 H new ATOM 1719 N SER A 109 1.078 2.394 -10.934 1.00 0.53 N ATOM 1720 CA SER A 109 0.827 3.553 -10.112 1.00 0.64 C ATOM 1721 C SER A 109 -0.316 3.185 -9.178 1.00 0.54 C ATOM 1722 O SER A 109 -0.999 2.186 -9.410 1.00 0.54 O ATOM 1723 CB SER A 109 0.443 4.758 -10.983 1.00 0.93 C ATOM 1724 OG SER A 109 1.437 5.033 -11.958 1.00 1.50 O ATOM 0 H SER A 109 0.263 1.787 -11.022 1.00 0.53 H new ATOM 0 HA SER A 109 1.717 3.833 -9.549 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.509 4.562 -11.477 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.300 5.634 -10.351 1.00 0.93 H new ATOM 0 HG SER A 109 1.162 5.804 -12.497 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.576 3.982 -8.171 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.596 3.628 -7.215 1.00 0.82 C ATOM 1732 C CYS A 110 -2.976 3.956 -7.784 1.00 0.66 C ATOM 1733 O CYS A 110 -3.141 4.882 -8.578 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.335 4.393 -5.926 1.00 1.35 C ATOM 1735 SG CYS A 110 -1.179 6.180 -6.152 1.00 2.32 S ATOM 0 H CYS A 110 -0.103 4.868 -7.993 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.569 2.559 -7.006 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -2.147 4.195 -5.227 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.421 4.014 -5.469 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.955 6.793 -5.308 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.955 3.161 -7.373 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.158 2.947 -8.162 1.00 1.00 C ATOM 1743 C LYS A 111 -6.373 3.604 -7.564 1.00 0.75 C ATOM 1744 O LYS A 111 -6.458 3.863 -6.369 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.447 1.463 -8.426 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.472 0.798 -9.391 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.093 1.707 -10.557 1.00 2.18 C ATOM 1748 CE LYS A 111 -5.272 1.995 -11.478 1.00 3.01 C ATOM 1749 NZ LYS A 111 -5.569 0.858 -12.388 1.00 3.59 N ATOM 0 H LYS A 111 -3.937 2.650 -6.490 1.00 0.72 H new ATOM 0 HA LYS A 111 -4.948 3.425 -9.119 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -5.425 0.926 -7.478 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -6.457 1.366 -8.824 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -3.570 0.510 -8.851 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -4.917 -0.118 -9.779 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.701 2.647 -10.168 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.292 1.241 -11.132 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -6.154 2.216 -10.877 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -5.059 2.885 -12.070 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -6.333 1.126 -13.040 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -4.717 0.618 -12.933 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -5.865 0.033 -11.828 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.283 3.890 -8.453 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.445 4.685 -8.178 1.00 1.36 C ATOM 1765 C ARG A 112 -9.674 3.795 -7.961 1.00 1.14 C ATOM 1766 O ARG A 112 -9.743 2.677 -8.479 1.00 1.79 O ATOM 1767 CB ARG A 112 -8.639 5.614 -9.370 1.00 2.63 C ATOM 1768 CG ARG A 112 -7.311 6.170 -9.874 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.375 6.558 -11.343 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.042 6.749 -11.915 1.00 4.81 N ATOM 1771 CZ ARG A 112 -5.430 7.928 -12.016 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -6.027 9.026 -11.576 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -4.223 8.004 -12.561 1.00 6.59 N ATOM 0 H ARG A 112 -7.234 3.566 -9.419 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.314 5.262 -7.263 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -9.136 5.074 -10.175 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -9.294 6.438 -9.087 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -7.035 7.042 -9.281 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.528 5.425 -9.730 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -7.902 5.784 -11.900 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.952 7.477 -11.451 1.00 4.09 H new ATOM 0 HE ARG A 112 -5.549 5.925 -12.259 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.956 8.969 -11.159 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -5.557 9.928 -11.654 