USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 GLN : amide:sc= -0.58 K(o=0.061,f=-4.5!) USER MOD Set 1.2: A 102 SER OG : rot -67:sc= 0.642 USER MOD Set 2.1: A 101 ASN : amide:sc= 0.275 X(o=0.92,f=0.75) USER MOD Set 2.2: A 132 GLN : amide:sc= 0.648 X(o=0.92,f=0.75) USER MOD Set 3.1: A 95 THR OG1 : rot 145:sc= 1.01 USER MOD Set 3.2: A 128 ASN : amide:sc= 0.742 K(o=1.7,f=-7.1!) USER MOD Set 4.1: A 82 THR OG1 : rot 161:sc= 1.03 USER MOD Set 4.2: A 84 GLN : amide:sc= 1.09 K(o=2.1,f=0.86) USER MOD Set 5.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 94 TYR OH : rot -86:sc= 1.05 USER MOD Set 6.1: A 11 HIS : no HE2:sc= 2.12 K(o=3.4,f=-10!) USER MOD Set 6.2: A 123 TYR OH : rot -177:sc= 1.29 USER MOD Single : A 1 GLN : amide:sc= 1.08 K(o=1.1,f=-0.0043) USER MOD Single : A 1 GLN N :NH3+ -154:sc= 0 (180deg=-0.556) USER MOD Single : A 2 ASN : amide:sc= -1.02 K(o=-1,f=-2.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.36 K(o=-0.36,f=-2!) USER MOD Single : A 7 TYR OH : rot -117:sc= 0.304 USER MOD Single : A 12 ASN : amide:sc= 0.96 K(o=0.96,f=-0.0011) USER MOD Single : A 17 GLN : amide:sc= 1.13 K(o=1.1,f=-0.24) USER MOD Single : A 23 MET CE :methyl -116:sc= 0 (180deg=-0.0651) USER MOD Single : A 24 SER OG : rot 180:sc= 0.88 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -41:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= 1.58 K(o=1.6,f=-4.6!) USER MOD Single : A 35 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.28) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.3) USER MOD Single : A 39 SER OG : rot 31:sc= 0.648 USER MOD Single : A 45 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.4!) USER MOD Single : A 54 ASN : amide:sc= -3.34! C(o=-3.3!,f=-7.4!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.25) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 69 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.3) USER MOD Single : A 73 SER OG : rot -16:sc= 0.204 USER MOD Single : A 77 SER OG : rot -1:sc= 0.981 USER MOD Single : A 79 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.6!) USER MOD Single : A 80 TYR OH : rot 33:sc= 0.115 USER MOD Single : A 83 ASN : amide:sc= -0.191 K(o=-0.19,f=-3.5!) USER MOD Single : A 93 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.9!) USER MOD Single : A 120 SER OG : rot -144:sc= 0.013 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 135 TYR OH : rot 158:sc= 1.65 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -3.901 10.705 6.011 1.00 2.96 N ATOM 2 CA GLN A 1 -4.472 9.480 5.430 1.00 1.70 C ATOM 3 C GLN A 1 -3.389 8.538 4.906 1.00 1.43 C ATOM 4 O GLN A 1 -2.910 8.675 3.781 1.00 1.58 O ATOM 5 CB GLN A 1 -5.580 9.803 4.432 1.00 1.07 C ATOM 6 CG GLN A 1 -6.660 10.615 5.167 1.00 2.02 C ATOM 7 CD GLN A 1 -8.020 10.550 4.498 1.00 2.84 C ATOM 8 OE1 GLN A 1 -8.504 11.543 3.966 1.00 3.20 O ATOM 9 NE2 GLN A 1 -8.663 9.395 4.538 1.00 4.34 N ATOM 0 H1 GLN A 1 -4.558 11.093 6.718 1.00 2.96 H new ATOM 0 H2 GLN A 1 -2.993 10.482 6.467 1.00 2.96 H new ATOM 0 H3 GLN A 1 -3.748 11.407 5.259 1.00 2.96 H new ATOM 0 HA GLN A 1 -4.961 8.916 6.224 1.00 1.70 H new ATOM 0 HB2 GLN A 1 -5.182 10.371 3.591 1.00 1.07 H new ATOM 0 HB3 GLN A 1 -6.005 8.886 4.024 1.00 1.07 H new ATOM 0 HG2 GLN A 1 -6.748 10.247 6.189 1.00 2.02 H new ATOM 0 HG3 GLN A 1 -6.343 11.656 5.229 1.00 2.02 H new ATOM 0 HE21 GLN A 1 -8.233 8.587 4.988 1.00 4.34 H new ATOM 0 HE22 GLN A 1 -9.589 9.312 4.119 1.00 4.34 H new ATOM 20 N ASN A 2 -2.948 7.596 5.736 1.00 1.56 N ATOM 21 CA ASN A 2 -2.141 6.443 5.345 1.00 1.91 C ATOM 22 C ASN A 2 -2.354 5.351 6.387 1.00 1.87 C ATOM 23 O ASN A 2 -2.976 4.344 6.062 1.00 3.26 O ATOM 24 CB ASN A 2 -0.659 6.765 5.082 1.00 2.93 C ATOM 25 CG ASN A 2 -0.071 7.855 5.964 1.00 2.57 C ATOM 26 OD1 ASN A 2 0.666 7.597 6.907 1.00 3.37 O ATOM 27 ND2 ASN A 2 -0.315 9.109 5.601 1.00 2.43 N ATOM 0 H ASN A 2 -3.150 7.615 6.736 1.00 1.56 H new ATOM 0 HA ASN A 2 -2.479 6.091 4.370 1.00 1.91 H new ATOM 0 HB2 ASN A 2 -0.075 5.854 5.218 1.00 2.93 H new ATOM 0 HB3 ASN A 2 -0.547 7.063 4.039 1.00 2.93 H new ATOM 0 HD21 ASN A 2 0.115 9.880 6.111 1.00 2.43 H new ATOM 0 HD22 ASN A 2 -0.932 9.301 4.812 1.00 2.43 H new ATOM 34 N SER A 3 -1.968 5.595 7.645 1.00 1.45 N ATOM 35 CA SER A 3 -2.362 4.771 8.793 1.00 1.07 C ATOM 36 C SER A 3 -2.187 3.268 8.490 1.00 1.26 C ATOM 37 O SER A 3 -1.384 2.901 7.630 1.00 2.36 O ATOM 38 CB SER A 3 -3.803 5.184 9.190 1.00 1.09 C ATOM 39 OG SER A 3 -3.827 5.818 10.461 1.00 1.87 O ATOM 0 H SER A 3 -1.366 6.379 7.897 1.00 1.45 H new ATOM 0 HA SER A 3 -1.712 4.944 9.651 1.00 1.07 H new ATOM 0 HB2 SER A 3 -4.211 5.859 8.437 1.00 1.09 H new ATOM 0 HB3 SER A 3 -4.444 4.303 9.209 1.00 1.09 H new ATOM 0 HG SER A 3 -4.748 6.069 10.684 1.00 1.87 H new ATOM 45 N PRO A 4 -2.886 2.387 9.211 1.00 0.70 N ATOM 46 CA PRO A 4 -3.163 1.043 8.762 1.00 0.78 C ATOM 47 C PRO A 4 -4.486 1.084 7.993 1.00 0.52 C ATOM 48 O PRO A 4 -4.537 0.811 6.795 1.00 0.53 O ATOM 49 CB PRO A 4 -3.230 0.192 10.031 1.00 1.13 C ATOM 50 CG PRO A 4 -3.551 1.175 11.160 1.00 1.16 C ATOM 51 CD PRO A 4 -3.224 2.564 10.608 1.00 0.98 C ATOM 0 HA PRO A 4 -2.412 0.622 8.093 1.00 0.78 H new ATOM 0 HB2 PRO A 4 -3.998 -0.577 9.949 1.00 1.13 H new ATOM 0 HB3 PRO A 4 -2.285 -0.320 10.212 1.00 1.13 H new ATOM 0 HG2 PRO A 4 -4.599 1.107 11.452 1.00 1.16 H new ATOM 0 HG3 PRO A 4 -2.958 0.958 12.048 1.00 1.16 H new ATOM 0 HD2 PRO A 4 -4.076 3.235 10.718 1.00 0.98 H new ATOM 0 HD3 PRO A 4 -2.393 3.012 11.154 1.00 0.98 H new ATOM 59 N GLN A 5 -5.571 1.436 8.688 1.00 0.49 N ATOM 60 CA GLN A 5 -6.921 1.333 8.158 1.00 0.48 C ATOM 61 C GLN A 5 -7.195 2.276 6.979 1.00 0.57 C ATOM 62 O GLN A 5 -8.095 2.005 6.190 1.00 0.74 O ATOM 63 CB GLN A 5 -7.948 1.424 9.290 1.00 0.57 C ATOM 64 CG GLN A 5 -9.409 1.177 8.870 1.00 2.33 C ATOM 65 CD GLN A 5 -9.708 -0.202 8.271 1.00 3.97 C ATOM 66 OE1 GLN A 5 -9.162 -0.583 7.242 1.00 5.23 O ATOM 67 NE2 GLN A 5 -10.606 -0.962 8.882 1.00 4.89 N ATOM 0 H GLN A 5 -5.531 1.802 9.639 1.00 0.49 H new ATOM 0 HA GLN A 5 -7.026 0.344 7.712 1.00 0.48 H new ATOM 0 HB2 GLN A 5 -7.681 0.701 10.061 1.00 0.57 H new ATOM 0 HB3 GLN A 5 -7.879 2.413 9.743 1.00 0.57 H new ATOM 0 HG2 GLN A 5 -10.047 1.319 9.742 1.00 2.33 H new ATOM 0 HG3 GLN A 5 -9.691 1.937 8.142 1.00 2.33 H new ATOM 0 HE21 GLN A 5 -11.054 -0.634 9.738 1.00 4.89 H new ATOM 0 HE22 GLN A 5 -10.849 -1.874 8.496 1.00 4.89 H new ATOM 76 N ASP A 6 -6.466 3.383 6.815 1.00 0.61 N ATOM 77 CA ASP A 6 -6.666 4.217 5.629 1.00 0.77 C ATOM 78 C ASP A 6 -6.228 3.433 4.387 1.00 0.82 C ATOM 79 O ASP A 6 -6.942 3.431 3.387 1.00 1.00 O ATOM 80 CB ASP A 6 -5.966 5.583 5.722 1.00 0.99 C ATOM 81 CG ASP A 6 -6.684 6.596 6.586 1.00 1.17 C ATOM 82 OD1 ASP A 6 -6.644 6.430 7.822 1.00 2.23 O ATOM 83 OD2 ASP A 6 -7.147 7.617 6.039 1.00 1.88 O ATOM 0 H ASP A 6 -5.754 3.715 7.466 1.00 0.61 H new ATOM 0 HA ASP A 6 -7.728 4.451 5.556 1.00 0.77 H new ATOM 0 HB2 ASP A 6 -4.960 5.436 6.115 1.00 0.99 H new ATOM 0 HB3 ASP A 6 -5.859 5.992 4.717 1.00 0.99 H new ATOM 88 N TYR A 7 -5.084 2.735 4.428 1.00 0.69 N ATOM 89 CA TYR A 7 -4.768 1.802 3.352 1.00 0.67 C ATOM 90 C TYR A 7 -5.803 0.676 3.317 1.00 0.68 C ATOM 91 O TYR A 7 -6.401 0.403 2.272 1.00 0.71 O ATOM 92 CB TYR A 7 -3.365 1.197 3.507 1.00 0.59 C ATOM 93 CG TYR A 7 -2.217 2.124 3.170 1.00 0.69 C ATOM 94 CD1 TYR A 7 -1.866 2.363 1.828 1.00 1.94 C ATOM 95 CD2 TYR A 7 -1.390 2.609 4.195 1.00 2.05 C ATOM 96 CE1 TYR A 7 -0.747 3.151 1.525 1.00 2.23 C ATOM 97 CE2 TYR A 7 -0.229 3.336 3.890 1.00 2.12 C ATOM 98 CZ TYR A 7 0.071 3.634 2.556 1.00 1.39 C ATOM 99 OH TYR A 7 1.081 4.490 2.269 1.00 1.87 O ATOM 0 H TYR A 7 -4.387 2.798 5.170 1.00 0.69 H new ATOM 0 HA TYR A 7 -4.791 2.364 2.418 1.00 0.67 H new ATOM 0 HB2 TYR A 7 -3.246 0.858 4.536 1.00 0.59 H new ATOM 0 HB3 TYR A 7 -3.296 0.315 2.871 1.00 0.59 H new ATOM 0 HD1 TYR A 7 -2.459 1.939 1.031 1.00 1.94 H new ATOM 0 HD2 TYR A 7 -1.649 2.421 5.227 1.00 2.05 H new ATOM 0 HE1 TYR A 7 -0.515 3.386 0.497 1.00 2.23 H new ATOM 0 HE2 TYR A 7 0.430 3.664 4.681 1.00 2.12 H new ATOM 0 HH TYR A 7 1.938 4.072 2.494 1.00 1.87 H new ATOM 109 N LEU A 8 -5.948 -0.049 4.429 1.00 0.59 N ATOM 110 CA LEU A 8 -6.706 -1.293 4.443 1.00 0.49 C ATOM 111 C LEU A 8 -8.138 -1.086 3.960 1.00 0.45 C ATOM 112 O LEU A 8 -8.626 -1.915 3.200 1.00 0.51 O ATOM 113 CB LEU A 8 -6.669 -1.981 5.817 1.00 0.34 C ATOM 114 CG LEU A 8 -5.553 -3.023 5.952 1.00 0.40 C ATOM 115 CD1 LEU A 8 -5.439 -3.482 7.408 1.00 0.40 C ATOM 116 CD2 LEU A 8 -5.827 -4.275 5.115 1.00 0.58 C ATOM 0 H LEU A 8 -5.548 0.209 5.331 1.00 0.59 H new ATOM 0 HA LEU A 8 -6.217 -1.966 3.739 1.00 0.49 H new ATOM 0 HB2 LEU A 8 -6.542 -1.223 6.590 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -7.629 -2.464 5.998 1.00 0.34 H new ATOM 0 HG LEU A 8 -4.639 -2.542 5.605 1.00 0.40 H new ATOM 0 HD11 LEU A 8 -4.644 -4.222 7.495 1.00 0.40 H new ATOM 0 HD12 LEU A 8 -5.209 -2.626 8.042 1.00 0.40 H new ATOM 0 HD13 LEU A 8 -6.383 -3.925 7.725 1.00 0.40 H new ATOM 0 HD21 LEU A 8 -5.009 -4.984 5.243 1.00 0.58 H new ATOM 0 HD22 LEU A 8 -6.760 -4.734 5.442 1.00 0.58 H new ATOM 0 HD23 LEU A 8 -5.907 -3.999 4.063 1.00 0.58 H new ATOM 128 N ALA A 9 -8.802 -0.003 4.355 1.00 0.39 N ATOM 129 CA ALA A 9 -10.170 0.298 3.959 1.00 0.36 C ATOM 130 C ALA A 9 -10.344 0.173 2.447 1.00 0.30 C ATOM 131 O ALA A 9 -11.215 -0.557 1.976 1.00 0.32 O ATOM 132 CB ALA A 9 -10.549 1.700 4.438 1.00 0.42 C ATOM 0 H ALA A 9 -8.395 0.701 4.970 1.00 0.39 H new ATOM 0 HA ALA A 9 -10.837 -0.427 4.426 1.00 0.36 H new ATOM 0 HB1 ALA A 9 -11.574 1.922 4.140 1.00 0.42 H new ATOM 0 HB2 ALA A 9 -10.469 1.748 5.524 1.00 0.42 H new ATOM 0 HB3 ALA A 9 -9.875 2.431 3.992 1.00 0.42 H new ATOM 138 N VAL A 10 -9.508 0.860 1.672 1.00 0.27 N ATOM 139 CA VAL A 10 -9.660 0.873 0.225 1.00 0.26 C ATOM 140 C VAL A 10 -9.399 -0.531 -0.346 1.00 0.25 C ATOM 141 O VAL A 10 -10.088 -0.973 -1.264 1.00 0.25 O ATOM 142 CB VAL A 10 -8.765 1.956 -0.400 1.00 0.33 C ATOM 143 CG1 VAL A 10 -9.071 2.100 -1.899 1.00 0.41 C ATOM 144 CG2 VAL A 10 -8.954 3.333 0.254 1.00 0.35 C ATOM 0 H VAL A 10 -8.724 1.411 2.022 1.00 0.27 H new ATOM 0 HA VAL A 10 -10.686 1.134 -0.035 1.00 0.26 H new ATOM 0 HB VAL A 10 -7.737 1.631 -0.237 1.00 0.33 H new ATOM 0 HG11 VAL A 10 -8.430 2.870 -2.329 1.00 0.41 H new ATOM 0 HG12 VAL A 10 -8.884 1.151 -2.401 1.00 0.41 H new ATOM 0 HG13 VAL A 10 -10.116 2.382 -2.032 1.00 0.41 H new ATOM 0 HG21 VAL A 10 -8.297 4.058 -0.227 1.00 0.35 H new ATOM 0 HG22 VAL A 10 -9.990 3.651 0.140 1.00 0.35 H new ATOM 0 HG23 VAL A 10 -8.709 3.269 1.314 1.00 0.35 H new ATOM 154 N HIS A 11 -8.423 -1.264 0.201 1.00 0.25 N ATOM 155 CA HIS A 11 -8.199 -2.645 -0.220 1.00 0.26 C ATOM 156 C HIS A 11 -9.437 -3.492 0.062 1.00 0.30 C ATOM 157 O HIS A 11 -9.867 -4.280 -0.776 1.00 0.37 O ATOM 158 CB HIS A 11 -6.997 -3.268 0.496 1.00 0.27 C ATOM 159 CG HIS A 11 -5.672 -2.677 0.112 1.00 0.36 C ATOM 160 ND1 HIS A 11 -5.148 -1.492 0.566 1.00 0.53 N ATOM 161 CD2 HIS A 11 -4.732 -3.271 -0.684 1.00 0.47 C ATOM 162 CE1 HIS A 11 -3.918 -1.371 0.045 1.00 0.67 C ATOM 163 NE2 HIS A 11 -3.623 -2.425 -0.733 1.00 0.61 N ATOM 0 H HIS A 11 -7.787 -0.928 0.924 1.00 0.25 H new ATOM 0 HA HIS A 11 -7.995 -2.626 -1.290 1.00 0.26 H new ATOM 0 HB2 HIS A 11 -7.133 -3.157 1.572 1.00 0.27 H new ATOM 0 HB3 HIS A 11 -6.979 -4.337 0.286 1.00 0.27 H new ATOM 0 HD1 HIS A 11 -5.609 -0.826 1.186 1.00 0.53 H new ATOM 0 HD2 HIS A 11 -4.830 -4.223 -1.184 1.00 0.47 H new ATOM 0 HE1 HIS A 11 -3.255 -0.538 0.227 1.00 0.67 H new ATOM 171 N ASN A 12 -9.983 -3.348 1.268 1.00 0.35 N ATOM 172 CA ASN A 12 -11.164 -4.063 1.720 1.00 0.46 C ATOM 173 C ASN A 12 -12.307 -3.769 0.763 1.00 0.38 C ATOM 174 O ASN A 12 -12.991 -4.698 0.353 1.00 0.43 O ATOM 175 CB ASN A 12 -11.540 -3.684 3.161 1.00 0.65 C ATOM 176 CG ASN A 12 -10.817 -4.536 4.196 1.00 0.81 C ATOM 177 OD1 ASN A 12 -11.409 -5.413 4.816 1.00 2.02 O ATOM 178 ND2 ASN A 12 -9.531 -4.314 4.421 1.00 1.02 N ATOM 0 H ASN A 12 -9.603 -2.714 1.971 1.00 0.35 H new ATOM 0 HA ASN A 12 -10.953 -5.132 1.724 1.00 0.46 H new ATOM 0 HB2 ASN A 12 -11.303 -2.634 3.330 1.00 0.65 H new ATOM 0 HB3 ASN A 12 -12.616 -3.793 3.293 1.00 0.65 H new ATOM 0 HD21 ASN A 12 -9.030 -4.873 5.112 1.00 1.02 H new ATOM 0 HD22 ASN A 12 -9.041 -3.584 3.904 1.00 1.02 H new ATOM 185 N ASP A 13 -12.477 -2.498 0.379 1.00 0.36 N ATOM 186 CA ASP A 13 -13.313 -2.130 -0.758 1.00 0.37 C ATOM 187 C ASP A 13 -13.061 -2.978 -1.986 1.00 0.45 C ATOM 188 O ASP A 13 -13.897 -3.793 -2.342 1.00 0.64 O ATOM 189 CB ASP A 13 -13.222 -0.640 -1.114 1.00 0.46 C ATOM 190 CG ASP A 13 -14.541 0.019 -1.437 1.00 0.70 C ATOM 191 OD1 ASP A 13 -15.546 -0.679 -1.672 1.00 1.77 O ATOM 192 OD2 ASP A 13 -14.536 1.258 -1.580 1.00 1.86 O ATOM 0 H ASP A 13 -12.040 -1.704 0.847 1.00 0.36 H new ATOM 0 HA ASP A 13 -14.330 -2.332 -0.422 1.00 0.37 H new ATOM 0 HB2 ASP A 13 -12.762 -0.110 -0.280 1.00 0.46 H new ATOM 0 HB3 ASP A 13 -12.557 -0.526 -1.970 1.00 0.46 H new ATOM 197 N ALA A 14 -11.928 -2.781 -2.656 1.00 0.37 N ATOM 198 CA ALA A 14 -11.668 -3.413 -3.943 1.00 0.42 C ATOM 199 C ALA A 14 -11.924 -4.920 -3.862 1.00 0.44 C ATOM 200 O ALA A 14 -12.620 -5.496 -4.693 1.00 0.58 O ATOM 201 CB ALA A 14 -10.235 -3.105 -4.371 1.00 0.44 C ATOM 0 H ALA A 14 -11.171 -2.183 -2.324 1.00 0.37 H new ATOM 0 HA ALA A 14 -12.348 -3.013 -4.695 1.00 0.42 H new ATOM 0 HB1 ALA A 14 -10.034 -3.575 -5.334 1.00 0.44 H new ATOM 0 HB2 ALA A 14 -10.106 -2.026 -4.460 1.00 0.44 H new ATOM 0 HB3 ALA A 14 -9.541 -3.493 -3.625 1.00 0.44 H new ATOM 207 N ARG A 15 -11.389 -5.559 -2.825 1.00 0.41 N ATOM 208 CA ARG A 15 -11.594 -6.976 -2.598 1.00 0.47 C ATOM 209 C ARG A 15 -13.087 -7.282 -2.411 1.00 0.55 C ATOM 210 O ARG A 15 -13.599 -8.198 -3.048 1.00 0.61 O ATOM 211 CB ARG A 15 -10.659 -7.464 -1.476 1.00 0.51 C ATOM 212 CG ARG A 15 -9.214 -7.359 -1.997 1.00 0.47 C ATOM 213 CD ARG A 15 -8.107 -7.754 -1.008 1.00 0.83 C ATOM 214 NE ARG A 15 -7.461 -9.025 -1.382 1.00 1.44 N ATOM 215 CZ ARG A 15 -7.006 -9.967 -0.543 1.00 2.04 C ATOM 216 NH1 ARG A 15 -6.909 -9.707 0.758 1.00 2.63 N ATOM 217 NH2 ARG A 15 -6.680 -11.165 -1.015 1.00 3.14 N ATOM 0 H ARG A 15 -10.804 -5.105 -2.123 1.00 0.41 H new ATOM 0 HA ARG A 15 -11.311 -7.559 -3.475 1.00 0.47 H new ATOM 0 HB2 ARG A 15 -10.788 -6.858 -0.579 1.00 0.51 H new ATOM 0 HB3 ARG A 15 -10.894 -8.493 -1.202 1.00 0.51 H new ATOM 0 HG2 ARG A 15 -9.123 -7.988 -2.883 1.00 0.47 H new ATOM 0 HG3 ARG A 15 -9.038 -6.332 -2.316 1.00 0.47 H new ATOM 0 HD2 ARG A 15 -7.357 -6.964 -0.969 1.00 0.83 H new ATOM 0 HD3 ARG A 15 -8.530 -7.843 -0.007 1.00 0.83 H new ATOM 0 HE ARG A 15 -7.349 -9.206 -2.379 1.00 1.44 H new ATOM 0 HH11 ARG A 15 -7.181 -8.792 1.117 1.00 2.63 H new ATOM 0 HH12 ARG A 15 -6.563 -10.423 1.397 1.00 2.63 H new ATOM 0 HH21 ARG A 15 -6.776 -11.364 -2.011 1.00 3.14 H new ATOM 0 HH22 ARG A 15 -6.333 -11.886 -0.382 1.00 3.14 H new ATOM 231 N ALA A 16 -13.820 -6.491 -1.625 1.00 0.55 N ATOM 232 CA ALA A 16 -15.272 -6.605 -1.519 1.00 0.59 C ATOM 233 C ALA A 16 -15.930 -6.542 -2.904 1.00 0.61 C ATOM 234 O ALA A 16 -16.754 -7.401 -3.232 1.00 0.73 O ATOM 235 CB ALA A 16 -15.841 -5.522 -0.588 1.00 0.61 C ATOM 0 H ALA A 16 -13.421 -5.753 -1.044 1.00 0.55 H new ATOM 0 HA ALA A 16 -15.503 -7.577 -1.083 1.00 0.59 H new ATOM 0 HB1 ALA A 16 -16.924 -5.628 -0.526 1.00 0.61 H new ATOM 0 HB2 ALA A 16 -15.408 -5.632 0.406 1.00 0.61 H new ATOM 0 HB3 ALA A 16 -15.595 -4.536 -0.983 1.00 0.61 H new ATOM 241 N GLN A 17 -15.566 -5.549 -3.722 1.00 0.55 N ATOM 242 CA GLN A 17 -16.153 -5.311 -5.033 1.00 0.59 C ATOM 243 C GLN A 17 -16.171 -6.603 -5.852 1.00 0.67 C ATOM 244 O GLN A 17 -17.233 -7.019 -6.315 1.00 1.20 O ATOM 245 CB GLN A 17 -15.461 -4.163 -5.791 1.00 0.62 C ATOM 246 CG GLN A 17 -15.499 -2.780 -5.113 1.00 1.05 C ATOM 247 CD GLN A 17 -16.904 -2.249 -4.849 1.00 1.87 C ATOM 248 OE1 GLN A 17 -17.813 -2.457 -5.648 1.00 2.96 O ATOM 249 NE2 GLN A 17 -17.120 -1.567 -3.732 1.00 2.43 N ATOM 0 H GLN A 17 -14.838 -4.877 -3.480 1.00 0.55 H new ATOM 0 HA GLN A 17 -17.183 -4.989 -4.877 1.00 0.59 H new ATOM 0 HB2 GLN A 17 -14.418 -4.438 -5.951 1.00 0.62 H new ATOM 0 HB3 GLN A 17 -15.922 -4.075 -6.775 1.00 0.62 H new ATOM 0 HG2 GLN A 17 -14.961 -2.837 -4.167 1.00 1.05 H new ATOM 0 HG3 GLN A 17 -14.965 -2.066 -5.740 1.00 1.05 H new ATOM 0 HE21 GLN A 17 -16.354 -1.403 -3.079 1.00 2.43 H new ATOM 0 HE22 GLN A 17 -18.052 -1.207 -3.527 1.00 2.43 H new ATOM 258 N VAL A 18 -15.026 -7.275 -5.966 1.00 0.47 N ATOM 259 CA VAL A 18 -14.887 -8.526 -6.714 1.00 0.52 C ATOM 260 C VAL A 18 -15.037 -9.783 -5.839 1.00 0.60 C ATOM 261 O VAL A 18 -14.813 -10.898 -6.312 1.00 0.80 O ATOM 262 CB VAL A 18 -13.558 -8.521 -7.475 1.00 0.54 C ATOM 263 CG1 VAL A 18 -13.639 -7.616 -8.710 1.00 0.63 C ATOM 264 CG2 VAL A 18 -12.394 -8.096 -6.589 1.00 0.52 C ATOM 0 H VAL A 18 -14.156 -6.962 -5.536 1.00 0.47 H new ATOM 0 HA VAL A 18 -15.712 -8.576 -7.425 1.00 0.52 H new ATOM 0 HB VAL A 18 -13.373 -9.545 -7.798 1.00 0.54 H new ATOM 0 HG11 VAL A 18 -12.683 -7.629 -9.234 1.00 0.63 H new ATOM 0 HG12 VAL A 18 -14.423 -7.978 -9.376 1.00 0.63 H new ATOM 0 HG13 VAL A 18 -13.869 -6.597 -8.400 1.00 0.63 H new ATOM 0 HG21 VAL A 18 -11.472 -8.107 -7.170 1.00 0.52 H new ATOM 0 HG22 VAL A 18 -12.573 -7.089 -6.211 1.00 0.52 H new ATOM 0 HG23 VAL A 18 -12.303 -8.787 -5.751 1.00 0.52 H new ATOM 274 N GLY A 19 -15.434 -9.632 -4.576 1.00 0.62 N ATOM 275 CA GLY A 19 -15.725 -10.751 -3.690 1.00 0.66 C ATOM 276 C GLY A 19 -14.486 -11.603 -3.420 1.00 0.70 C ATOM 277 O GLY A 19 -14.585 -12.819 -3.272 1.00 0.90 O ATOM 0 H GLY A 19 -15.563 -8.720 -4.138 1.00 0.62 H new ATOM 0 HA2 GLY A 19 -16.118 -10.374 -2.746 1.00 0.66 H new ATOM 0 HA3 GLY A 19 -16.503 -11.372 -4.134 1.00 0.66 H new ATOM 281 N VAL A 20 -13.319 -10.965 -3.345 1.00 0.69 N ATOM 282 CA VAL A 20 -12.085 -11.565 -2.873 1.00 0.70 C ATOM 283 C VAL A 20 -11.992 -11.294 -1.374 1.00 0.73 C ATOM 284 O VAL A 20 -12.581 -10.331 -0.878 1.00 0.68 O ATOM 285 CB VAL A 20 -10.890 -10.992 -3.646 1.00 0.72 C ATOM 286 CG1 VAL A 20 -9.595 -11.679 -3.204 1.00 0.93 C ATOM 287 CG2 VAL A 20 -11.050 -11.213 -5.154 1.00 0.64 C ATOM 0 H VAL A 20 -13.209 -9.989 -3.620 1.00 0.69 H new ATOM 0 HA VAL A 20 -12.073 -12.641 -3.044 1.00 0.70 H new ATOM 0 HB VAL A 20 -10.849 -9.924 -3.434 1.00 0.72 H new ATOM 0 HG11 VAL A 20 -8.755 -11.263 -3.760 1.00 0.93 H new ATOM 0 HG12 VAL A 20 -9.441 -11.514 -2.137 1.00 0.93 H new ATOM 0 HG13 VAL A 20 -9.666 -12.749 -3.399 1.00 0.93 H new ATOM 0 HG21 VAL A 20 -10.189 -10.797 -5.676 1.00 0.64 H new ATOM 0 HG22 VAL A 20 -11.118 -12.281 -5.360 1.00 0.64 H new ATOM 0 HG23 VAL A 20 -11.958 -10.718 -5.500 1.00 0.64 H new ATOM 297 N GLY A 21 -11.323 -12.169 -0.631 1.00 0.88 N ATOM 298 CA GLY A 21 -11.251 -12.055 0.811 1.00 0.90 C ATOM 299 C GLY A 21 -10.434 -10.826 1.197 1.00 0.84 C ATOM 300 O GLY A 21 -9.647 -10.339 0.389 1.00 0.87 O ATOM 0 H GLY A 21 -10.820 -12.970 -1.013 1.00 0.88 H new ATOM 0 HA2 GLY A 21 -12.255 -11.980 1.229 1.00 0.90 H new ATOM 0 HA3 GLY A 21 -10.796 -12.951 1.233 1.00 0.90 H new ATOM 304 N PRO A 22 -10.586 -10.320 2.424 1.00 0.87 N ATOM 305 CA PRO A 22 -9.781 -9.226 2.930 1.00 0.91 C ATOM 306 C PRO A 22 -8.395 -9.742 3.341 1.00 0.86 C ATOM 307 O PRO A 22 -8.010 -10.866 3.002 1.00 0.96 O ATOM 308 CB PRO A 22 -10.596 -8.668 4.103 1.00 1.03 C ATOM 309 CG PRO A 22 -11.307 -9.909 4.648 1.00 1.04 C ATOM 310 CD PRO A 22 -11.587 -10.730 3.390 1.00 0.95 C ATOM 0 HA PRO A 22 -9.583 -8.445 2.196 1.00 0.91 H new ATOM 0 HB2 PRO A 22 -9.957 -8.206 4.855 1.00 1.03 H new ATOM 0 HB3 PRO A 22 -11.305 -7.907 3.776 1.00 1.03 H new ATOM 0 HG2 PRO A 22 -10.681 -10.455 5.354 1.00 1.04 H new ATOM 0 HG3 PRO A 22 -12.227 -9.649 5.172 1.00 1.04 H new ATOM 0 HD2 PRO A 22 -11.518 -11.798 3.596 1.00 0.95 H new ATOM 0 HD3 PRO A 22 -12.593 -10.542 3.015 1.00 0.95 H new ATOM 318 N MET A 23 -7.623 -8.894 4.018 1.00 0.82 N ATOM 319 CA MET A 23 -6.290 -9.173 4.542 1.00 0.80 C ATOM 320 C MET A 23 -6.258 -8.737 6.012 1.00 0.80 C ATOM 321 O MET A 23 -7.312 -8.421 6.570 1.00 1.10 O ATOM 322 CB MET A 23 -5.233 -8.442 3.688 1.00 0.81 C ATOM 323 CG MET A 23 -5.602 -6.991 3.351 1.00 1.08 C ATOM 324 SD MET A 23 -6.275 -6.680 1.703 1.00 1.42 S ATOM 325 CE MET A 23 -4.825 -6.983 0.669 1.00 1.30 C ATOM 0 H MET A 23 -7.928 -7.943 4.226 1.00 0.82 H new ATOM 0 HA MET A 23 -6.057 -10.237 4.491 1.00 0.80 H new ATOM 0 HB2 MET A 23 -4.281 -8.451 4.219 1.00 0.81 H new ATOM 0 HB3 MET A 23 -5.085 -8.994 2.760 1.00 0.81 H new ATOM 0 HG2 MET A 23 -6.330 -6.647 4.085 1.00 1.08 H new ATOM 0 HG3 MET A 23 -4.710 -6.377 3.475 1.00 1.08 H new ATOM 0 HE1 MET A 23 -4.539 -6.060 0.164 1.00 1.30 H new ATOM 0 HE2 MET A 23 -3.999 -7.327 1.292 1.00 1.30 H new ATOM 0 HE3 MET A 23 -5.061 -7.745 -0.074 1.00 1.30 H new ATOM 335 N SER A 24 -5.086 -8.694 6.641 1.00 0.72 N ATOM 336 CA SER A 24 -4.878 -8.005 7.909 1.00 0.62 C ATOM 337 C SER A 24 -3.716 -7.025 7.744 1.00 0.42 C ATOM 338 O SER A 24 -3.222 -6.859 6.630 1.00 0.53 O ATOM 339 CB SER A 24 -4.740 -9.027 9.056 1.00 0.90 C ATOM 340 OG SER A 24 -3.410 -9.213 9.511 1.00 0.91 O ATOM 0 H SER A 24 -4.245 -9.143 6.279 1.00 0.72 H new ATOM 0 HA SER A 24 -5.740 -7.402 8.194 1.00 0.62 H new ATOM 0 HB2 SER A 24 -5.357 -8.702 9.894 1.00 0.90 H new ATOM 0 HB3 SER A 24 -5.136 -9.986 8.723 1.00 0.90 H new ATOM 0 HG SER A 24 -3.402 -9.871 10.237 1.00 0.91 H new ATOM 346 N TRP A 25 -3.314 -6.364 8.830 1.00 0.41 N ATOM 347 CA TRP A 25 -2.187 -5.447 8.844 1.00 0.39 C ATOM 348 C TRP A 25 -0.967 -6.189 9.378 1.00 0.56 C ATOM 349 O TRP A 25 -0.864 -6.438 10.584 1.00 1.34 O ATOM 350 CB TRP A 25 -2.475 -4.241 9.741 1.00 0.48 C ATOM 351 CG TRP A 25 -1.483 -3.138 9.548 1.00 0.52 C ATOM 352 CD1 TRP A 25 -0.544 -2.718 10.425 1.00 0.63 C ATOM 353 CD2 TRP A 25 -1.291 -2.341 8.347 1.00 0.44 C ATOM 354 NE1 TRP A 25 0.143 -1.651 9.880 1.00 0.68 N ATOM 355 CE2 TRP A 25 -0.286 -1.365 8.600 1.00 0.56 C ATOM 356 CE3 TRP A 25 -1.877 -2.347 7.068 1.00 0.41 C ATOM 357 CZ2 TRP A 25 0.054 -0.384 7.656 1.00 0.58 C ATOM 