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -3.764 7.160 -12.903 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -3.754 8.907 -12.638 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.656 4.341 -7.248 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.784 3.567 -6.736 1.00 0.76 C ATOM 1789 C GLY A 113 -12.738 2.987 -7.778 1.00 0.77 C ATOM 1790 O GLY A 113 -13.353 1.957 -7.505 1.00 0.80 O ATOM 0 H GLY A 113 -10.692 5.332 -7.009 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.391 2.745 -6.138 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.359 4.204 -6.064 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.934 3.598 -8.966 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.751 2.986 -10.023 1.00 1.07 C ATOM 1796 C PRO A 114 -13.307 1.562 -10.399 1.00 0.90 C ATOM 1797 O PRO A 114 -14.059 0.830 -11.045 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.583 3.932 -11.221 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.450 4.830 -10.863 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.464 4.931 -9.369 1.00 1.03 C ATOM 0 HA PRO A 114 -14.783 2.870 -9.693 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.369 3.375 -12.134 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.494 4.502 -11.401 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.503 4.425 -11.218 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -12.569 5.811 -11.322 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.475 5.151 -8.968 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -13.132 5.719 -9.022 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.094 1.167 -9.997 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.584 -0.166 -10.293 1.00 0.74 C ATOM 1810 C ARG A 115 -11.095 -0.874 -9.026 1.00 0.69 C ATOM 1811 O ARG A 115 -10.466 -1.932 -9.106 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.447 -0.090 -11.317 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.850 -0.498 -12.728 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.922 0.410 -13.312 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.464 1.793 -13.463 1.00 1.81 N ATOM 1816 CZ ARG A 115 -12.070 2.694 -14.239 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.146 2.353 -14.937 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -11.606 3.936 -14.316 1.00 2.62 N ATOM 0 H ARG A 115 -11.451 1.755 -9.466 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.407 -0.746 -10.711 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.063 0.930 -11.341 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.630 -0.731 -10.985 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.972 -0.480 -13.373 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.215 -1.525 -12.716 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.230 0.025 -14.284 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -12.801 0.390 -12.668 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.635 2.084 -12.946 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.510 1.402 -14.881 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -13.609 3.042 -15.530 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.781 4.207 -13.780 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.074 4.619 -14.911 1.00 2.62 H new ATOM 1832 N THR A 116 -11.376 -0.297 -7.860 1.00 0.61 N ATOM 1833 CA THR A 116 -10.980 -0.906 -6.605 1.00 0.75 C ATOM 1834 C THR A 116 -12.055 -1.862 -6.097 1.00 0.85 C ATOM 1835 O THR A 116 -12.970 -1.504 -5.355 1.00 1.23 O ATOM 1836 CB THR A 116 -10.649 0.130 -5.540 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.730 1.047 -5.376 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.370 0.880 -5.884 1.00 1.13 C ATOM 0 H THR A 116 -11.875 0.588 -7.764 1.00 0.61 H new ATOM 0 HA THR A 116 -10.071 -1.473 -6.805 1.00 0.75 H new ATOM 0 HB THR A 116 -10.493 -0.398 -4.599 1.00 0.93 H new ATOM 0 HG1 THR A 116 -12.558 0.550 -5.210 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.158 1.614 -5.106 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.542 0.175 -5.953 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.493 1.390 -6.840 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.833 -3.092 -6.476 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.778 -4.207 -6.463 1.00 0.77 C ATOM 1848 C HIS A 117 -12.004 -5.262 -7.198 