358 CZ3 TRP A 25 -1.508 -1.407 6.098 1.00 0.46 C ATOM 359 CH2 TRP A 25 -0.601 -0.379 6.411 1.00 0.50 C ATOM 0 H TRP A 25 -3.773 -6.456 9.736 1.00 0.41 H new ATOM 0 HA TRP A 25 -2.008 -5.087 7.831 1.00 0.39 H new ATOM 0 HB2 TRP A 25 -3.477 -3.866 9.531 1.00 0.48 H new ATOM 0 HB3 TRP A 25 -2.465 -4.557 10.784 1.00 0.48 H new ATOM 0 HD1 TRP A 25 -0.360 -3.149 11.398 1.00 0.63 H new ATOM 0 HE1 TRP A 25 0.878 -1.137 10.365 1.00 0.68 H new ATOM 0 HE3 TRP A 25 -2.624 -3.089 6.830 1.00 0.41 H new ATOM 0 HZ2 TRP A 25 0.807 0.356 7.882 1.00 0.58 H new ATOM 0 HZ3 TRP A 25 -1.923 -1.472 5.103 1.00 0.46 H new ATOM 0 HH2 TRP A 25 -0.408 0.410 5.699 1.00 0.50 H new ATOM 370 N ASP A 26 -0.034 -6.540 8.508 1.00 0.48 N ATOM 371 CA ASP A 26 1.236 -7.126 8.875 1.00 0.53 C ATOM 372 C ASP A 26 2.180 -5.993 9.232 1.00 0.70 C ATOM 373 O ASP A 26 2.755 -5.323 8.375 1.00 1.29 O ATOM 374 CB ASP A 26 1.806 -8.050 7.790 1.00 0.60 C ATOM 375 CG ASP A 26 0.984 -8.096 6.527 1.00 2.72 C ATOM 376 OD1 ASP A 26 -0.178 -8.552 6.618 1.00 3.91 O ATOM 377 OD2 ASP A 26 1.505 -7.712 5.472 1.00 4.04 O ATOM 0 H ASP A 26 -0.146 -6.420 7.501 1.00 0.48 H new ATOM 0 HA ASP A 26 1.099 -7.779 9.737 1.00 0.53 H new ATOM 0 HB2 ASP A 26 2.815 -7.722 7.542 1.00 0.60 H new ATOM 0 HB3 ASP A 26 1.889 -9.059 8.194 1.00 0.60 H new ATOM 382 N ALA A 27 2.391 -5.807 10.530 1.00 0.54 N ATOM 383 CA ALA A 27 3.255 -4.761 11.040 1.00 0.64 C ATOM 384 C ALA A 27 4.691 -5.011 10.575 1.00 0.55 C ATOM 385 O ALA A 27 5.439 -4.064 10.348 1.00 0.56 O ATOM 386 CB ALA A 27 3.154 -4.715 12.566 1.00 0.90 C ATOM 0 H ALA A 27 1.964 -6.382 11.257 1.00 0.54 H new ATOM 0 HA ALA A 27 2.942 -3.792 10.653 1.00 0.64 H new ATOM 0 HB1 ALA A 27 3.804 -3.929 12.950 1.00 0.90 H new ATOM 0 HB2 ALA A 27 2.124 -4.509 12.856 1.00 0.90 H new ATOM 0 HB3 ALA A 27 3.463 -5.675 12.980 1.00 0.90 H new ATOM 392 N ASN A 28 5.084 -6.271 10.384 1.00 0.55 N ATOM 393 CA ASN A 28 6.400 -6.572 9.829 1.00 0.57 C ATOM 394 C ASN A 28 6.498 -6.041 8.412 1.00 0.51 C ATOM 395 O ASN A 28 7.426 -5.309 8.089 1.00 0.57 O ATOM 396 CB ASN A 28 6.675 -8.081 9.803 1.00 0.65 C ATOM 397 CG ASN A 28 7.388 -8.537 11.061 1.00 0.98 C ATOM 398 OD1 ASN A 28 8.560 -8.900 11.035 1.00 2.21 O ATOM 399 ND2 ASN A 28 6.700 -8.516 12.189 1.00 1.80 N ATOM 0 H ASN A 28 4.516 -7.089 10.603 1.00 0.55 H new ATOM 0 HA ASN A 28 7.139 -6.092 10.471 1.00 0.57 H new ATOM 0 HB2 ASN A 28 5.734 -8.622 9.700 1.00 0.65 H new ATOM 0 HB3 ASN A 28 7.281 -8.327 8.931 1.00 0.65 H new ATOM 0 HD21 ASN A 28 7.142 -8.805 13.062 1.00 1.80 H new ATOM 0 HD22 ASN A 28 5.727 -8.211 12.187 1.00 1.80 H new ATOM 406 N LEU A 29 5.551 -6.399 7.555 1.00 0.43 N ATOM 407 CA LEU A 29 5.598 -5.978 6.168 1.00 0.36 C ATOM 408 C LEU A 29 5.511 -4.458 6.078 1.00 0.34 C ATOM 409 O LEU A 29 6.198 -3.856 5.260 1.00 0.35 O ATOM 410 CB LEU A 29 4.518 -6.716 5.381 1.00 0.49 C ATOM 411 CG LEU A 29 4.974 -8.176 5.187 1.00 0.79 C ATOM 412 CD1 LEU A 29 3.864 -9.219 5.160 1.00 1.52 C ATOM 413 CD2 LEU A 29 5.646 -8.268 3.830 1.00 0.53 C ATOM 0 H LEU A 29 4.746 -6.977 7.798 1.00 0.43 H new ATOM 0 HA LEU A 29 6.551 -6.245 5.711 1.00 0.36 H new ATOM 0 HB2 LEU A 29 3.569 -6.682 5.915 1.00 0.49 H new ATOM 0 HB3 LEU A 29 4.357 -6.237 4.415 1.00 0.49 H new ATOM 0 HG LEU A 29 5.609 -8.396 6.045 1.00 0.79 H new ATOM 0 HD11 LEU A 29 4.298 -10.209 5.019 1.00 1.52 H new ATOM 0 HD12 LEU A 29 3.318 -9.194 6.103 1.00 1.52 H new ATOM 0 HD13 LEU A 29 3.181 -9.002 4.339 1.00 1.52 H new ATOM 0 HD21 LEU A 29 5.982 -9.291 3.659 1.00 0.53 H new ATOM 0 HD22 LEU A 29 4.936 -7.985 3.053 1.00 0.53 H new ATOM 0 HD23 LEU A 29 6.503 -7.595 3.802 1.00 0.53 H new ATOM 425 N ALA A 30 4.741 -3.820 6.961 1.00 0.36 N ATOM 426 CA ALA A 30 4.724 -2.370 7.057 1.00 0.36 C ATOM 427 C ALA A 30 6.125 -1.858 7.397 1.00 0.37 C ATOM 428 O ALA A 30 6.625 -0.945 6.741 1.00 0.38 O ATOM 429 CB ALA A 30 3.673 -1.917 8.072 1.00 0.42 C ATOM 0 H ALA A 30 4.121 -4.292 7.619 1.00 0.36 H new ATOM 0 HA ALA A 30 4.442 -1.940 6.096 1.00 0.36 H new ATOM 0 HB1 ALA A 30 3.672 -0.829 8.133 1.00 0.42 H new ATOM 0 HB2 ALA A 30 2.689 -2.264 7.756 1.00 0.42 H new ATOM 0 HB3 ALA A 30 3.908 -2.335 9.051 1.00 0.42 H new ATOM 435 N SER A 31 6.785 -2.462 8.391 1.00 0.43 N ATOM 436 CA SER A 31 8.122 -2.071 8.785 1.00 0.49 C ATOM 437 C SER A 31 9.083 -2.202 7.595 1.00 0.46 C ATOM 438 O SER A 31 9.868 -1.297 7.325 1.00 0.50 O ATOM 439 CB SER A 31 8.528 -2.814 10.075 1.00 0.60 C ATOM 440 OG SER A 31 9.093 -4.103 9.917 1.00 0.93 O ATOM 0 H SER A 31 6.400 -3.232 8.937 1.00 0.43 H new ATOM 0 HA SER A 31 8.165 -1.015 9.052 1.00 0.49 H new ATOM 0 HB2 SER A 31 9.243 -2.193 10.614 1.00 0.60 H new ATOM 0 HB3 SER A 31 7.645 -2.905 10.707 1.00 0.60 H new ATOM 0 HG SER A 31 8.608 -4.589 9.218 1.00 0.93 H new ATOM 446 N ARG A 32 8.991 -3.309 6.852 1.00 0.46 N ATOM 447 CA ARG A 32 9.701 -3.534 5.607 1.00 0.53 C ATOM 448 C ARG A 32 9.460 -2.400 4.618 1.00 0.45 C ATOM 449 O ARG A 32 10.412 -1.789 4.146 1.00 0.49 O ATOM 450 CB ARG A 32 9.241 -4.874 5.008 1.00 0.67 C ATOM 451 CG ARG A 32 10.371 -5.649 4.337 1.00 0.76 C ATOM 452 CD ARG A 32 11.251 -6.338 5.383 1.00 1.94 C ATOM 453 NE ARG A 32 12.412 -5.515 5.780 1.00 3.13 N ATOM 454 CZ ARG A 32 12.682 -5.029 7.002 1.00 4.54 C ATOM 455 NH1 ARG A 32 11.827 -5.198 8.010 1.00 5.26 N ATOM 456 NH2 ARG A 32 13.815 -4.359 7.203 1.00 5.65 N ATOM 0 H ARG A 32 8.398 -4.095 7.117 1.00 0.46 H new ATOM 0 HA ARG A 32 10.771 -3.566 5.811 1.00 0.53 H new ATOM 0 HB2 ARG A 32 8.806 -5.488 5.797 1.00 0.67 H new ATOM 0 HB3 ARG A 32 8.453 -4.688 4.278 1.00 0.67 H new ATOM 0 HG2 ARG A 32 9.955 -6.393 3.658 1.00 0.76 H new ATOM 0 HG3 ARG A 32 10.976 -4.971 3.735 1.00 0.76 H new ATOM 0 HD2 ARG A 32 10.652 -6.563 6.265 1.00 1.94 H new ATOM 0 HD3 ARG A 32 11.604 -7.290 4.986 1.00 1.94 H new ATOM 0 HE ARG A 32 13.082 -5.291 5.044 1.00 3.13 H new ATOM 0 HH11 ARG A 32 10.953 -5.702 7.859 1.00 5.26 H new ATOM 0 HH12 ARG A 32 12.046 -4.823 8.933 1.00 5.26 H new ATOM 0 HH21 ARG A 32 14.468 -4.219 6.432 1.00 5.65 H new ATOM 0 HH22 ARG A 32 14.030 -3.986 8.128 1.00 5.65 H new ATOM 470 N ALA A 33 8.200 -2.128 4.289 1.00 0.40 N ATOM 471 CA ALA A 33 7.832 -1.149 3.285 1.00 0.39 C ATOM 472 C ALA A 33 8.411 0.211 3.662 1.00 0.38 C ATOM 473 O ALA A 33 9.029 0.884 2.836 1.00 0.42 O ATOM 474 CB ALA A 33 6.308 -1.096 3.165 1.00 0.41 C ATOM 0 H ALA A 33 7.400 -2.590 4.721 1.00 0.40 H new ATOM 0 HA ALA A 33 8.241 -1.432 2.315 1.00 0.39 H new ATOM 0 HB1 ALA A 33 6.028 -0.361 2.411 1.00 0.41 H new ATOM 0 HB2 ALA A 33 5.932 -2.077 2.873 1.00 0.41 H new ATOM 0 HB3 ALA A 33 5.877 -0.813 4.125 1.00 0.41 H new ATOM 480 N GLN A 34 8.211 0.603 4.919 1.00 0.40 N ATOM 481 CA GLN A 34 8.738 1.835 5.473 1.00 0.45 C ATOM 482 C GLN A 34 10.262 1.863 5.312 1.00 0.43 C ATOM 483 O GLN A 34 10.814 2.832 4.802 1.00 0.45 O ATOM 484 CB GLN A 34 8.301 1.944 6.943 1.00 0.58 C ATOM 485 CG GLN A 34 8.554 3.334 7.543 1.00 0.86 C ATOM 486 CD GLN A 34 7.710 4.412 6.876 1.00 1.09 C ATOM 487 OE1 GLN A 34 6.593 4.157 6.432 1.00 2.42 O ATOM 488 NE2 GLN A 34 8.216 5.628 6.775 1.00 1.19 N ATOM 0 H GLN A 34 7.667 0.058 5.588 1.00 0.40 H new ATOM 0 HA GLN A 34 8.344 2.700 4.940 1.00 0.45 H new ATOM 0 HB2 GLN A 34 7.239 1.709 7.019 1.00 0.58 H new ATOM 0 HB3 GLN A 34 8.835 1.198 7.531 1.00 0.58 H new ATOM 0 HG2 GLN A 34 8.335 3.312 8.610 1.00 0.86 H new ATOM 0 HG3 GLN A 34 9.609 3.586 7.439 1.00 0.86 H new ATOM 0 HE21 GLN A 34 9.144 5.827 7.148 1.00 1.19 H new ATOM 0 HE22 GLN A 34 7.678 6.368 6.324 1.00 1.19 H new ATOM 497 N ASN A 35 10.944 0.802 5.736 1.00 0.47 N ATOM 498 CA ASN A 35 12.400 0.686 5.688 1.00 0.55 C ATOM 499 C ASN A 35 12.924 0.794 4.260 1.00 0.54 C ATOM 500 O ASN A 35 13.860 1.545 4.001 1.00 0.63 O ATOM 501 CB ASN A 35 12.843 -0.650 6.307 1.00 0.68 C ATOM 502 CG ASN A 35 13.213 -0.519 7.780 1.00 0.91 C ATOM 503 OD1 ASN A 35 12.706 0.335 8.505 1.00 1.63 O ATOM 504 ND2 ASN A 35 14.141 -1.341 8.244 1.00 2.05 N ATOM 0 H ASN A 35 10.489 -0.021 6.132 1.00 0.47 H new ATOM 0 HA ASN A 35 12.819 1.512 6.264 1.00 0.55 H new ATOM 0 HB2 ASN A 35 12.040 -1.379 6.201 1.00 0.68 H new ATOM 0 HB3 ASN A 35 13.699 -1.036 5.754 1.00 0.68 H new ATOM 0 HD21 ASN A 35 14.445 -1.271 9.215 1.00 2.05 H new ATOM 0 HD22 ASN A 35 14.552 -2.044 7.630 1.00 2.05 H new ATOM 511 N TYR A 36 12.345 0.044 3.327 1.00 0.54 N ATOM 512 CA TYR A 36 12.724 0.065 1.923 1.00 0.62 C ATOM 513 C TYR A 36 12.557 1.482 1.377 1.00 0.58 C ATOM 514 O TYR A 36 13.462 2.046 0.759 1.00 0.65 O ATOM 515 CB TYR A 36 11.860 -0.937 1.144 1.00 0.70 C ATOM 516 CG TYR A 36 12.094 -0.908 -0.354 1.00 0.78 C ATOM 517 CD1 TYR A 36 13.363 -1.228 -0.868 1.00 2.08 C ATOM 518 CD2 TYR A 36 11.075 -0.482 -1.226 1.00 1.92 C ATOM 519 CE1 TYR A 36 13.621 -1.092 -2.242 1.00 2.21 C ATOM 520 CE2 TYR A 36 11.330 -0.356 -2.603 1.00 2.18 C ATOM 521 CZ TYR A 36 12.603 -0.669 -3.109 1.00 1.54 C ATOM 522 OH TYR A 36 12.868 -0.539 -4.436 1.00 2.02 O ATOM 0 H TYR A 36 11.586 -0.606 3.532 1.00 0.54 H new ATOM 0 HA TYR A 36 13.768 -0.227 1.810 1.00 0.62 H new ATOM 0 HB2 TYR A 36 12.061 -1.942 1.515 1.00 0.70 H new ATOM 0 HB3 TYR A 36 10.809 -0.728 1.343 1.00 0.70 H new ATOM 0 HD1 TYR A 36 14.140 -1.579 -0.205 1.00 2.08 H new ATOM 0 HD2 TYR A 36 10.094 -0.251 -0.837 1.00 1.92 H new ATOM 0 HE1 TYR A 36 14.604 -1.313 -2.631 1.00 2.21 H new ATOM 0 HE2 TYR A 36 10.550 -0.020 -3.270 1.00 2.18 H new ATOM 0 HH TYR A 36 12.060 -0.239 -4.903 1.00 2.02 H new ATOM 532 N ALA A 37 11.382 2.064 1.616 1.00 0.53 N ATOM 533 CA ALA A 37 11.090 3.420 1.195 1.00 0.55 C ATOM 534 C ALA A 37 12.131 4.390 1.762 1.00 0.54 C ATOM 535 O ALA A 37 12.635 5.261 1.059 1.00 0.67 O ATOM 536 CB ALA A 37 9.662 3.785 1.616 1.00 0.56 C ATOM 0 H ALA A 37 10.614 1.605 2.105 1.00 0.53 H new ATOM 0 HA ALA A 37 11.149 3.494 0.109 1.00 0.55 H new ATOM 0 HB1 ALA A 37 9.439 4.804 1.301 1.00 0.56 H new ATOM 0 HB2 ALA A 37 8.958 3.098 1.147 1.00 0.56 H new ATOM 0 HB3 ALA A 37 9.572 3.713 2.700 1.00 0.56 H new ATOM 542 N ASN A 38 12.451 4.236 3.042 1.00 0.49 N ATOM 543 CA ASN A 38 13.393 5.070 3.777 1.00 0.52 C ATOM 544 C ASN A 38 14.797 4.959 3.205 1.00 0.59 C ATOM 545 O ASN A 38 15.479 5.966 3.017 1.00 0.73 O ATOM 546 CB ASN A 38 13.401 4.666 5.256 1.00 0.57 C ATOM 547 CG ASN A 38 12.380 5.410 6.105 1.00 0.77 C ATOM 548 OD1 ASN A 38 11.587 6.207 5.611 1.00 1.64 O ATOM 549 ND2 ASN A 38 12.407 5.197 7.411 1.00 1.21 N ATOM 0 H ASN A 38 12.045 3.498 3.618 1.00 0.49 H new ATOM 0 HA ASN A 38 13.071 6.107 3.681 1.00 0.52 H new ATOM 0 HB2 ASN A 38 13.210 3.595 5.331 1.00 0.57 H new ATOM 0 HB3 ASN A 38 14.396 4.842 5.665 1.00 0.57 H new ATOM 0 HD21 ASN A 38 11.763 5.698 8.023 1.00 1.21 H new ATOM 0 HD22 ASN A 38 13.072 4.532 7.806 1.00 1.21 H new ATOM 556 N SER A 39 15.280 3.741 2.978 1.00 0.62 N ATOM 557 CA SER A 39 16.617 3.550 2.447 1.00 0.74 C ATOM 558 C SER A 39 16.718 4.252 1.092 1.00 0.86 C ATOM 559 O SER A 39 17.654 5.028 0.880 1.00 1.23 O ATOM 560 CB SER A 39 16.985 2.064 2.401 1.00 0.89 C ATOM 561 OG SER A 39 15.862 1.265 2.083 1.00 1.68 O ATOM 0 H SER A 39 14.765 2.878 3.154 1.00 0.62 H new ATOM 0 HA SER A 39 17.355 4.006 3.107 1.00 0.74 H new ATOM 0 HB2 SER A 39 17.769 1.904 1.661 1.00 0.89 H new ATOM 0 HB3 SER A 39 17.390 1.758 3.365 1.00 0.89 H new ATOM 0 HG SER A 39 15.253 1.771 1.505 1.00 1.68 H new ATOM 567 N ARG A 40 15.733 4.058 0.212 1.00 0.83 N ATOM 568 CA ARG A 40 15.747 4.739 -1.073 1.00 1.09 C ATOM 569 C ARG A 40 15.336 6.202 -0.931 1.00 1.16 C ATOM 570 O ARG A 40 14.238 6.579 -1.331 1.00 1.83 O ATOM 571 CB ARG A 40 14.883 4.037 -2.122 1.00 1.35 C ATOM 572 CG ARG A 40 15.254 2.577 -2.370 1.00 1.52 C ATOM 573 CD ARG A 40 14.804 2.133 -3.769 1.00 1.56 C ATOM 574 NE ARG A 40 15.610 2.761 -4.837 1.00 1.96 N ATOM 575 CZ ARG A 40 16.421 2.139 -5.710 1.00 2.89 C ATOM 576 NH1 ARG A 40 16.714 0.849 -5.574 1.00 3.44 N ATOM 577 NH2 ARG A 40 16.924 2.825 -6.732 1.00 3.74 N ATOM 0 H ARG A 40 14.932 3.446 0.366 1.00 0.83 H new ATOM 0 HA ARG A 40 16.777 4.701 -1.428 1.00 1.09 H new ATOM 0 HB2 ARG A 40 13.840 4.086 -1.808 1.00 1.35 H new ATOM 0 HB3 ARG A 40 14.959 4.583 -3.062 1.00 1.35 H new ATOM 0 HG2 ARG A 40 16.332 2.449 -2.272 1.00 1.52 H new ATOM 0 HG3 ARG A 40 14.787 1.945 -1.615 1.00 1.52 H new ATOM 0 HD2 ARG A 40 14.881 1.049 -3.847 1.00 1.56 H new ATOM 0 HD3 ARG A 40 13.754 2.389 -3.910 1.00 1.56 H new ATOM 0 HE ARG A 40 15.544 3.775 -4.921 1.00 1.96 H new ATOM 0 HH11 ARG A 40 16.321 0.316 -4.798 1.00 3.44 H new ATOM 0 HH12 ARG A 40 17.331 0.393 -6.246 1.00 3.44 H new ATOM 0 HH21 ARG A 40 16.693 3.812 -6.847 1.00 3.74 H new ATOM 0 HH22 ARG A 40 17.541 2.364 -7.401 1.00 3.74 H new ATOM 591 N ALA A 41 16.216 7.049 -0.399 1.00 1.52 N ATOM 592 CA ALA A 41 15.971 8.479 -0.273 1.00 1.60 C ATOM 593 C ALA A 41 17.014 9.263 -1.056 1.00 1.64 C ATOM 594 O ALA A 41 17.898 9.912 -0.498 1.00 2.88 O ATOM 595 CB ALA A 41 15.858 8.865 1.206 1.00 1.74 C ATOM 0 H ALA A 41 17.125 6.756 -0.041 1.00 1.52 H new ATOM 0 HA ALA A 41 15.013 8.743 -0.720 1.00 1.60 H new ATOM 0 HB1 ALA A 41 15.675 9.936 1.289 1.00 1.74 H new ATOM 0 HB2 ALA A 41 15.032 8.319 1.662 1.00 1.74 H new ATOM 0 HB3 ALA A 41 16.786 8.615 1.719 1.00 1.74 H new ATOM 601 N GLY A 42 16.878 9.193 -2.375 1.00 1.52 N ATOM 602 CA GLY A 42 17.744 9.856 -3.334 1.00 1.72 C ATOM 603 C GLY A 42 17.585 9.179 -4.685 1.00 1.49 C ATOM 604 O GLY A 42 17.464 9.829 -5.722 1.00 1.96 O ATOM 0 H GLY A 42 16.135 8.653 -2.818 1.00 1.52 H new ATOM 0 HA2 GLY A 42 17.486 10.912 -3.408 1.00 1.72 H new ATOM 0 HA3 GLY A 42 18.782 9.803 -3.005 1.00 1.72 H new ATOM 608 N ASP A 43 17.492 7.855 -4.653 1.00 1.25 N ATOM 609 CA ASP A 43 17.373 6.978 -5.807 1.00 1.71 C ATOM 610 C ASP A 43 16.004 6.319 -5.728 1.00 2.04 C ATOM 611 O ASP A 43 15.811 5.171 -6.119 1.00 3.55 O ATOM 612 CB ASP A 43 18.512 5.944 -5.793 1.00 2.08 C ATOM 613 CG ASP A 43 18.437 4.942 -4.655 1.00 3.24 C ATOM 614 OD1 ASP A 43 17.699 5.183 -3.679 1.00 3.91 O ATOM 615 OD2 ASP A 43 19.150 3.920 -4.753 1.00 4.44 O ATOM 0 H ASP A 43 17.498 7.339 -3.773 1.00 1.25 H new ATOM 0 HA ASP A 43 17.458 7.529 -6.744 1.00 1.71 H new ATOM 0 HB2 ASP A 43 18.506 5.402 -6.739 1.00 2.08 H new ATOM 0 HB3 ASP A 43 19.464 6.471 -5.734 1.00 2.08 H new ATOM 620 N CYS A 44 15.037 7.059 -5.200 1.00 1.20 N ATOM 621 CA CYS A 44 13.730 6.546 -4.847 1.00 1.32 C ATOM 622 C CYS A 44 12.927 6.296 -6.098 1.00 1.11 C ATOM 623 O CYS A 44 12.443 5.187 -6.303 1.00 2.12 O ATOM 624 CB CYS A 44 13.073 7.482 -3.840 1.00 1.74 C ATOM 625 SG CYS A 44 11.786 8.584 -4.416 1.00 1.88 S ATOM 0 H CYS A 44 15.147 8.054 -5.003 1.00 1.20 H new ATOM 0 HA CYS A 44 13.804 5.579 -4.350 1.00 1.32 H new ATOM 0 HB2 CYS A 44 12.653 6.869 -3.042 1.00 1.74 H new ATOM 0 HB3 CYS A 44 13.858 8.093 -3.393 1.00 1.74 H new ATOM 630 N ASN A 45 12.947 7.278 -6.998 1.00 1.77 N ATOM 631 CA ASN A 45 12.566 7.071 -8.395 1.00 2.26 C ATOM 632 C ASN A 45 11.267 6.244 -8.463 1.00 2.24 C ATOM 633 O ASN A 45 10.299 6.658 -7.820 1.00 3.49 O ATOM 634 CB ASN A 45 13.801 6.493 -9.115 1.00 2.66 C ATOM 635 CG ASN A 45 14.890 7.562 -9.243 1.00 3.59 C ATOM 636 OD1 ASN A 45 14.603 8.760 -9.264 1.00 4.62 O ATOM 637 ND2 ASN A 45 16.156 7.182 -9.273 1.00 3.96 N ATOM 0 H ASN A 45 13.226 8.235 -6.781 1.00 1.77 H new ATOM 0 HA ASN A 45 12.306 7.988 -8.924 1.00 2.26 H new ATOM 0 HB2 ASN A 45 14.186 5.637 -8.561 1.00 2.66 H new ATOM 0 HB3 ASN A 45 13.518 6.132 -10.104 1.00 2.66 H new ATOM 0 HD21 ASN A 45 16.898 7.881 -9.314 1.00 3.96 H new ATOM 0 HD22 ASN A 45 16.391 6.190 -9.256 1.00 3.96 H new ATOM 644 N LEU A 46 11.237 5.102 -9.158 1.00 1.67 N ATOM 645 CA LEU A 46 10.271 4.015 -8.979 1.00 1.42 C ATOM 646 C LEU A 46 10.989 2.694 -9.237 1.00 1.54 C ATOM 647 O LEU A 46 11.251 2.369 -10.395 1.00 2.17 O ATOM 648 CB LEU A 46 9.101 4.117 -9.967 1.00 1.49 C ATOM 649 CG LEU A 46 8.039 5.137 -9.566 1.00 1.40 C ATOM 650 CD1 LEU A 46 6.989 5.251 -10.671 1.00 1.88 C ATOM 651 CD2 LEU A 46 7.326 4.723 -8.270 1.00 1.22 C ATOM 0 H LEU A 46 11.916 4.902 -9.893 1.00 1.67 H new ATOM 0 HA LEU A 46 9.873 4.077 -7.966 1.00 1.42 H new ATOM 0 HB2 LEU A 46 9.491 4.381 -10.950 1.00 1.49 H new ATOM 0 HB3 LEU A 46 8.632 3.138 -10.062 1.00 1.49 H new ATOM 0 HG LEU A 46 8.542 6.091 -9.409 1.00 1.40 H new ATOM 0 HD11 LEU A 46 6.233 5.980 -10.380 1.00 1.88 H new ATOM 0 HD12 LEU A 46 7.468 5.573 -11.596 1.00 1.88 H new ATOM 0 HD13 LEU A 46 6.517 4.281 -10.826 1.00 1.88 H new ATOM 0 HD21 LEU A 46 6.576 5.471 -8.012 1.00 1.22 H new ATOM 0 HD22 LEU A 46 6.841 3.757 -8.414 1.00 1.22 H new ATOM 0 HD23 LEU A 46 8.054 4.647 -7.463 1.00 1.22 H new ATOM 718 N ALA A 51 8.867 -9.009 -6.167 1.00 2.18 N ATOM 719 CA ALA A 51 7.483 -9.157 -6.599 1.00 1.59 C ATOM 720 C ALA A 51 6.586 -9.039 -5.366 1.00 1.26 C ATOM 721 O ALA A 51 7.039 -9.302 -4.254 1.00 2.34 O ATOM 722 CB ALA A 51 7.296 -10.514 -7.282 1.00 1.79 C ATOM 0 HA ALA A 51 7.219 -8.382 -7.318 1.00 1.59 H new ATOM 0 HB1 ALA A 51 6.260 -10.620 -7.603 1.00 1.79 H new ATOM 0 HB2 ALA A 51 7.953 -10.578 -8.149 1.00 1.79 H new ATOM 0 HB3 ALA A 51 7.542 -11.311 -6.581 1.00 1.79 H new ATOM 728 N GLY A 52 5.317 -8.674 -5.548 1.00 0.97 N ATOM 729 CA GLY A 52 4.417 -8.399 -4.436 1.00 0.75 C ATOM 730 C GLY A 52 4.183 -6.901 -4.272 1.00 0.90 C ATOM 731 O GLY A 52 3.061 -6.477 -4.022 1.00 2.01 O ATOM 0 H GLY A 52 4.889 -8.562 -6.467 1.00 0.97 H new ATOM 0 HA2 GLY A 52 3.465 -8.902 -4.603 1.00 0.75 H new ATOM 0 HA3 GLY A 52 4.836 -8.807 -3.516 1.00 0.75 H new ATOM 735 N GLU A 53 5.190 -6.054 -4.458 1.00 0.77 N ATOM 736 CA GLU A 53 5.085 -4.709 -3.928 1.00 0.66 C ATOM 737 C GLU A 53 4.307 -3.829 -4.894 1.00 0.70 C ATOM 738 O GLU A 53 4.470 -3.946 -6.109 1.00 1.08 O ATOM 739 CB GLU A 53 6.474 -4.104 -3.700 1.00 0.78 C ATOM 740 CG GLU A 53 7.381 -5.027 -2.878 1.00 1.53 C ATOM 741 CD GLU A 53 8.166 -6.029 -3.713 1.00 2.87 C ATOM 742 OE1 GLU A 53 7.861 -6.161 -4.919 1.00 3.90 O ATOM 743 OE2 GLU A 53 9.087 -6.662 -3.159 1.00 3.69 O ATOM 0 H GLU A 53 6.056 -6.267 -4.953 1.00 0.77 H new ATOM 0 HA GLU A 53 4.561 -4.760 -2.973 1.00 0.66 H new ATOM 0 HB2 GLU A 53 6.942 -3.901 -4.663 1.00 0.78 H new ATOM 0 HB3 GLU A 53 6.372 -3.147 -3.187 1.00 0.78 H new ATOM 0 HG2 GLU A 53 8.082 -4.417 -2.308 1.00 1.53 H new ATOM 0 HG3 GLU A 53 6.771 -5.570 -2.156 1.00 1.53 H new ATOM 750 N ASN A 54 3.465 -2.946 -4.376 1.00 0.53 N ATOM 751 CA ASN A 54 2.916 -1.846 -5.157 1.00 0.57 C ATOM 752 C ASN A 54 3.565 -0.577 -4.624 1.00 0.50 C ATOM 753 O ASN A 54 3.938 -0.532 -3.453 1.00 0.79 O ATOM 754 CB ASN A 54 1.392 -1.805 -5.059 1.00 0.82 C ATOM 755 CG ASN A 54 0.800 -0.942 -6.167 1.00 1.48 C ATOM 756 OD1 ASN A 54 1.501 -0.223 -6.874 1.00 2.68 O ATOM 757 ND2 ASN A 54 -0.498 -1.042 -6.371 1.00 2.06 N ATOM 0 H ASN A 54 3.144 -2.971 -3.408 1.00 0.53 H new ATOM 0 HA ASN A 54 3.133 -1.964 -6.219 1.00 0.57 H new ATOM 0 HB2 ASN A 54 0.992 -2.817 -5.127 1.00 0.82 H new ATOM 0 HB3 ASN A 54 1.096 -1.410 -4.087 1.00 0.82 H new ATOM 0 HD21 ASN A 54 -0.937 -0.517 -7.127 1.00 2.06 H new ATOM 0 HD22 ASN A 54 -1.063 -1.645 -5.773 1.00 2.06 H new ATOM 764 N LEU A 55 3.768 0.415 -5.481 1.00 0.41 N ATOM 765 CA LEU A 55 4.442 1.656 -5.150 1.00 0.37 C ATOM 766 C LEU A 55 3.519 2.794 -5.579 1.00 0.40 C ATOM 767 O LEU A 55 2.773 2.643 -6.553 1.00 0.45 O ATOM 768 CB LEU A 55 5.768 1.770 -5.915 1.00 0.49 C ATOM 769 CG LEU A 55 6.658 0.512 -5.958 1.00 0.66 C ATOM 770 CD1 LEU A 55 7.809 0.762 -6.939 1.00 0.90 C ATOM 771 CD2 LEU A 55 7.236 0.123 -4.589 1.00 0.79 C ATOM 0 H LEU A 55 3.458 0.374 -6.452 1.00 0.41 H new ATOM 0 HA LEU A 55 4.660 1.694 -4.083 1.00 0.37 H new ATOM 0 HB2 LEU A 55 5.544 2.062 -6.941 1.00 0.49 H new ATOM 0 HB3 LEU A 55 6.347 2.580 -5.472 1.00 0.49 H new ATOM 0 HG LEU A 55 6.029 -0.319 -6.277 1.00 0.66 H new ATOM 0 HD11 LEU A 55 8.449 -0.119 -6.981 1.00 0.90 H new ATOM 0 HD12 LEU A 55 7.404 0.965 -7.931 1.00 0.90 H new ATOM 0 HD13 LEU A 55 8.393 1.619 -6.604 1.00 0.90 H new ATOM 0 HD21 LEU A 55 7.852 -0.770 -4.694 1.00 0.79 H new ATOM 0 HD22 LEU A 55 7.846 0.941 -4.206 1.00 0.79 H new ATOM 0 HD23 LEU A 55 6.421 -0.078 -3.894 1.00 0.79 H new ATOM 783 N ALA A 56 3.589 3.942 -4.917 1.00 0.47 N ATOM 784 CA ALA A 56 2.977 5.173 -5.381 1.00 0.50 C ATOM 785 C ALA A 56 3.845 6.344 -4.948 1.00 0.58 C ATOM 786 O ALA A 56 4.413 6.329 -3.854 1.00 0.71 O ATOM 787 CB ALA A 56 1.577 5.311 -4.795 1.00 0.56 C ATOM 0 H ALA A 56 4.081 4.042 -4.029 1.00 0.47 H new ATOM 0 HA ALA A 56 2.896 5.160 -6.468 1.00 0.50 H new ATOM 0 HB1 ALA A 56 1.124 6.238 -5.148 1.00 0.56 H new ATOM 0 HB2 ALA A 56 0.966 4.465 -5.110 1.00 0.56 H new ATOM 0 HB3 ALA A 56 1.638 5.329 -3.707 1.00 0.56 H new ATOM 793 N LYS A 57 3.957 7.354 -5.800 1.00 0.69 N ATOM 794 CA LYS A 57 4.631 8.604 -5.511 1.00 0.67 C ATOM 795 C LYS A 57 3.741 9.753 -5.962 1.00 0.77 C ATOM 796 O LYS A 57 2.830 9.562 -6.768 1.00 1.14 O ATOM 797 CB LYS A 57 6.007 8.649 -6.198 1.00 0.98 C ATOM 798 CG LYS A 57 5.899 8.602 -7.727 1.00 1.33 C ATOM 799 CD LYS A 57 7.211 8.208 -8.411 1.00 2.30 C ATOM 800 CE LYS A 57 8.299 9.285 -8.468 1.00 2.96 C ATOM 801 NZ LYS A 57 9.290 9.159 -7.381 1.00 4.73 N ATOM 0 H LYS A 57 3.567 7.320 -6.742 1.00 0.69 H new ATOM 0 HA LYS A 57 4.808 8.693 -4.439 1.00 0.67 H new ATOM 0 HB2 LYS A 57 6.529 9.559 -5.901 1.00 0.98 H new ATOM 0 HB3 LYS A 57 6.610 7.809 -5.853 1.00 0.98 H new ATOM 0 HG2 LYS A 57 5.122 7.891 -8.008 1.00 1.33 H new ATOM 0 HG3 LYS A 57 5.585 9.579 -8.093 1.00 1.33 H new ATOM 0 HD2 LYS A 57 7.618 7.338 -7.895 1.00 2.30 H new ATOM 0 HD3 LYS A 57 6.985 7.897 -9.431 1.00 2.30 H new ATOM 0 HE2 LYS A 57 8.811 9.226 -9.428 1.00 2.96 H new ATOM 0 HE3 LYS A 57 7.832 10.269 -8.415 1.00 2.96 H new ATOM 0 HZ1 LYS A 57 10.089 9.800 -7.563 1.00 4.73 H new ATOM 0 HZ2 LYS A 57 8.845 9.409 -6.475 1.00 4.73 H new ATOM 0 HZ3 LYS A 57 9.635 8.179 -7.338 1.00 4.73 H new ATOM 815 N GLY A 58 4.042 10.944 -5.468 1.00 0.78 N ATOM 816 CA GLY A 58 3.393 12.168 -5.875 1.00 1.21 C ATOM 817 C GLY A 58 3.833 13.260 -4.916 1.00 0.77 C ATOM 818 O GLY A 58 4.297 12.962 -3.813 1.00 1.84 O ATOM 0 H GLY A 58 4.761 