1.00 0.68 C ATOM 1849 O HIS A 117 -10.845 -4.995 -7.543 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.090 -3.930 -7.229 1.00 0.89 C ATOM 1851 CG HIS A 117 -15.043 -2.969 -6.580 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.399 -1.770 -7.159 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.730 -3.038 -5.414 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -16.258 -1.144 -6.381 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -16.477 -1.890 -5.316 1.00 2.85 N ATOM 0 H HIS A 117 -10.920 -3.376 -6.831 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.097 -4.451 -5.450 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -13.836 -3.547 -8.217 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.607 -4.878 -7.378 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -15.696 -3.845 -4.696 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -16.707 -0.182 -6.581 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -17.100 -1.653 -4.544 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.538 -6.426 -7.502 1.00 0.73 N ATOM 1865 CA TYR A 118 -11.751 -7.225 -8.403 1.00 0.69 C ATOM 1866 C TYR A 118 -12.083 -6.731 -9.802 1.00 0.68 C ATOM 1867 O TYR A 118 -12.901 -7.286 -10.541 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.063 -8.716 -8.250 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.164 -9.607 -9.078 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -9.842 -9.823 -8.708 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -11.632 -10.226 -10.230 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -9.013 -10.630 -9.462 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -10.810 -11.036 -10.988 1.00 2.72 C ATOM 1874 CZ TYR A 118 -9.502 -11.234 -10.601 1.00 3.19 C ATOM 1875 OH TYR A 118 -8.677 -12.035 -11.359 1.00 4.11 O ATOM 0 H TYR A 118 -13.425 -6.810 -7.175 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.687 -7.122 -8.190 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -11.969 -8.993 -7.200 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.100 -8.894 -8.535 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -9.457 -9.352 -7.816 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -12.656 -10.071 -10.538 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -7.988 -10.787 -9.161 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -11.190 -11.512 -11.880 1.00 2.72 H new ATOM 0 HH TYR A 118 -9.176 -12.385 -12.127 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.415 -5.626 -10.104 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.355 -5.048 -11.416 1.00 0.65 C ATOM 1887 C GLY A 119 -9.958 -5.158 -11.952 1.00 0.65 C ATOM 1888 O GLY A 119 -9.727 -5.289 -13.153 1.00 0.73 O ATOM 0 H GLY A 119 -10.886 -5.098 -9.410 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.052 -5.558 -12.081 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.659 -4.002 -11.378 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.025 -5.087 -11.008 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.612 -4.953 -11.297 1.00 0.64 C ATOM 1894 C GLN A 120 -6.820 -5.853 -10.351 1.00 0.62 C ATOM 1895 O GLN A 120 -7.301 -6.183 -9.267 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.198 -3.493 -11.066 1.00 0.67 C ATOM 1897 CG GLN A 120 -6.079 -3.020 -11.977 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.545 -2.784 -13.399 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -6.966 -1.680 -13.745 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.479 -3.812 -14.229 1.00 2.13 N ATOM 0 H GLN A 120 -9.237 -5.122 -10.011 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.413 -5.240 -12.330 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.067 -2.852 -11.211 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.884 -3.374 -10.029 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -5.657 -2.097 -11.579 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -5.280 -3.761 -11.979 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -6.123 -4.710 -13.901 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -6.784 -3.707 -15.197 1.00 2.13 H new ATOM 1909 N LYS A 121 -5.603 -6.228 -10.734 1.00 0.75 N ATOM 1910 CA LYS A 121 -4.757 -7.030 -9.853 1.00 0.78 C ATOM 1911 C LYS A 121 -4.012 -6.125 -8.884 1.00 0.70 C ATOM 1912 O LYS A 121 -3.022 -6.523 -8.275 1.00 0.75 O ATOM 1913 