11.083 -4.758 1.00 0.78 H new ATOM 0 HA2 GLY A 58 3.666 12.424 -6.899 1.00 1.21 H new ATOM 0 HA3 GLY A 58 2.309 12.053 -5.853 1.00 1.21 H new ATOM 822 N GLY A 59 3.750 14.512 -5.347 1.00 1.49 N ATOM 823 CA GLY A 59 4.143 15.654 -4.550 1.00 1.29 C ATOM 824 C GLY A 59 2.971 16.184 -3.749 1.00 1.40 C ATOM 825 O GLY A 59 1.924 15.535 -3.648 1.00 2.91 O ATOM 0 H GLY A 59 3.402 14.760 -6.273 1.00 1.49 H new ATOM 0 HA2 GLY A 59 4.951 15.371 -3.876 1.00 1.29 H new ATOM 0 HA3 GLY A 59 4.530 16.440 -5.199 1.00 1.29 H new ATOM 829 N GLY A 60 3.171 17.357 -3.155 1.00 1.32 N ATOM 830 CA GLY A 60 2.248 17.892 -2.178 1.00 1.45 C ATOM 831 C GLY A 60 2.224 16.960 -0.971 1.00 1.45 C ATOM 832 O GLY A 60 3.266 16.425 -0.593 1.00 2.35 O ATOM 0 H GLY A 60 3.976 17.956 -3.341 1.00 1.32 H new ATOM 0 HA2 GLY A 60 2.554 18.894 -1.877 1.00 1.45 H new ATOM 0 HA3 GLY A 60 1.250 17.980 -2.608 1.00 1.45 H new ATOM 836 N ASP A 61 1.046 16.745 -0.394 1.00 1.52 N ATOM 837 CA ASP A 61 0.788 15.961 0.806 1.00 1.70 C ATOM 838 C ASP A 61 0.177 14.605 0.447 1.00 1.40 C ATOM 839 O ASP A 61 -0.745 14.137 1.110 1.00 1.61 O ATOM 840 CB ASP A 61 -0.166 16.756 1.708 1.00 2.25 C ATOM 841 CG ASP A 61 -1.544 16.917 1.109 1.00 2.43 C ATOM 842 OD1 ASP A 61 -1.608 17.250 -0.094 1.00 2.67 O ATOM 843 OD2 ASP A 61 -2.532 16.775 1.861 1.00 3.16 O ATOM 0 H ASP A 61 0.189 17.141 -0.780 1.00 1.52 H new ATOM 0 HA ASP A 61 1.725 15.772 1.329 1.00 1.70 H new ATOM 0 HB2 ASP A 61 -0.251 16.253 2.671 1.00 2.25 H new ATOM 0 HB3 ASP A 61 0.259 17.741 1.899 1.00 2.25 H new ATOM 848 N PHE A 62 0.698 13.970 -0.603 1.00 1.14 N ATOM 849 CA PHE A 62 0.122 12.761 -1.180 1.00 0.88 C ATOM 850 C PHE A 62 -0.075 11.667 -0.120 1.00 0.80 C ATOM 851 O PHE A 62 0.780 11.484 0.753 1.00 1.23 O ATOM 852 CB PHE A 62 1.041 12.285 -2.307 1.00 0.87 C ATOM 853 CG PHE A 62 0.596 11.029 -3.022 1.00 0.76 C ATOM 854 CD1 PHE A 62 -0.666 10.972 -3.640 1.00 1.48 C ATOM 855 CD2 PHE A 62 1.459 9.921 -3.093 1.00 1.75 C ATOM 856 CE1 PHE A 62 -1.037 9.834 -4.376 1.00 1.50 C ATOM 857 CE2 PHE A 62 1.067 8.768 -3.788 1.00 1.85 C ATOM 858 CZ PHE A 62 -0.172 8.732 -4.449 1.00 0.99 C ATOM 0 H PHE A 62 1.542 14.287 -1.081 1.00 1.14 H new ATOM 0 HA PHE A 62 -0.868 12.983 -1.579 1.00 0.88 H new ATOM 0 HB2 PHE A 62 1.133 13.086 -3.040 1.00 0.87 H new ATOM 0 HB3 PHE A 62 2.035 12.114 -1.894 1.00 0.87 H new ATOM 0 HD1 PHE A 62 -1.350 11.803 -3.549 1.00 1.48 H new ATOM 0 HD2 PHE A 62 2.425 9.958 -2.612 1.00 1.75 H new ATOM 0 HE1 PHE A 62 -1.989 9.808 -4.886 1.00 1.50 H new ATOM 0 HE2 PHE A 62 1.718 7.907 -3.815 1.00 1.85 H new ATOM 0 HZ PHE A 62 -0.458 7.857 -5.013 1.00 0.99 H new ATOM 868 N THR A 63 -1.216 10.977 -0.166 1.00 1.02 N ATOM 869 CA THR A 63 -1.698 10.105 0.888 1.00 0.88 C ATOM 870 C THR A 63 -1.606 8.631 0.497 1.00 0.97 C ATOM 871 O THR A 63 -1.627 8.265 -0.676 1.00 1.70 O ATOM 872 CB THR A 63 -3.149 10.499 1.189 1.00 0.82 C ATOM 873 OG1 THR A 63 -3.882 10.610 -0.009 1.00 1.05 O ATOM 874 CG2 THR A 63 -3.179 11.838 1.915 1.00 0.93 C ATOM 0 H THR A 63 -1.845 11.016 -0.968 1.00 1.02 H new ATOM 0 HA THR A 63 -1.074 10.225 1.774 1.00 0.88 H new ATOM 0 HB THR A 63 -3.596 9.728 1.816 1.00 0.82 H new ATOM 0 HG1 THR A 63 -4.807 10.860 0.196 1.00 1.05 H new ATOM 0 HG21 THR A 63 -4.212 12.114 2.127 1.00 0.93 H new ATOM 0 HG22 THR A 63 -2.626 11.757 2.851 1.00 0.93 H new ATOM 0 HG23 THR A 63 -2.721 12.602 1.288 1.00 0.93 H new ATOM 882 N GLY A 64 -1.559 7.765 1.507 1.00 0.58 N ATOM 883 CA GLY A 64 -1.659 6.334 1.306 1.00 0.48 C ATOM 884 C GLY A 64 -3.045 5.985 0.774 1.00 0.35 C ATOM 885 O GLY A 64 -3.171 5.135 -0.100 1.00 0.40 O ATOM 0 H GLY A 64 -1.451 8.042 2.483 1.00 0.58 H new ATOM 0 HA2 GLY A 64 -0.895 6.002 0.603 1.00 0.48 H new ATOM 0 HA3 GLY A 64 -1.477 5.812 2.245 1.00 0.48 H new ATOM 889 N ARG A 65 -4.094 6.657 1.264 1.00 0.36 N ATOM 890 CA ARG A 65 -5.428 6.446 0.714 1.00 0.40 C ATOM 891 C ARG A 65 -5.409 6.739 -0.792 1.00 0.39 C ATOM 892 O ARG A 65 -5.818 5.892 -1.587 1.00 0.38 O ATOM 893 CB ARG A 65 -6.491 7.268 1.464 1.00 0.50 C ATOM 894 CG ARG A 65 -7.876 6.858 0.944 1.00 0.86 C ATOM 895 CD ARG A 65 -9.011 7.809 1.326 1.00 1.49 C ATOM 896 NE ARG A 65 -10.283 7.270 0.814 1.00 2.00 N ATOM 897 CZ ARG A 65 -11.419 7.938 0.552 1.00 2.86 C ATOM 898 NH1 ARG A 65 -11.512 9.262 0.675 1.00 3.86 N ATOM 899 NH2 ARG A 65 -12.478 7.244 0.144 1.00 3.42 N ATOM 0 H ARG A 65 -4.043 7.336 2.024 1.00 0.36 H new ATOM 0 HA ARG A 65 -5.711 5.403 0.854 1.00 0.40 H new ATOM 0 HB2 ARG A 65 -6.421 7.090 2.537 1.00 0.50 H new ATOM 0 HB3 ARG A 65 -6.327 8.334 1.306 1.00 0.50 H new ATOM 0 HG2 ARG A 65 -7.833 6.783 -0.143 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -8.111 5.863 1.323 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -9.059 7.922 2.409 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -8.828 8.800 0.910 1.00 1.49 H new ATOM 0 HE ARG A 65 -10.304 6.266 0.637 1.00 2.00 H new ATOM 0 HH11 ARG A 65 -10.703 9.804 0.977 1.00 3.86 H new ATOM 0 HH12 ARG A 65 -12.392 9.733 0.467 1.00 3.86 H new ATOM 0 HH21 ARG A 65 -12.414 6.232 0.038 1.00 3.42 H new ATOM 0 HH22 ARG A 65 -13.354 7.724 -0.062 1.00 3.42 H new ATOM 913 N ALA A 66 -4.913 7.916 -1.191 1.00 0.44 N ATOM 914 CA ALA A 66 -4.784 8.249 -2.604 1.00 0.52 C ATOM 915 C ALA A 66 -3.958 7.193 -3.328 1.00 0.47 C ATOM 916 O ALA A 66 -4.285 6.836 -4.452 1.00 0.51 O ATOM 917 CB ALA A 66 -4.158 9.628 -2.797 1.00 0.69 C ATOM 0 H ALA A 66 -4.597 8.647 -0.554 1.00 0.44 H new ATOM 0 HA ALA A 66 -5.787 8.270 -3.031 1.00 0.52 H new ATOM 0 HB1 ALA A 66 -4.076 9.845 -3.862 1.00 0.69 H new ATOM 0 HB2 ALA A 66 -4.784 10.382 -2.320 1.00 0.69 H new ATOM 0 HB3 ALA A 66 -3.166 9.643 -2.347 1.00 0.69 H new ATOM 923 N ALA A 67 -2.899 6.678 -2.703 1.00 0.45 N ATOM 924 CA ALA A 67 -2.123 5.605 -3.295 1.00 0.52 C ATOM 925 C ALA A 67 -3.016 4.407 -3.617 1.00 0.45 C ATOM 926 O ALA A 67 -3.043 3.967 -4.761 1.00 0.51 O ATOM 927 CB ALA A 67 -0.933 5.237 -2.412 1.00 0.60 C ATOM 0 H ALA A 67 -2.565 6.990 -1.791 1.00 0.45 H new ATOM 0 HA ALA A 67 -1.709 5.953 -4.241 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -0.369 4.430 -2.880 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -0.288 6.107 -2.289 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -1.291 4.911 -1.436 1.00 0.60 H new ATOM 933 N VAL A 68 -3.787 3.888 -2.659 1.00 0.36 N ATOM 934 CA VAL A 68 -4.662 2.762 -2.988 1.00 0.36 C ATOM 935 C VAL A 68 -5.624 3.144 -4.109 1.00 0.32 C ATOM 936 O VAL A 68 -5.796 2.411 -5.080 1.00 0.35 O ATOM 937 CB VAL A 68 -5.392 2.154 -1.782 1.00 0.40 C ATOM 938 CG1 VAL A 68 -5.912 0.759 -2.173 1.00 0.39 C ATOM 939 CG2 VAL A 68 -4.467 1.984 -0.580 1.00 0.51 C ATOM 0 H VAL A 68 -3.825 4.211 -1.692 1.00 0.36 H new ATOM 0 HA VAL A 68 -4.011 1.963 -3.341 1.00 0.36 H new ATOM 0 HB VAL A 68 -6.201 2.831 -1.508 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -6.433 0.314 -1.325 1.00 0.39 H new ATOM 0 HG12 VAL A 68 -6.599 0.849 -3.015 1.00 0.39 H new ATOM 0 HG13 VAL A 68 -5.073 0.124 -2.456 1.00 0.39 H new ATOM 0 HG21 VAL A 68 -5.025 1.551 0.250 1.00 0.51 H new ATOM 0 HG22 VAL A 68 -3.642 1.324 -0.846 1.00 0.51 H new ATOM 0 HG23 VAL A 68 -4.073 2.956 -0.284 1.00 0.51 H new ATOM 949 N GLN A 69 -6.227 4.319 -3.997 1.00 0.33 N ATOM 950 CA GLN A 69 -7.107 4.839 -5.024 1.00 0.42 C ATOM 951 C GLN A 69 -6.411 4.976 -6.384 1.00 0.47 C ATOM 952 O GLN A 69 -7.067 4.831 -7.411 1.00 0.54 O ATOM 953 CB GLN A 69 -7.678 6.173 -4.539 1.00 0.51 C ATOM 954 CG GLN A 69 -8.916 5.939 -3.679 1.00 0.70 C ATOM 955 CD GLN A 69 -9.575 7.228 -3.211 1.00 1.55 C ATOM 956 OE1 GLN A 69 -10.033 7.331 -2.079 1.00 2.76 O ATOM 957 NE2 GLN A 69 -9.694 8.210 -4.087 1.00 2.49 N ATOM 0 H GLN A 69 -6.118 4.935 -3.191 1.00 0.33 H new ATOM 0 HA GLN A 69 -7.918 4.129 -5.188 1.00 0.42 H new ATOM 0 HB2 GLN A 69 -6.924 6.711 -3.964 1.00 0.51 H new ATOM 0 HB3 GLN A 69 -7.934 6.799 -5.394 1.00 0.51 H new ATOM 0 HG2 GLN A 69 -9.640 5.354 -4.247 1.00 0.70 H new ATOM 0 HG3 GLN A 69 -8.638 5.344 -2.809 1.00 0.70 H new ATOM 0 HE21 GLN A 69 -9.306 8.107 -5.025 1.00 2.49 H new ATOM 0 HE22 GLN A 69 -10.173 9.071 -3.825 1.00 2.49 H new ATOM 966 N LEU A 70 -5.106 5.241 -6.431 1.00 0.52 N ATOM 967 CA LEU A 70 -4.386 5.414 -7.681 1.00 0.62 C ATOM 968 C LEU A 70 -4.317 4.049 -8.367 1.00 0.58 C ATOM 969 O LEU A 70 -4.287 3.935 -9.591 1.00 0.75 O ATOM 970 CB LEU A 70 -2.995 5.980 -7.352 1.00 0.78 C ATOM 971 CG LEU A 70 -1.979 5.934 -8.494 1.00 0.93 C ATOM 972 CD1 LEU A 70 -2.443 6.885 -9.590 1.00 1.66 C ATOM 973 CD2 LEU A 70 -0.619 6.401 -7.977 1.00 2.16 C ATOM 0 H LEU A 70 -4.523 5.341 -5.600 1.00 0.52 H new ATOM 0 HA LEU A 70 -4.878 6.111 -8.359 1.00 0.62 H new ATOM 0 HB2 LEU A 70 -3.110 7.016 -7.032 1.00 0.78 H new ATOM 0 HB3 LEU A 70 -2.588 5.428 -6.505 1.00 0.78 H new ATOM 0 HG LEU A 70 -1.895 4.918 -8.881 1.00 0.93 H new ATOM 0 HD11 LEU A 70 -1.730 6.866 -10.414 1.00 1.66 H new ATOM 0 HD12 LEU A 70 -3.423 6.574 -9.951 1.00 1.66 H new ATOM 0 HD13 LEU A 70 -2.508 7.897 -9.190 1.00 1.66 H new ATOM 0 HD21 LEU A 70 0.109 6.370 -8.788 1.00 2.16 H new ATOM 0 HD22 LEU A 70 -0.703 7.422 -7.603 1.00 2.16 H new ATOM 0 HD23 LEU A 70 -0.292 5.745 -7.170 1.00 2.16 H new ATOM 985 N TRP A 71 -4.275 2.994 -7.562 1.00 0.55 N ATOM 986 CA TRP A 71 -4.260 1.630 -8.038 1.00 0.58 C ATOM 987 C TRP A 71 -5.685 1.263 -8.474 1.00 0.57 C ATOM 988 O TRP A 71 -5.887 0.732 -9.562 1.00 0.78 O ATOM 989 CB TRP A 71 -3.650 0.749 -6.934 1.00 0.57 C ATOM 990 CG TRP A 71 -2.408 1.308 -6.280 1.00 0.56 C ATOM 991 CD1 TRP A 71 -1.536 2.167 -6.856 1.00 0.62 C ATOM 992 CD2 TRP A 71 -1.895 1.100 -4.922 1.00 0.54 C ATOM 993 NE1 TRP A 71 -0.587 2.552 -5.938 1.00 0.60 N ATOM 994 CE2 TRP A 71 -0.729 1.899 -4.732 1.00 0.53 C ATOM 995 CE3 TRP A 71 -2.296 0.315 -3.826 1.00 0.62 C ATOM 996 CZ2 TRP A 71 -0.024 1.922 -3.512 1.00 0.54 C ATOM 997 CZ3 TRP A 71 -1.608 0.334 -2.605 1.00 0.69 C ATOM 998 CH2 TRP A 71 -0.466 1.130 -2.443 1.00 0.63 C ATOM 0 H TRP A 71 -4.250 3.071 -6.545 1.00 0.55 H new ATOM 0 HA TRP A 71 -3.635 1.477 -8.918 1.00 0.58 H new ATOM 0 HB2 TRP A 71 -4.404 0.584 -6.164 1.00 0.57 H new ATOM 0 HB3 TRP A 71 -3.410 -0.226 -7.359 1.00 0.57 H new ATOM 0 HD1 TRP A 71 -1.579 2.500 -7.882 1.00 0.62 H new ATOM 0 HE1 TRP A 71 0.139 3.242 -6.128 1.00 0.60 H new ATOM 0 HE3 TRP A 71 -3.162 -0.323 -3.929 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 0.851 2.546 -3.401 1.00 0.54 H new ATOM 0 HZ3 TRP A 71 -1.961 -0.270 -1.782 1.00 0.69 H new ATOM 0 HH2 TRP A 71 0.068 1.133 -1.504 1.00 0.63 H new ATOM 1009 N VAL A 72 -6.695 1.588 -7.664 1.00 0.47 N ATOM 1010 CA VAL A 72 -8.086 1.269 -7.975 1.00 0.49 C ATOM 1011 C VAL A 72 -8.660 2.131 -9.106 1.00 0.58 C ATOM 1012 O VAL A 72 -9.650 1.746 -9.735 1.00 0.62 O ATOM 1013 CB VAL A 72 -8.944 1.228 -6.695 1.00 0.49 C ATOM 1014 CG1 VAL A 72 -10.413 0.864 -6.961 1.00 0.51 C ATOM 1015 CG2 VAL A 72 -8.406 0.146 -5.753 1.00 0.48 C ATOM 0 H VAL A 72 -6.570 2.078 -6.778 1.00 0.47 H new ATOM 0 HA VAL A 72 -8.115 0.259 -8.385 1.00 0.49 H new