CB LYS A 121 -3.749 -7.882 -10.636 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.381 -8.769 -11.701 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.389 -9.731 -11.090 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.979 -10.676 -12.126 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.984 -11.654 -12.635 1.00 2.85 N ATOM 0 H LYS A 121 -5.184 -5.994 -11.634 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.411 -7.708 -9.305 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.023 -7.222 -11.111 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.198 -8.510 -9.935 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.874 -8.148 -12.449 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -3.603 -9.332 -12.217 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -4.905 -10.311 -10.304 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -6.192 -9.164 -10.619 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.820 -11.213 -11.686 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -6.373 -10.095 -12.960 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -5.460 -12.348 -13.246 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -4.254 -11.154 -13.182 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -4.540 -12.146 -11.834 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.502 -4.900 -8.764 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.989 -3.941 -7.800 1.00 0.72 C ATOM 1933 C ALA A 122 -4.482 -4.307 -6.408 1.00 0.54 C ATOM 1934 O ALA A 122 -4.021 -3.781 -5.398 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.456 -2.547 -8.179 1.00 0.92 C ATOM 0 H ALA A 122 -5.269 -4.543 -9.334 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.899 -3.961 -7.802 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.072 -1.826 -7.457 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.086 -2.297 -9.173 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.546 -2.516 -8.179 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.447 -5.210 -6.394 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.048 -5.712 -5.172 1.00 0.44 C ATOM 1943 C ILE A 123 -5.293 -6.956 -4.675 1.00 0.40 C ATOM 1944 O ILE A 123 -5.643 -7.562 -3.661 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.540 -6.045 -5.428 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.243 -4.839 -6.059 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.258 -6.450 -4.147 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.259 -3.605 -5.181 1.00 1.37 C ATOM 0 H ILE A 123 -5.840 -5.620 -7.242 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.983 -4.946 -4.399 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.577 -6.893 -6.112 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.750 -4.596 -7.000 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.270 -5.115 -6.299 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.301 -6.675 -4.370 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.778 -7.333 -3.725 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.209 -5.632 -3.428 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.774 -2.796 -5.699 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.779 -3.828 -4.249 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.235 -3.301 -4.962 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.238 -7.328 -5.392 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.411 -8.456 -4.993 1.00 0.43 C ATOM 1962 C LEU A 124 -2.168 -7.941 -4.288 1.00 0.37 C ATOM 1963 O LEU A 124 -1.145 -7.688 -4.928 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.007 -9.300 -6.207 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.162 -9.861 -7.038 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -3.624 -10.723 -8.168 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.117 -10.661 -6.168 1.00 1.83 C ATOM 0 H LEU A 124 -3.938 -6.865 -6.250 1.00 0.38 H new ATOM 0 HA LEU A 124 -3.987 -9.089 -4.317 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.378 -8.691 -6.857 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.395 -10.133 -5.860 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.715 -9.025 -7.466 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -4.455 -11.117 -8.753 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -2.981 -10.121 -8.811 