ATOM 0 HB VAL A 72 -8.891 2.230 -6.270 1.00 0.49 H new ATOM 0 HG11 VAL A 72 -10.961 0.853 -6.019 1.00 0.51 H new ATOM 0 HG12 VAL A 72 -10.856 1.602 -7.630 1.00 0.51 H new ATOM 0 HG13 VAL A 72 -10.466 -0.122 -7.423 1.00 0.51 H new ATOM 0 HG21 VAL A 72 -9.013 0.117 -4.848 1.00 0.48 H new ATOM 0 HG22 VAL A 72 -8.449 -0.823 -6.250 1.00 0.48 H new ATOM 0 HG23 VAL A 72 -7.373 0.373 -5.490 1.00 0.48 H new ATOM 1025 N SER A 73 -8.042 3.260 -9.456 1.00 0.71 N ATOM 1026 CA SER A 73 -8.470 3.989 -10.638 1.00 0.80 C ATOM 1027 C SER A 73 -8.266 3.172 -11.922 1.00 0.60 C ATOM 1028 O SER A 73 -8.852 3.508 -12.944 1.00 0.65 O ATOM 1029 CB SER A 73 -7.857 5.388 -10.690 1.00 1.24 C ATOM 1030 OG SER A 73 -6.451 5.374 -10.578 1.00 1.73 O ATOM 0 H SER A 73 -7.262 3.677 -8.948 1.00 0.71 H new ATOM 0 HA SER A 73 -9.547 4.143 -10.564 1.00 0.80 H new ATOM 0 HB2 SER A 73 -8.137 5.868 -11.628 1.00 1.24 H new ATOM 0 HB3 SER A 73 -8.275 5.993 -9.885 1.00 1.24 H new ATOM 0 HG SER A 73 -6.158 4.502 -10.239 1.00 1.73 H new ATOM 1036 N GLU A 74 -7.541 2.045 -11.878 1.00 0.61 N ATOM 1037 CA GLU A 74 -7.486 1.074 -12.969 1.00 0.66 C ATOM 1038 C GLU A 74 -8.824 0.336 -13.202 1.00 0.60 C ATOM 1039 O GLU A 74 -8.859 -0.666 -13.919 1.00 0.82 O ATOM 1040 CB GLU A 74 -6.335 0.091 -12.703 1.00 0.86 C ATOM 1041 CG GLU A 74 -4.989 0.825 -12.688 1.00 1.57 C ATOM 1042 CD GLU A 74 -3.802 -0.091 -12.482 1.00 2.56 C ATOM 1043 OE1 GLU A 74 -3.978 -1.309 -12.244 1.00 3.73 O ATOM 1044 OE2 GLU A 74 -2.694 0.488 -12.535 1.00 3.23 O ATOM 0 H GLU A 74 -6.972 1.784 -11.073 1.00 0.61 H new ATOM 0 HA GLU A 74 -7.300 1.619 -13.895 1.00 0.66 H new ATOM 0 HB2 GLU A 74 -6.492 -0.411 -11.748 1.00 0.86 H new ATOM 0 HB3 GLU A 74 -6.325 -0.682 -13.472 1.00 0.86 H new ATOM 0 HG2 GLU A 74 -4.866 1.360 -13.630 1.00 1.57 H new ATOM 0 HG3 GLU A 74 -5.002 1.574 -11.896 1.00 1.57 H new ATOM 1051 N ARG A 75 -9.953 0.816 -12.672 1.00 0.60 N ATOM 1052 CA ARG A 75 -11.252 0.213 -12.935 1.00 0.84 C ATOM 1053 C ARG A 75 -11.542 -0.031 -14.427 1.00 1.08 C ATOM 1054 O ARG A 75 -12.005 -1.119 -14.762 1.00 1.24 O ATOM 1055 CB ARG A 75 -12.398 0.964 -12.242 1.00 1.03 C ATOM 1056 CG ARG A 75 -13.414 -0.072 -11.746 1.00 1.20 C ATOM 1057 CD ARG A 75 -14.762 0.521 -11.348 1.00 1.75 C ATOM 1058 NE ARG A 75 -15.514 0.996 -12.518 1.00 3.26 N ATOM 1059 CZ ARG A 75 -16.648 1.698 -12.426 1.00 4.04 C ATOM 1060 NH1 ARG A 75 -17.243 1.827 -11.243 1.00 3.81 N ATOM 1061 NH2 ARG A 75 -17.176 2.284 -13.496 1.00 5.68 N ATOM 0 H ARG A 75 -9.987 1.627 -12.054 1.00 0.60 H new ATOM 0 HA ARG A 75 -11.195 -0.779 -12.486 1.00 0.84 H new ATOM 0 HB2 ARG A 75 -12.017 1.554 -11.408 1.00 1.03 H new ATOM 0 HB3 ARG A 75 -12.871 1.660 -12.935 1.00 1.03 H new ATOM 0 HG2 ARG A 75 -13.572 -0.814 -12.529 1.00 1.20 H new ATOM 0 HG3 ARG A 75 -12.993 -0.597 -10.889 1.00 1.20 H new ATOM 0 HD2 ARG A 75 -15.348 -0.231 -10.819 1.00 1.75 H new ATOM 0 HD3 ARG A 75 -14.605 1.348 -10.656 1.00 1.75 H new ATOM 0 HE ARG A 75 -15.153 0.779 -13.447 1.00 3.26 H new ATOM 0 HH11 ARG A 75 -16.834 1.392 -10.416 1.00 3.81 H new ATOM 0 HH12 ARG A 75 -18.109 2.361 -11.163 1.00 3.81 H new ATOM 0 HH21 ARG A 75 -16.715 2.201 -14.402 1.00 5.68 H new ATOM 0 HH22 ARG A 75 -18.042 2.816 -13.411 1.00 5.68 H new ATOM 1075 N PRO A 76 -11.287 0.914 -15.351 1.00 1.25 N ATOM 1076 CA PRO A 76 -11.514 0.684 -16.773 1.00 1.62 C ATOM 1077 C PRO A 76 -10.341 -0.070 -17.419 1.00 1.94 C ATOM 1078 O PRO A 76 -10.066 0.092 -18.613 1.00 2.94 O ATOM 1079 CB PRO A 76 -11.741 2.079 -17.365 1.00 1.63 C ATOM 1080 CG PRO A 76 -10.911 2.997 -16.469 1.00 1.37 C ATOM 1081 CD PRO A 76 -10.825 2.274 -15.124 1.00 1.27 C ATOM 0 HA PRO A 76 -12.373 0.040 -16.961 1.00 1.62 H new ATOM 0 HB2 PRO A 76 -11.413 2.131 -18.403 1.00 1.63 H new ATOM 0 HB3 PRO A 76 -12.796 2.353 -17.350 1.00 1.63 H new ATOM 0 HG2 PRO A 76 -9.920 3.166 -16.889 1.00 1.37 H new ATOM 0 HG3 PRO A 76 -11.383 3.974 -16.362 1.00 1.37 H new ATOM 0 HD2 PRO A 76 -9.802 2.278 -14.747 1.00 1.27 H new ATOM 0 HD3 PRO A 76 -11.442 2.773 -14.376 1.00 1.27 H new ATOM 1089 N SER A 77 -9.611 -0.876 -16.642 1.00 1.38 N ATOM 1090 CA SER A 77 -8.667 -1.857 -17.137 1.00 1.60 C ATOM 1091 C SER A 77 -8.765 -3.203 -16.419 1.00 1.57 C ATOM 1092 O SER A 77 -8.396 -4.213 -17.003 1.00 1.79 O ATOM 1093 CB SER A 77 -7.261 -1.300 -17.077 1.00 1.75 C ATOM 1094 OG SER A 77 -6.918 -0.795 -15.810 1.00 1.86 O ATOM 0 H SER A 77 -9.669 -0.856 -15.624 1.00 1.38 H new ATOM 0 HA SER A 77 -8.927 -2.058 -18.176 1.00 1.60 H new ATOM 0 HB2 SER A 77 -6.555 -2.084 -17.352 1.00 1.75 H new ATOM 0 HB3 SER A 77 -7.160 -0.506 -17.817 1.00 1.75 H new ATOM 0 HG SER A 77 -7.680 -0.892 -15.202 1.00 1.86 H new ATOM 1100 N TYR A 78 -9.265 -3.260 -15.187 1.00 1.41 N ATOM 1101 CA TYR A 78 -9.603 -4.540 -14.566 1.00 1.34 C ATOM 1102 C TYR A 78 -11.008 -4.928 -15.050 1.00 1.42 C ATOM 1103 O TYR A 78 -11.841 -4.050 -15.267 1.00 1.70 O ATOM 1104 CB TYR A 78 -9.456 -4.481 -13.028 1.00 1.33 C ATOM 1105 CG TYR A 78 -10.726 -4.390 -12.201 1.00 0.90 C ATOM 1106 CD1 TYR A 78 -11.518 -5.542 -12.050 1.00 1.90 C ATOM 1107 CD2 TYR A 78 -11.010 -3.257 -11.413 1.00 1.72 C ATOM 1108 CE1 TYR A 78 -12.725 -5.478 -11.344 1.00 2.21 C ATOM 1109 CE2 TYR A 78 -12.195 -3.213 -10.656 1.00 1.92 C ATOM 1110 CZ TYR A 78 -13.089 -4.294 -10.689 1.00 1.68 C ATOM 1111 OH TYR A 78 -14.293 -4.244 -10.058 1.00 2.41 O ATOM 0 H TYR A 78 -9.444 -2.443 -14.603 1.00 1.41 H new ATOM 0 HA TYR A 78 -8.906 -5.322 -14.868 1.00 1.34 H new ATOM 0 HB2 TYR A 78 -8.911 -5.369 -12.709 1.00 1.33 H new ATOM 0 HB3 TYR A 78 -8.834 -3.620 -12.783 1.00 1.33 H new ATOM 0 HD1 TYR A 78 -11.194 -6.478 -12.480 1.00 1.90 H new ATOM 0 HD2 TYR A 78 -10.321 -2.426 -11.390 1.00 1.72 H new ATOM 0 HE1 TYR A 78 -13.375 -6.340 -11.304 1.00 2.21 H new ATOM 0 HE2 TYR A 78 -12.417 -2.347 -10.050 1.00 1.92 H new ATOM 0 HH TYR A 78 -14.410 -3.362 -9.647 1.00 2.41 H new ATOM 1121 N ASN A 79 -11.259 -6.221 -15.285 1.00 1.35 N ATOM 1122 CA ASN A 79 -12.581 -6.708 -15.664 1.00 1.45 C ATOM 1123 C ASN A 79 -12.885 -7.937 -14.820 1.00 1.23 C ATOM 1124 O ASN A 79 -11.985 -8.427 -14.141 1.00 1.95 O ATOM 1125 CB ASN A 79 -12.628 -7.064 -17.160 1.00 1.88 C ATOM 1126 CG ASN A 79 -14.054 -7.405 -17.585 1.00 2.14 C ATOM 1127 OD1 ASN A 79 -15.002 -6.853 -17.042 1.00 1.84 O ATOM 1128 ND2 ASN A 79 -14.257 -8.338 -18.496 1.00 3.65 N ATOM 0 H ASN A 79 -10.552 -6.953 -15.217 1.00 1.35 H new ATOM 0 HA ASN A 79 -13.325 -5.931 -15.490 1.00 1.45 H new ATOM 0 HB2 ASN A 79 -12.257 -6.227 -17.751 1.00 1.88 H new ATOM 0 HB3 ASN A 79 -11.971 -7.911 -17.359 1.00 1.88 H new ATOM 0 HD21 ASN A 79 -15.208 -8.603 -18.751 1.00 3.65 H new ATOM 0 HD22 ASN A 79 -13.463 -8.794 -18.945 1.00 3.65 H new ATOM 1135 N TYR A 80 -14.109 -8.451 -14.879 1.00 1.25 N ATOM 1136 CA TYR A 80 -14.511 -9.757 -14.407 1.00 1.19 C ATOM 1137 C TYR A 80 -15.194 -10.398 -15.607 1.00 1.44 C ATOM 1138 O TYR A 80 -16.044 -9.774 -16.236 1.00 2.45 O ATOM 1139 CB TYR A 80 -15.508 -9.598 -13.264 1.00 1.38 C ATOM 1140 CG TYR A 80 -15.316 -10.597 -12.157 1.00 1.30 C ATOM 1141 CD1 TYR A 80 -14.383 -10.324 -11.146 1.00 2.31 C ATOM 1142 CD2 TYR A 80 -16.082 -11.775 -12.113 1.00 1.97 C ATOM 1143 CE1 TYR A 80 -14.327 -11.150 -10.016 1.00 2.51 C ATOM 1144 CE2 TYR A 80 -15.996 -12.618 -10.995 1.00 1.92 C ATOM 1145 CZ TYR A 80 -15.177 -12.256 -9.915 1.00 1.62 C ATOM 1146 OH TYR A 80 -15.263 -12.924 -8.739 1.00 2.08 O ATOM 0 H TYR A 80 -14.888 -7.930 -15.283 1.00 1.25 H new ATOM 0 HA TYR A 80 -13.676 -10.351 -14.037 1.00 1.19 H new ATOM 0 HB2 TYR A 80 -15.421 -8.592 -12.854 1.00 1.38 H new ATOM 0 HB3 TYR A 80 -16.519 -9.695 -13.659 1.00 1.38 H new ATOM 0 HD1 TYR A 80 -13.712 -9.483 -11.238 1.00 2.31 H new ATOM 0 HD2 TYR A 80 -16.733 -12.030 -12.936 1.00 1.97 H new ATOM 0 HE1 TYR A 80 -13.627 -10.933 -9.223 1.00 2.51 H new ATOM 0 HE2 TYR A 80 -16.557 -13.540 -10.966 1.00 1.92 H new ATOM 0 HH TYR A 80 -15.139 -12.296 -7.997 1.00 2.08 H new ATOM 1156 N ALA A 81 -14.786 -11.612 -15.940 1.00 2.06 N ATOM 1157 CA ALA A 81 -15.345 -12.435 -16.988 1.00 2.33 C ATOM 1158 C ALA A 81 -14.696 -13.805 -16.824 1.00 2.30 C ATOM 1159 O ALA A 81 -14.980 -14.520 -15.867 1.00 2.57 O ATOM 1160 CB ALA A 81 -15.073 -11.798 -18.358 1.00 3.11 C ATOM 0 H ALA A 81 -14.013 -12.070 -15.457 1.00 2.06 H new ATOM 0 HA ALA A 81 -16.429 -12.529 -16.923 1.00 2.33 H new ATOM 0 HB1 ALA A 81 -15.498 -12.425 -19.142 1.00 3.11 H new ATOM 0 HB2 ALA A 81 -15.530 -10.809 -18.397 1.00 3.11 H new ATOM 0 HB3 ALA A 81 -13.997 -11.707 -18.510 1.00 3.11 H new ATOM 1166 N THR A 82 -13.719 -14.121 -17.665 1.00 2.65 N ATOM 1167 CA THR A 82 -13.032 -15.399 -17.708 1.00 3.02 C ATOM 1168 C THR A 82 -11.735 -15.281 -16.913 1.00 2.66 C ATOM 1169 O THR A 82 -10.695 -15.813 -17.298 1.00 2.83 O ATOM 1170 CB THR A 82 -12.784 -15.711 -19.187 1.00 3.96 C ATOM 1171 OG1 THR A 82 -12.062 -14.649 -19.777 1.00 4.23 O ATOM 1172 CG2 THR A 82 -14.131 -15.815 -19.908 1.00 4.37 C ATOM 0 H THR A 82 -13.372 -13.464 -18.364 1.00 2.65 H new ATOM 0 HA THR A 82 -13.610 -16.209 -17.263 1.00 3.02 H new ATOM 0 HB THR A 82 -12.226 -16.644 -19.268 1.00 3.96 H new ATOM 0 HG1 THR A 82 -11.643 -14.960 -20.607 1.00 4.23 H new ATOM 0 HG21 THR A 82 -13.963 -16.037 -20.962 1.00 4.37 H new ATOM 0 HG22 THR A 82 -14.723 -16.612 -19.459 1.00 4.37 H new ATOM 0 HG23 THR A 82 -14.666 -14.870 -19.817 1.00 4.37 H new ATOM 1180 N ASN A 83 -11.807 -14.502 -15.838 1.00 2.28 N ATOM 1181 CA ASN A 83 -10.684 -14.139 -15.000 1.00 1.95 C ATOM 1182 C ASN A 83 -9.612 -13.418 -15.813 1.00 1.85 C ATOM 1183 O ASN A 83 -8.632 -14.031 -16.230 1.00 2.32 O ATOM 1184 CB ASN A 83 -10.130 -15.364 -14.271 1.00 2.13 C ATOM 1185 CG ASN A 83 -9.356 -14.892 -13.059 1.00 1.93 C ATOM 1186 OD1 ASN A 83 -8.150 -14.670 -13.119 1.00 2.62 O ATOM 1187 ND2 ASN A 83 -10.076 -14.680 -11.970 1.00 1.53 N ATOM 0 H ASN A 83 -12.686 -14.094 -15.520 1.00 2.28 H new ATOM 0 HA ASN A 83 -11.031 -13.442 -14.237 1.00 1.95 H new ATOM 0 HB2 ASN A 83 -10.943 -16.024 -13.968 1.00 2.13 H new ATOM 0 HB3 ASN A 83 -9.483 -15.939 -14.934 1.00 2.13 H new ATOM 0 HD21 ASN A 83 -9.631 -14.315 -11.128 1.00 1.53 H new ATOM 0 HD22 ASN A 83 -11.076 -14.881 -11.973 1.00 1.53 H new ATOM 1194 N GLN A 84 -9.800 -12.125 -16.091 1.00 1.53 N ATOM 1195 CA GLN A 84 -8.855 -11.369 -16.891 1.00 1.60 C ATOM 1196 C GLN A 84 -8.952 -9.880 -16.577 1.00 1.38 C ATOM 1197 O GLN A 84 -9.833 -9.460 -15.822 1.00 1.65 O ATOM 1198 CB GLN A 84 -9.062 -11.660 -18.391 1.00 1.94 C ATOM 1199 CG GLN A 84 -10.526 -11.563 -18.866 1.00 2.61 C ATOM 1200 CD GLN A 84 -10.638 -11.392 -20.386 1.00 3.84 C ATOM 1201 OE1 GLN A 84 -10.146 -10.418 -20.944 1.00 4.35 O ATOM 1202 NE2 GLN A 84 -11.278 -12.307 -21.101 1.00 4.99 N ATOM 0 H GLN A 84 -10.604 -11.586 -15.769 1.00 1.53 H new ATOM 0 HA GLN A 84 -7.844 -11.686 -16.635 1.00 1.60 H new ATOM 0 HB2 GLN A 84 -8.458 -10.961 -18.970 1.00 1.94 H new ATOM 0 HB3 GLN A 84 -8.688 -12.660 -18.609 1.00 1.94 H new ATOM 0 HG2 GLN A 84 -11.063 -12.462 -18.564 1.00 2.61 H new ATOM 0 HG3 GLN A 84 -11.010 -10.721 -18.372 1.00 2.61 H new ATOM 0 HE21 GLN A 84 -11.689 -13.119 -20.640 1.00 4.99 H new ATOM 0 HE22 GLN A 84 -11.360 -12.199 -22.112 1.00 4.99 H new ATOM 1211 N CYS A 85 -8.020 -9.099 -17.121 1.00 1.42 N ATOM 1212 CA CYS A 85 -8.139 -7.651 -17.243 1.00 1.33 C ATOM 1213 C CYS A 85 -8.816 -7.371 -18.578 1.00 1.35 C ATOM 1214 O CYS A 85 -8.940 -8.271 -19.408 1.00 2.15 O ATOM 1215 CB CYS A 85 -6.763 -6.974 -17.180 1.00 1.50 C ATOM 1216 SG CYS A 85 -6.128 -6.700 -15.509 1.00 2.10 S ATOM 0 H CYS A 85 -7.145 -9.464 -17.496 1.00 1.42 H new ATOM 0 HA CYS A 85 -8.725 -7.247 -16.417 1.00 1.33 H new ATOM 0 HB2 CYS A 85 -6.047 -7.585 -17.730 1.00 1.50 H new ATOM 0 HB3 CYS A 85 -6.822 -6.014 -17.693 1.00 1.50 H new ATOM 1221 N VAL A 86 -9.260 -6.137 -18.792 1.00 1.15 N ATOM 1222 CA VAL A 86 -10.072 -5.772 -19.933 1.00 1.19 C ATOM 1223 C VAL A 86 -9.182 -6.007 -21.167 1.00 1.45 C ATOM 1224 O VAL A 86 -7.985 -5.708 -21.160 1.00 1.73 O ATOM 1225 CB VAL A 86 -10.481 -4.289 -19.826 1.00 1.18 C ATOM 1226 CG1 VAL A 86 -10.829 -3.691 -21.183 1.00 1.20 C ATOM 1227 CG2 VAL A 86 -11.582 -3.971 -18.813 1.00 1.59 C ATOM 0 H VAL A 86 -9.060 -5.357 -18.166 1.00 1.15 H new ATOM 0 HA VAL A 86 -10.990 -6.357 -19.992 1.00 1.19 H new ATOM 0 HB VAL A 86 -9.582 -3.814 -19.434 1.00 1.18 H new ATOM 0 HG11 VAL A 86 -11.111 -2.645 -21.058 1.00 1.20 H new ATOM 0 HG12 VAL A 86 -9.964 -3.757 -21.843 1.00 1.20 H new ATOM 0 HG13 VAL A 86 -11.662 -4.242 -21.621 1.00 1.20 H new ATOM 0 HG21 VAL A 86 -11.788 -2.901 -18.823 1.00 1.59 H new ATOM 0 HG22 VAL A 86 -12.488 -4.517 -19.077 1.00 1.59 H new ATOM 0 HG23 VAL A 86 -11.256 -4.268 -17.816 1.00 1.59 H new ATOM 1295 N CYS A 91 -3.358 -2.818 -16.815 1.00 1.56 N ATOM 1296 CA CYS A 91 -3.835 -2.716 -15.455 1.00 1.24 C ATOM 1297 C CYS A 91 -2.580 -2.741 -14.585 1.00 1.42 C ATOM 1298 O CYS A 91 -1.828 -1.770 -14.566 1.00 3.15 O ATOM 1299 CB CYS A 91 -4.854 -3.845 -15.204 1.00 1.33 C ATOM 1300 SG CYS A 91 -4.442 -5.505 -15.836 1.00 2.34 S ATOM 0 HA CYS A 91 -4.382 -1.802 -15.222 1.00 1.24 H new ATOM 0 HB2 CYS A 91 -5.011 -3.924 -14.128 1.00 1.33 H new ATOM 0 HB3 CYS A 91 -5.805 -3.544 -15.644 1.00 1.33 H new ATOM 1305 N ARG A 92 -2.276 -3.883 -13.982 1.00 0.93 N ATOM 1306 CA ARG A 92 -1.022 -4.205 -13.324 1.00 0.77 C ATOM 1307 C ARG A 92 -0.786 -3.475 -11.992 1.00 0.84 C ATOM 1308 O ARG A 92 0.298 -3.618 -11.426 1.00 1.48 O ATOM 1309 CB ARG A 92 0.141 -4.138 -14.344 1.00 1.03 C ATOM 1310 CG ARG A 92 1.498 -4.759 -13.965 1.00 1.30 C ATOM 1311 CD ARG A 92 1.338 -6.081 -13.217 1.00 1.06 C ATOM 1312 NE ARG A 92 2.443 -7.039 -13.404 1.00 1.51 N ATOM 1313 CZ ARG A 92 2.263 -8.372 -13.402 1.00 2.27 C ATOM 1314 NH1 ARG A 92 1.096 -8.860 -12.984 1.00 3.22 N ATOM 1315 NH2 ARG A 92 3.223 -9.194 -13.829 1.00 2.75 N ATOM 0 H ARG A 92 -2.941 -4.655 -13.938 1.00 0.93 H new ATOM 0 HA ARG A 92 -1.080 -5.238 -12.981 1.00 0.77 H new ATOM 0 HB2 ARG A 92 -0.197 -4.619 -15.262 1.00 1.03 H new ATOM 0 HB3 ARG A 92 0.313 -3.088 -14.579 1.00 1.03 H new ATOM 0 HG2 ARG A 92 2.086 -4.923 -14.868 1.00 1.30 H new ATOM 0 HG3 ARG A 92 2.056 -4.058 -13.345 1.00 1.30 H new ATOM 0 HD2 ARG A 92 1.237 -5.869 -12.153 1.00 1.06 H new ATOM 0 HD3 ARG A 92 0.409 -6.553 -13.538 1.00 1.06 H new ATOM 0 HE ARG A 92 3.386 -6.675 -13.541 1.00 1.51 H new ATOM 0 HH11 ARG A 92 0.360 -8.226 -12.674 1.00 3.22 H new ATOM 0 HH12 ARG A 92 0.939 -9.868 -12.974 1.00 3.22 H new ATOM 0 HH21 ARG A 92 4.109 -8.814 -14.163 1.00 2.75 H new ATOM 0 HH22 ARG A 92 3.071 -10.203 -13.821 1.00 2.75 H new ATOM 1329 N HIS A 93 -1.784 -2.800 -11.411 1.00 0.66 N ATOM 1330 CA HIS A 93 -1.747 -2.418 -10.000 1.00 0.61 C ATOM 1331 C HIS A 93 -3.001 -2.873 -9.256 1.00 0.53 C ATOM 1332 O HIS A 93 -2.873 -3.439 -8.172 1.00 0.51 O ATOM 1333 CB HIS A 93 -1.523 -0.919 -9.832 1.00 0.66 C ATOM 1334 CG HIS A 93 -0.264 -0.416 -10.488 1.00 0.96 C ATOM 1335 ND1 HIS A 93 -0.229 0.477 -11.535 1.00 1.63 N ATOM 1336 CD2 HIS A 93 1.025 -0.722 -10.140 1.00 0.97 C ATOM 1337 CE1 HIS A 93 1.059 0.756 -11.797 1.00 1.95 C ATOM 1338 NE2 HIS A 93 1.840 0.028 -10.970 1.00 1.53 N ATOM 0 H HIS A 93 -2.629 -2.507 -11.901 1.00 0.66 H new ATOM 0 HA HIS A 93 -0.897 -2.933 -9.553 1.00 0.61 H new ATOM 0 HB2 HIS A 93 -2.377 -0.384 -10.248 1.00 0.66 H new ATOM 0 HB3 HIS A 93 -1.487 -0.683 -8.768 1.00 0.66 H new ATOM 0 HD1 HIS A 93 -1.038 0.859 -12.025 1.00 1.63 H new ATOM 0 HD2 HIS A 93 1.342 -1.411 -9.371 1.00 0.97 H new ATOM 0 HE1 HIS A 93 1.412 1.449 -12.546 1.00 1.95 H new ATOM 1347 N TYR A 94 -4.205 -2.665 -9.800 1.00 0.51 N ATOM 1348 CA TYR A 94 -5.424 -3.146 -9.139 1.00 0.41 C ATOM 1349 C TYR A 94 -5.303 -4.634 -8.811 1.00 0.37 C ATOM 1350 O TYR A 94 -5.714 -5.071 -7.738 1.00 0.35 O ATOM 1351 CB TYR A 94 -6.677 -2.873 -9.980 1.00 0.41 C ATOM 1352 CG TYR A 94 -7.953 -3.501 -9.434 1.00 0.59 C ATOM 1353 CD1 TYR A 94 -8.305 -4.831 -9.738 1.00 1.37 C ATOM 1354 CD2 TYR A 94 -8.782 -2.753 -8.582 1.00 1.85 C ATOM 1355 CE1 TYR A 94 -9.502 -5.377 -9.242 1.00 1.48 C ATOM 1356 CE2 TYR A 94 -9.986 -3.287 -8.103 1.00 2.15 C ATOM 1357 CZ TYR A 94 -10.353 -4.594 -8.443 1.00 1.38 C ATOM 1358 OH TYR A 94 -11.559 -5.069 -8.038 1.00 1.80 O ATOM 0 H TYR A 94 -4.361 -2.175 -10.681 1.00 0.51 H new ATOM 0 HA TYR A 94 -5.534 -2.590 -8.208 1.00 0.41 H new ATOM 0 HB2 TYR A 94 -6.821 -1.795 -10.055 1.00 0.41 H new ATOM 0 HB3 TYR A 94 -6.508 -3.244 -10.991 1.00 0.41 H new ATOM 0 HD1 TYR A 94 -7.653 -5.433 -10.354 1.00 1.37 H new ATOM 0 HD2 TYR A 94 -8.488 -1.755 -8.293 1.00 1.85 H new ATOM 0 HE1 TYR A 94 -9.767 -6.398 -9.475 1.00 1.48 H new ATOM 0 HE2 TYR A 94 -10.629 -2.691 -7.473 1.00 2.15 H new ATOM 0 HH TYR A 94 -12.229 -4.896 -8.732 1.00 1.80 H new ATOM 1368 N THR A 95 -4.711 -5.407 -9.721 1.00 0.40 N ATOM 1369 CA THR A 95 -4.354 -6.794 -9.487 1.00 0.44 C ATOM 1370 C THR A 95 -3.757 -6.971 -8.088 1.00 0.45 C ATOM 1371 O THR A 95 -4.193 -7.841 -7.345 1.00 0.52 O ATOM 1372 CB THR A 95 -3.333 -7.215 -10.556 1.00 0.63 C ATOM 1373 OG1 THR A 95 -2.410 -6.159 -10.771 1.00 0.79 O ATOM 1374 CG2 THR A 95 -3.992 -7.531 -11.899 1.00 0.80 C ATOM 0 H THR A 95 -4.465 -5.076 -10.654 1.00 0.40 H new ATOM 0 HA THR A 95 -5.245 -7.418 -9.550 1.00 0.44 H new ATOM 0 HB THR A 95 -2.840 -8.114 -10.186 1.00 0.63 H new ATOM 0 HG1 THR A 95 -1.522 -6.532 -10.952 1.00 0.79 H new ATOM 0 HG21 THR A 95 -3.228 -7.823 -12.619 1.00 0.80 H new ATOM 0 HG22 THR A 95 -4.703 -8.348 -11.772 1.00 0.80 H new ATOM 0 HG23 THR A 95 -4.516 -6.648 -12.264 1.00 0.80 H new ATOM 1382 N GLN A 96 -2.767 -6.155 -7.724 1.00 0.47 N ATOM 1383 CA GLN A 96 -2.100 -6.275 -6.443 1.00 0.53 C ATOM 1384 C GLN A 96 -3.028 -5.919 -5.287 1.00 0.49 C ATOM 1385 O GLN A 96 -2.980 -6.579 -4.252 1.00 0.61 O ATOM 1386 CB GLN A 96 -0.827 -5.424 -6.395 1.00 0.64 C ATOM 1387 CG GLN A 96 -0.028 -5.710 -5.115 1.00 0.99 C ATOM 1388 CD GLN A 96 0.334 -7.187 -4.983 1.00 0.87 C ATOM 1389 OE1 GLN A 96 1.263 -7.650 -5.636 1.00 1.93 O ATOM 1390 NE2 GLN A 96 -0.434 -7.950 -4.214 1.00 0.72 N ATOM 0 H GLN A 96 -2.412 -5.399 -8.310 1.00 0.47 H new ATOM 0 HA GLN A 96 -1.814 -7.321 -6.330 1.00 0.53 H new ATOM 0 HB2 GLN A 96 -0.210 -5.634 -7.269 1.00 0.64 H new ATOM 0 HB3 GLN A 96 -1.089 -4.367 -6.437 1.00 0.64 H new ATOM 0 HG2 GLN A 96 0.884 -5.112 -5.116 1.00 0.99 H new ATOM 0 HG3 GLN A 96 -0.611 -5.401 -4.247 1.00 0.99 H new ATOM 0 HE21 GLN A 96 -1.199 -7.533 -3.683 1.00 0.72 H new ATOM 0 HE22 GLN A 96 -0.259 -8.953 -4.154 1.00 0.72 H new ATOM 1399 N VAL A 97 -3.836 -4.865 -5.438 1.00 0.42 N ATOM 1400 CA VAL A 97 -4.812 -4.481 -4.422 1.00 0.38 C ATOM 1401 C VAL A 97 -5.658 -5.703 -4.083 1.00 0.39 C ATOM 1402 O VAL A 97 -5.894 -6.021 -2.920 1.00 0.53 O ATOM 1403 CB VAL A 97 -5.727 -3.347 -4.928 1.00 0.47 C ATOM 1404 CG1 VAL A 97 -6.732 -2.929 -3.848 1.00 0.47 C ATOM 1405 CG2 VAL A 97 -4.929 -2.101 -5.296 1.00 0.78 C ATOM 0 H VAL A 97 -3.830 -4.262 -6.260 1.00 0.42 H new ATOM 0 HA VAL A 97 -4.284 -4.119 -3.540 1.00 0.38 H new ATOM 0 HB VAL A 97 -6.239 -3.741 -5.806 1.00 0.47 H new ATOM 0 HG11 VAL A 97 -7.365 -2.128 -4.230 1.00 0.47 H new ATOM 0 HG12 VAL A 97 -7.352 -3.784 -3.578 1.00 0.47 H new ATOM 0 HG13 VAL A 97 -6.194 -2.577 -2.967 1.00 0.47 H new ATOM 0 HG21 VAL A 97 -5.608 -1.325 -5.648 1.00 0.78 H new ATOM 0 HG22 VAL A 97 -4.390 -1.742 -4.419 1.00 0.78 H new ATOM 0 HG23 VAL A 97 -4.217 -2.345 -6.084 1.00 0.78 H new ATOM 1415 N VAL A 98 -6.134 -6.353 -5.136 1.00 0.35 N ATOM 1416 CA VAL A 98 -7.149 -7.371 -5.050 1.00 0.36 C ATOM 1417 C VAL A 98 -6.567 -8.751 -4.717 1.00 0.44 C ATOM 1418 O VAL A 98 -7.244 -9.558 -4.083 1.00 0.66 O ATOM 1419 CB VAL A 98 -8.014 -7.278 -6.323 1.00 0.37 C ATOM 1420 CG1 VAL A 98 -7.893 -8.484 -7.252 1.00 0.45 C ATOM 1421 CG2 VAL A 98 -9.466 -7.057 -5.922 1.00 0.40 C ATOM 0 H VAL A 98 -5.813 -6.177 -6.088 1.00 0.35 H new ATOM 0 HA VAL A 98 -7.813 -7.203 -4.202 1.00 0.36 H new ATOM 0 HB VAL A 98 -7.638 -6.433 -6.899 1.00 0.37 H new ATOM 0 HG11 VAL A 98 -8.533 -8.338 -8.122 1.00 0.45 H new ATOM 0 HG12 VAL A 98 -6.858 -8.591 -7.576 1.00 0.45 H new ATOM 0 HG13 VAL A 98 -8.202 -9.385 -6.721 1.00 0.45 H new ATOM 0 HG21 VAL A 98 -10.085 -6.990 -6.817 1.00 0.40 H new ATOM 0 HG22 VAL A 98 -9.805 -7.892 -5.308 1.00 0.40 H new ATOM 0 HG23 VAL A 98 -9.549 -6.131 -5.353 1.00 0.40 H new ATOM 1431 N TRP A 99 -5.317 -8.990 -5.106 1.00 0.47 N ATOM 1432 CA TRP A 99 -4.676 -10.290 -5.251 1.00 0.53 C ATOM 1433 C TRP A 99 -5.145 -11.332 -4.227 1.00 0.60 C ATOM 1434 O TRP A 99 -4.823 -11.234 -3.044 1.00 0.56 O ATOM 1435 CB TRP A 99 -3.154 -10.106 -5.206 1.00 0.55 C ATOM 1436 CG TRP A 99 -2.385 -11.230 -5.819 1.00 0.67 C ATOM 1437 CD1 TRP A 99 -1.702 -12.166 -5.134 1.00 0.83 C ATOM 1438 CD2 TRP A 99 -2.192 -11.549 -7.229 1.00 0.69 C ATOM 1439 NE1 TRP A 99 -1.125 -13.057 -6.008 1.00 0.89 N ATOM 1440 CE2 TRP A 99 -1.380 -12.714 -7.312 1.00 0.82 C ATOM 1441 CE3 TRP A 99 -2.544 -10.935 -8.450 1.00 0.71 C ATOM 1442 CZ2 TRP A 99 -0.964 -13.249 -8.530 1.00 0.91 C ATOM 1443 CZ3 TRP A 99 -2.224 -11.534 -9.685 1.00 0.82 C ATOM 1444 CH2 TRP A 99 -1.479 -12.725 -9.719 1.00 0.90 C ATOM 0 H TRP A 99 -4.684 -8.227 -5.344 1.00 0.47 H new ATOM 0 HA TRP A 99 -4.975 -10.695 -6.218 1.00 0.53 H new ATOM 0 HB2 TRP A 99 -2.895 -9.180 -5.720 1.00 0.55 H new ATOM 0 HB3 TRP A 99 -2.843 -9.991 -4.168 1.00 0.55 H new ATOM 0 HD1 TRP A 99 -1.619 -12.211 -4.058 1.00 0.83 H new ATOM 0 HE1 TRP A 99 -0.577 -13.869 -5.723 1.00 0.89 H new ATOM 0 HE3 TRP A 99 -3.067 -9.990 -8.438 1.00 0.71 H new ATOM 0 HZ2 TRP A 99 -0.251 -14.060 -8.555 1.00 0.91 H new ATOM 0 HZ3 TRP A 99 -2.552 -11.077 -10.607 1.00 0.82 H new ATOM 0 HH2 TRP A 99 -1.306 -13.232 -10.657 1.00 0.90 H new ATOM 1455 N ARG A 100 -5.898 -12.345 -4.656 1.00 0.78 N ATOM 1456 CA ARG A 100 -6.458 -13.355 -3.770 1.00 0.89 C ATOM 1457 C ARG A 100 -5.362 -14.055 -2.955 1.00 0.93 C ATOM 1458 O ARG A 100 -5.560 -14.335 -1.769 1.00 1.02 O ATOM 1459 CB ARG A 100 -7.386 -14.312 -4.547 1.00 0.88 C ATOM 1460 CG ARG A 100 -8.061 -15.299 -3.580 1.00 1.01 