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -3.049 -11.550 -7.752 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -5.930 -11.049 -6.782 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.581 -11.491 -5.708 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.526 -10.017 -5.390 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.249 -7.811 -2.968 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.213 -7.142 -2.204 1.00 0.45 C ATOM 1981 C PHE A 125 -0.210 -8.121 -1.624 1.00 0.36 C ATOM 1982 O PHE A 125 -0.577 -9.192 -1.129 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.835 -6.354 -1.048 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.779 -5.264 -1.463 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -4.101 -5.551 -1.751 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.344 -3.956 -1.572 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.971 -4.556 -2.136 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -3.211 -2.957 -1.956 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.519 -3.246 -2.221 1.00 0.85 C ATOM 0 H PHE A 125 -3.025 -8.163 -2.408 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.695 -6.474 -2.893 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.368 -7.049 -0.399 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -1.034 -5.914 -0.454 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.455 -6.568 -1.673 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -1.314 -3.715 -1.354 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.998 -4.793 -2.370 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.855 -1.941 -2.048 1.00 1.05 H new ATOM 0 HZ PHE A 125 -5.202 -2.456 -2.497 1.00 0.85 H new ATOM 1999 N LEU A 126 1.059 -7.747 -1.689 1.00 0.36 N ATOM 2000 CA LEU A 126 2.099 -8.483 -1.012 1.00 0.49 C ATOM 2001 C LEU A 126 2.995 -7.478 -0.303 1.00 0.48 C ATOM 2002 O LEU A 126 3.659 -6.660 -0.944 1.00 0.49 O ATOM 2003 CB LEU A 126 2.896 -9.331 -2.019 1.00 0.68 C ATOM 2004 CG LEU A 126 3.655 -10.539 -1.446 1.00 1.22 C ATOM 2005 CD1 LEU A 126 4.211 -11.391 -2.576 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.786 -10.101 -0.525 1.00 1.96 C ATOM 0 H LEU A 126 1.388 -6.933 -2.208 1.00 0.36 H new ATOM 0 HA LEU A 126 1.671 -9.170 -0.282 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.207 -9.691 -2.783 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.615 -8.682 -2.519 1.00 0.68 H new ATOM 0 HG LEU A 126 2.950 -11.128 -0.859 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.747 -12.244 -2.159 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.392 -11.747 -3.200 1.00 1.98 H new ATOM 0 HD13 LEU A 126 4.894 -10.794 -3.180 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.301 -10.980 -0.138 1.00 1.96 H new ATOM 0 HD22 LEU A 126 5.491 -9.484 -1.082 1.00 1.96 H new ATOM 0 HD23 LEU A 126 4.377 -9.525 0.305 1.00 1.96 H new ATOM 2018 N PRO A 127 3.019 -7.515 1.027 1.00 0.54 N ATOM 2019 CA PRO A 127 3.847 -6.644 1.825 1.00 0.55 C ATOM 2020 C PRO A 127 5.037 -7.388 2.411 1.00 0.53 C ATOM 2021 O PRO A 127 4.900 -8.168 3.357 1.00 0.66 O ATOM 2022 CB PRO A 127 2.869 -6.236 2.934 1.00 0.72 C ATOM 2023 CG PRO A 127 1.843 -7.343 3.002 1.00 0.81 C ATOM 2024 CD PRO A 127 2.158 -8.316 1.886 1.00 0.68 C ATOM 0 HA PRO A 127 4.278 -5.813 1.267 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.384 -6.121 3.888 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.398 -5.279 2.708 1.00 0.72 H new ATOM 0 HG2 PRO A 127 1.880 -7.843 3.970 1.00 0.81 H new ATOM 0 HG3 PRO A 127 0.836 -6.941 2.889 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.663 -9.209 2.253 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.259 -8.649 1.368 1.00 0.68 H new ATOM 2032 N LEU A 128 6.211 -7.136 1.860 1.00 0.44 N ATOM 2033 CA LEU A 128 7.406 -7.855 2.291 1.00 0.46 C ATOM 2034 C LEU A 128 8.392 -6.907 2.958 1.00 0.39 C ATOM 2035 O LEU A 128 8.816 -5.928 2.357 1.00 0.39 O ATOM 2036 CB LEU A 128 8.078 -8.594 1.118 1.00 0.56 C ATOM 2037 CG LEU A 128 8.494 -7.735 -0.084 1.00 0.98 C ATOM 2038 CD1 LEU A 128 9.571 -8.446 -0.889 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.300 -7.434 -0.977 1.00 1.47 C ATOM 0 H LEU A 128 6.367 -6.449 1.122 1.00 0.44 H new ATOM 0 HA LEU A 128 7.093 -8.604 3.019 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.965 -9.102 1.498 1.00 0.56 H new ATOM 0 HB3 LEU A 128 7.395 -9.367 0.765 1.00 0.56 H new ATOM 0 HG LEU A 128 8.889 -6.793 0.295 1.00 0.98 H new ATOM 0 HD11 LEU A 128 9.858 -7.827 -1.739 1.00 1.34 H new ATOM 0 HD12 LEU A 128 10.442 -8.621 -0.257 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.186 -9.400 -1.249 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.622 -6.824 -1.821 1.00 1.47 H new ATOM 0 HD22 LEU A 128 6.876 -8.368 -1.345 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.545 -6.894 -0.406 1.00 1.47 H new ATOM 2051 N PRO A 129 8.801 -7.200 4.196 1.00 0.41 N ATOM 2052 CA PRO A 129 9.638 -6.295 4.983 1.00 0.40 C ATOM 2053 C PRO A 129 11.106 -6.433 4.615 1.00 0.48 C ATOM 2054 O PRO A 129 11.541 -7.491 4.149 1.00 0.55 O ATOM 2055 CB PRO A 129 9.376 -6.765 6.408 1.00 0.48 C ATOM 2056 CG PRO A 129 9.134 -8.231 6.279 1.00 0.68 C ATOM 2057 CD PRO A 129 8.480 -8.437 4.937 1.00 0.53 C ATOM 0 HA PRO A 129 9.409 -5.242 4.822 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.227 -6.559 7.057 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.514 -6.257 6.841 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.070 -8.786 6.345 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.492 -8.591 7.083 1.00 0.68 H new ATOM 0 HD2 PRO A 129 8.873 -9.319 4.432 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.403 -8.578 5.034 1.00 0.53 H new ATOM 2065 N VAL A 130 11.864 -5.355 4.792 1.00 0.56 N ATOM 2066 CA VAL A 130 13.222 -5.306 4.255 1.00 0.76 C ATOM 2067 C VAL A 130 14.137 -6.261 5.004 1.00 0.97 C ATOM 2068 O VAL A 130 14.052 -6.423 6.220 1.00 1.03 O ATOM 2069 CB VAL A 130 13.837 -3.889 4.277 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.172 -3.860 3.545 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.889 -2.867 3.674 1.00 1.36 C ATOM 0 H VAL A 130 11.569 -4.517 5.294 1.00 0.56 H new ATOM 0 HA VAL A 130 13.138 -5.611 3.212 1.00 0.76 H new ATOM 0 HB VAL A 130 14.007 -3.625 5.321 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.582 -2.851 3.576 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.866 -4.549 4.027 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.025 -4.160 2.507 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.351 -1.880 3.704 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.674 -3.136 2.640 1.00 1.36 H new ATOM 0 HG23 VAL A 130 11.961 -2.851 4.245 1.00 1.36 H new ATOM 2081 N SER A 131 15.027 -6.866 4.257 1.00 1.27 N ATOM 2082 CA SER A 131 15.885 -7.908 4.771 1.00 1.65 C ATOM 2083 C SER A 131 17.288 -7.380 5.010 1.00 1.86 C ATOM 2084 O SER A 131 17.685 -6.360 4.445 1.00 1.88 O ATOM 2085 CB SER A 131 15.916 -9.065 3.774 1.00 2.07 C ATOM 2086 OG SER A 131 16.073 -8.581 2.448 1.00 2.32 O ATOM 0 H SER A 131 15.178 -6.650 3.272 1.00 1.27 H new ATOM 0 HA SER A 131 15.492 -8.258 5.726 1.00 1.65 H new ATOM 0 HB2 SER A 131 16.735 -9.741 4.019 1.00 2.07 H new ATOM 0 HB3 SER A 131 14.994 -9.641 3.849 1.00 2.07 H new ATOM 0 HG SER A 131 17.021 -8.608 2.200 1.00 2.32 H new ATOM 2092 N SER A 132 18.029 -8.069 5.856 1.00 2.21 N ATOM 2093 CA SER A 132 19.421 -7.746 6.070 1.00 2.54 C ATOM 2094 C SER A 132 20.273 -8.619 5.166 1.00 3.02 C ATOM 2095 O SER A 132 20.725 -9.693 5.559 1.00 3.59 O ATOM 2096 CB SER A 132 19.798 -7.954 7.536 1.00 2.98 C ATOM 2097 OG SER A 132 18.997 -7.145 8.384 1.00 2.97 O ATOM 0 H SER A 132 17.687 -8.857 6.406 1.00 2.21 H new ATOM 0 HA SER A 132 19.595 -6.698 5.828 1.00 2.54 H new ATOM 0 HB2 SER A 132 19.672 -9.003 7.803 1.00 2.98 H new ATOM 0 HB3 SER A 132 20.850 -7.712 7.683 1.00 2.98 H new ATOM 0 HG SER A 132 19.355 -7.172 9.296 1.00 2.97 H new ATOM 2103 N ASP A 133 20.465 -8.152 3.943 1.00 3.06 N ATOM 2104 CA ASP A 133 21.208 -8.897 2.940 1.00 3.74 C ATOM 2105 C ASP A 133 22.697 -8.824 3.229 1.00 3.96 C ATOM 2106 O ASP A 133 23.300 -9.883 3.496 1.00 4.33 O ATOM 2107 CB ASP A 133 20.918 -8.355 1.536 1.00 3.99 C ATOM 2108 CG ASP A 133 19.578 -8.809 0.984 1.00 4.66 C ATOM 2109 OD1 ASP A 133 18.542 -8.235 1.386 1.00 5.00 O ATOM 2110 OD2 ASP A 133 19.545 -9.755 0.167 1.00 5.12 O ATOM 2111 OXT ASP A 133 23.251 -7.709 3.238 1.00 4.10 O ATOM 0 H ASP A 133 20.113 -7.251 3.619 1.00 3.06 H new ATOM 0 HA ASP A 133 20.889 -9.938 2.981 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.943 -7.266 1.562 1.00 3.99 H new ATOM 0 HB3 ASP A 133 21.710 -8.676 0.859 1.00 3.99 H new TER 2116 ASP A 133