C ATOM 1461 CD ARG A 100 -9.130 -16.190 -4.230 1.00 1.60 C ATOM 1462 NE ARG A 100 -9.683 -17.132 -3.236 1.00 2.25 N ATOM 1463 CZ ARG A 100 -10.499 -16.799 -2.223 1.00 3.16 C ATOM 1464 NH1 ARG A 100 -11.139 -15.629 -2.230 1.00 3.86 N ATOM 1465 NH2 ARG A 100 -10.626 -17.638 -1.200 1.00 4.54 N ATOM 0 H ARG A 100 -6.136 -12.485 -5.638 1.00 0.78 H new ATOM 0 HA ARG A 100 -7.092 -12.868 -3.029 1.00 0.89 H new ATOM 0 HB2 ARG A 100 -8.144 -13.740 -5.082 1.00 0.88 H new ATOM 0 HB3 ARG A 100 -6.812 -14.859 -5.295 1.00 0.88 H new ATOM 0 HG2 ARG A 100 -7.295 -15.935 -3.136 1.00 1.01 H new ATOM 0 HG3 ARG A 100 -8.519 -14.737 -2.767 1.00 1.01 H new ATOM 0 HD2 ARG A 100 -9.929 -15.572 -4.640 1.00 1.60 H new ATOM 0 HD3 ARG A 100 -8.696 -16.743 -5.063 1.00 1.60 H new ATOM 0 HE ARG A 100 -9.424 -18.114 -3.326 1.00 2.25 H new ATOM 0 HH11 ARG A 100 -11.010 -14.982 -3.008 1.00 3.86 H new ATOM 0 HH12 ARG A 100 -11.758 -15.381 -1.458 1.00 3.86 H new ATOM 0 HH21 ARG A 100 -10.108 -18.517 -1.194 1.00 4.54 H new ATOM 0 HH22 ARG A 100 -11.241 -17.403 -0.421 1.00 4.54 H new ATOM 1479 N ASN A 101 -4.192 -14.301 -3.549 1.00 0.93 N ATOM 1480 CA ASN A 101 -3.108 -14.961 -2.825 1.00 0.99 C ATOM 1481 C ASN A 101 -2.673 -14.132 -1.611 1.00 0.69 C ATOM 1482 O ASN A 101 -2.435 -14.700 -0.546 1.00 1.07 O ATOM 1483 CB ASN A 101 -1.904 -15.283 -3.730 1.00 1.33 C ATOM 1484 CG ASN A 101 -0.988 -16.395 -3.207 1.00 2.11 C ATOM 1485 OD1 ASN A 101 -0.147 -16.899 -3.951 1.00 3.37 O ATOM 1486 ND2 ASN A 101 -1.100 -16.776 -1.942 1.00 2.29 N ATOM 0 H ASN A 101 -3.974 -14.057 -4.515 1.00 0.93 H new ATOM 0 HA ASN A 101 -3.502 -15.914 -2.471 1.00 0.99 H new ATOM 0 HB2 ASN A 101 -2.273 -15.569 -4.715 1.00 1.33 H new ATOM 0 HB3 ASN A 101 -1.313 -14.376 -3.862 1.00 1.33 H new ATOM 0 HD21 ASN A 101 -0.483 -17.498 -1.570 1.00 2.29 H new ATOM 0 HD22 ASN A 101 -1.803 -16.347 -1.340 1.00 2.29 H new ATOM 1493 N SER A 102 -2.585 -12.808 -1.745 1.00 0.90 N ATOM 1494 CA SER A 102 -2.042 -11.950 -0.702 1.00 0.78 C ATOM 1495 C SER A 102 -3.134 -11.581 0.306 1.00 0.85 C ATOM 1496 O SER A 102 -3.884 -10.630 0.096 1.00 1.28 O ATOM 1497 CB SER A 102 -1.403 -10.693 -1.309 1.00 0.89 C ATOM 1498 OG SER A 102 -0.432 -11.031 -2.294 1.00 2.02 O ATOM 0 H SER A 102 -2.888 -12.305 -2.579 1.00 0.90 H new ATOM 0 HA SER A 102 -1.262 -12.498 -0.174 1.00 0.78 H new ATOM 0 HB2 SER A 102 -2.177 -10.069 -1.757 1.00 0.89 H new ATOM 0 HB3 SER A 102 -0.935 -10.104 -0.521 1.00 0.89 H new ATOM 0 HG SER A 102 0.329 -11.475 -1.864 1.00 2.02 H new ATOM 1504 N VAL A 103 -3.220 -12.327 1.404 1.00 0.86 N ATOM 1505 CA VAL A 103 -4.072 -11.991 2.545 1.00 0.91 C ATOM 1506 C VAL A 103 -3.289 -11.226 3.618 1.00 0.82 C ATOM 1507 O VAL A 103 -3.788 -11.012 4.721 1.00 0.90 O ATOM 1508 CB VAL A 103 -4.740 -13.257 3.101 1.00 1.12 C ATOM 1509 CG1 VAL A 103 -5.816 -13.731 2.123 1.00 1.31 C ATOM 1510 CG2 VAL A 103 -3.738 -14.384 3.371 1.00 1.31 C ATOM 0 H VAL A 103 -2.695 -13.192 1.530 1.00 0.86 H new ATOM 0 HA VAL A 103 -4.864 -11.323 2.205 1.00 0.91 H new ATOM 0 HB VAL A 103 -5.188 -13.000 4.061 1.00 1.12 H new ATOM 0 HG11 VAL A 103 -6.293 -14.630 2.514 1.00 1.31 H new ATOM 0 HG12 VAL A 103 -6.564 -12.948 1.998 1.00 1.31 H new ATOM 0 HG13 VAL A 103 -5.359 -13.953 1.159 1.00 1.31 H new ATOM 0 HG21 VAL A 103 -4.265 -15.254 3.763 1.00 1.31 H new ATOM 0 HG22 VAL A 103 -3.234 -14.653 2.443 1.00 1.31 H new ATOM 0 HG23 VAL A 103 -3.001 -14.048 4.100 1.00 1.31 H new ATOM 1520 N ARG A 104 -2.071 -10.799 3.298 1.00 0.87 N ATOM 1521 CA ARG A 104 -1.235 -9.990 4.163 1.00 0.80 C ATOM 1522 C ARG A 104 -1.014 -8.665 3.439 1.00 0.64 C ATOM 1523 O ARG A 104 -0.961 -8.654 2.203 1.00 0.71 O ATOM 1524 CB ARG A 104 0.093 -10.717 4.360 1.00 0.94 C ATOM 1525 CG ARG A 104 -0.029 -12.195 4.763 1.00 1.38 C ATOM 1526 CD ARG A 104 -0.648 -12.383 6.152 1.00 2.15 C ATOM 1527 NE ARG A 104 0.163 -11.771 7.225 1.00 2.62 N ATOM 1528 CZ ARG A 104 -0.357 -11.007 8.204 1.00 4.14 C ATOM 1529 NH1 ARG A 104 -1.483 -10.341 7.974 1.00 5.21 N ATOM 1530 NH2 ARG A 104 0.226 -10.930 9.398 1.00 5.21 N ATOM 0 H ARG A 104 -1.631 -11.015 2.404 1.00 0.87 H new ATOM 0 HA ARG A 104 -1.689 -9.818 5.139 1.00 0.80 H new ATOM 0 HB2 ARG A 104 0.665 -10.654 3.434 1.00 0.94 H new ATOM 0 HB3 ARG A 104 0.667 -10.194 5.125 1.00 0.94 H new ATOM 0 HG2 ARG A 104 -0.637 -12.719 4.025 1.00 1.38 H new ATOM 0 HG3 ARG A 104 0.959 -12.654 4.746 1.00 1.38 H new ATOM 0 HD2 ARG A 104 -1.646 -11.946 6.163 1.00 2.15 H new ATOM 0 HD3 ARG A 104 -0.764 -13.448 6.352 1.00 2.15 H new ATOM 0 HE ARG A 104 1.170 -11.936 7.224 1.00 2.62 H new ATOM 0 HH11 ARG A 104 -1.941 -10.413 7.066 1.00 5.21 H new ATOM 0 HH12 ARG A 104 -1.889 -9.758 8.706 1.00 5.21 H new ATOM 0 HH21 ARG A 104 1.081 -11.455 9.583 1.00 5.21 H new ATOM 0 HH22 ARG A 104 -0.182 -10.346 10.128 1.00 5.21 H new ATOM 1544 N LEU A 105 -0.921 -7.571 4.181 1.00 0.58 N ATOM 1545 CA LEU A 105 -0.605 -6.256 3.673 1.00 0.47 C ATOM 1546 C LEU A 105 0.140 -5.435 4.721 1.00 0.50 C ATOM 1547 O LEU A 105 -0.305 -5.319 5.866 1.00 0.71 O ATOM 1548 CB LEU A 105 -1.929 -5.561 3.354 1.00 0.51 C ATOM 1549 CG LEU A 105 -1.753 -4.153 2.778 1.00 0.55 C ATOM 1550 CD1 LEU A 105 -1.322 -4.271 1.323 1.00 1.78 C ATOM 1551 CD2 LEU A 105 -3.084 -3.413 2.865 1.00 1.93 C ATOM 0 H LEU A 105 -1.070 -7.582 5.190 1.00 0.58 H new ATOM 0 HA LEU A 105 0.029 -6.344 2.791 1.00 0.47 H new ATOM 0 HB2 LEU A 105 -2.488 -6.169 2.643 1.00 0.51 H new ATOM 0 HB3 LEU A 105 -2.528 -5.502 4.263 1.00 0.51 H new ATOM 0 HG LEU A 105 -0.997 -3.604 3.339 1.00 0.55 H new ATOM 0 HD11 LEU A 105 -1.193 -3.275 0.900 1.00 1.78 H new ATOM 0 HD12 LEU A 105 -0.379 -4.815 1.266 1.00 1.78 H new ATOM 0 HD13 LEU A 105 -2.085 -4.808 0.760 1.00 1.78 H new ATOM 0 HD21 LEU A 105 -2.969 -2.409 2.457 1.00 1.93 H new ATOM 0 HD22 LEU A 105 -3.839 -3.953 2.293 1.00 1.93 H new ATOM 0 HD23 LEU A 105 -3.397 -3.348 3.907 1.00 1.93 H new ATOM 1563 N GLY A 106 1.220 -4.782 4.296 1.00 0.50 N ATOM 1564 CA GLY A 106 1.977 -3.880 5.133 1.00 0.51 C ATOM 1565 C GLY A 106 2.501 -2.754 4.260 1.00 0.46 C ATOM 1566 O GLY A 106 3.427 -2.948 3.470 1.00 0.50 O ATOM 0 H GLY A 106 1.590 -4.872 3.350 1.00 0.50 H new ATOM 0 HA2 GLY A 106 1.349 -3.483 5.930 1.00 0.51 H new ATOM 0 HA3 GLY A 106 2.803 -4.407 5.611 1.00 0.51 H new ATOM 1570 N CYS A 107 1.879 -1.579 4.364 1.00 0.71 N ATOM 1571 CA CYS A 107 2.222 -0.425 3.547 1.00 0.73 C ATOM 1572 C CYS A 107 3.109 0.533 4.326 1.00 0.74 C ATOM 1573 O CYS A 107 3.075 0.525 5.554 1.00 0.83 O ATOM 1574 CB CYS A 107 0.975 0.271 2.999 1.00 0.87 C ATOM 1575 SG CYS A 107 -0.104 -0.654 1.873 1.00 1.29 S ATOM 0 H CYS A 107 1.120 -1.405 5.022 1.00 0.71 H new ATOM 0 HA CYS A 107 2.786 -0.777 2.683 1.00 0.73 H new ATOM 0 HB2 CYS A 107 0.372 0.590 3.849 1.00 0.87 H new ATOM 0 HB3 CYS A 107 1.299 1.174 2.481 1.00 0.87 H new ATOM 1580 N GLY A 108 3.903 1.353 3.631 1.00 0.70 N ATOM 1581 CA GLY A 108 4.820 2.313 4.222 1.00 0.75 C ATOM 1582 C GLY A 108 4.610 3.669 3.557 1.00 0.83 C ATOM 1583 O GLY A 108 3.729 3.818 2.708 1.00 1.51 O ATOM 0 H GLY A 108 3.921 1.362 2.611 1.00 0.70 H new ATOM 0 HA2 GLY A 108 4.647 2.389 5.295 1.00 0.75 H new ATOM 0 HA3 GLY A 108 5.850 1.983 4.088 1.00 0.75 H new ATOM 1587 N ARG A 109 5.408 4.661 3.940 1.00 0.63 N ATOM 1588 CA ARG A 109 5.350 6.023 3.438 1.00 0.58 C ATOM 1589 C ARG A 109 6.633 6.723 3.879 1.00 0.61 C ATOM 1590 O ARG A 109 6.694 7.226 4.998 1.00 1.04 O ATOM 1591 CB ARG A 109 4.094 6.726 3.987 1.00 0.76 C ATOM 1592 CG ARG A 109 3.979 8.188 3.529 1.00 0.62 C ATOM 1593 CD ARG A 109 2.613 8.784 3.917 1.00 1.07 C ATOM 1594 NE ARG A 109 2.742 9.993 4.751 1.00 1.61 N ATOM 1595 CZ ARG A 109 3.175 10.013 6.023 1.00 2.83 C ATOM 1596 NH1 ARG A 109 3.156 8.892 6.748 1.00 3.51 N ATOM 1597 NH2 ARG A 109 3.621 11.150 6.554 1.00 4.10 N ATOM 0 H ARG A 109 6.141 4.529 4.637 1.00 0.63 H new ATOM 0 HA ARG A 109 5.279 6.048 2.351 1.00 0.58 H new ATOM 0 HB2 ARG A 109 3.208 6.179 3.665 1.00 0.76 H new ATOM 0 HB3 ARG A 109 4.112 6.692 5.076 1.00 0.76 H new ATOM 0 HG2 ARG A 109 4.778 8.777 3.979 1.00 0.62 H new ATOM 0 HG3 ARG A 109 4.111 8.245 2.449 1.00 0.62 H new ATOM 0 HD2 ARG A 109 2.056 9.028 3.012 1.00 1.07 H new ATOM 0 HD3 ARG A 109 2.033 8.035 4.456 1.00 1.07 H new ATOM 0 HE ARG A 109 2.482 10.885 4.329 1.00 1.61 H new ATOM 0 HH11 ARG A 109 2.814 8.024 6.336 1.00 3.51 H new ATOM 0 HH12 ARG A 109 3.484 8.904 7.714 1.00 3.51 H new ATOM 0 HH21 ARG A 109 3.633 12.003 5.995 1.00 4.10 H new ATOM 0 HH22 ARG A 109 3.950 11.167 7.519 1.00 4.10 H new ATOM 1611 N ALA A 110 7.657 6.759 3.027 1.00 0.67 N ATOM 1612 CA ALA A 110 8.766 7.691 3.207 1.00 0.58 C ATOM 1613 C ALA A 110 8.440 8.935 2.386 1.00 0.72 C ATOM 1614 O ALA A 110 7.632 8.853 1.459 1.00 1.03 O ATOM 1615 CB ALA A 110 10.079 7.059 2.733 1.00 0.55 C ATOM 0 H ALA A 110 7.740 6.156 2.209 1.00 0.67 H new ATOM 0 HA ALA A 110 8.892 7.946 4.259 1.00 0.58 H new ATOM 0 HB1 ALA A 110 10.895 7.767 2.874 1.00 0.55 H new ATOM 0 HB2 ALA A 110 10.278 6.156 3.311 1.00 0.55 H new ATOM 0 HB3 ALA A 110 9.999 6.803 1.676 1.00 0.55 H new ATOM 1621 N ARG A 111 9.067 10.074 2.680 1.00 0.65 N ATOM 1622 CA ARG A 111 9.156 11.165 1.727 1.00 0.70 C ATOM 1623 C ARG A 111 10.571 11.186 1.184 1.00 0.68 C ATOM 1624 O ARG A 111 11.517 11.285 1.965 1.00 0.95 O ATOM 1625 CB ARG A 111 8.789 12.505 2.370 1.00 0.91 C ATOM 1626 CG ARG A 111 8.414 13.499 1.262 1.00 1.18 C ATOM 1627 CD ARG A 111 7.930 14.837 1.818 1.00 1.69 C ATOM 1628 NE ARG A 111 9.025 15.754 2.181 1.00 1.84 N ATOM 1629 CZ ARG A 111 8.926 16.743 3.085 1.00 2.72 C ATOM 1630 NH1 ARG A 111 7.800 16.909 3.775 1.00 3.48 N ATOM 1631 NH2 ARG A 111 9.956 17.571 3.253 1.00 3.64 N ATOM 0 H ARG A 111 9.520 10.259 3.575 1.00 0.65 H new ATOM 0 HA ARG A 111 8.443 11.010 0.917 1.00 0.70 H new ATOM 0 HB2 ARG A 111 7.955 12.377 3.060 1.00 0.91 H new ATOM 0 HB3 ARG A 111 9.628 12.887 2.952 1.00 0.91 H new ATOM 0 HG2 ARG A 111 9.279 13.667 0.621 1.00 1.18 H new ATOM 0 HG3 ARG A 111 7.633 13.065 0.637 1.00 1.18 H new ATOM 0 HD2 ARG A 111 7.293 15.320 1.077 1.00 1.69 H new ATOM 0 HD3 ARG A 111 7.313 14.654 2.698 1.00 1.69 H new ATOM 0 HE ARG A 111 9.922 15.629 1.712 1.00 1.84 H new ATOM 0 HH11 ARG A 111 7.009 16.284 3.618 1.00 3.48 H new ATOM 0 HH12 ARG A 111 7.728 17.661 4.461 1.00 3.48 H new ATOM 0 HH21 ARG A 111 10.804 17.449 2.699 1.00 3.64 H new ATOM 0 HH22 ARG A 111 9.897 18.327 3.935 1.00 3.64 H new ATOM 1645 N CYS A 112 10.728 11.118 -0.132 1.00 0.74 N ATOM 1646 CA CYS A 112 12.055 11.204 -0.711 1.00 0.86 C ATOM 1647 C CYS A 112 12.568 12.608 -0.486 1.00 1.32 C ATOM 1648 O CYS A 112 11.815 13.576 -0.571 1.00 1.36 O ATOM 1649 CB CYS A 112 12.089 10.842 -2.200 1.00 1.07 C ATOM 1650 SG CYS A 112 11.181 9.344 -2.586 1.00 1.48 S ATOM 0 H CYS A 112 9.968 11.006 -0.803 1.00 0.74 H new ATOM 0 HA CYS A 112 12.696 10.471 -0.221 1.00 0.86 H new ATOM 0 HB2 CYS A 112 11.675 11.669 -2.777 1.00 1.07 H new ATOM 0 HB3 CYS A 112 13.126 10.721 -2.514 1.00 1.07 H new ATOM 1690 N TRP A 116 9.048 14.467 -3.141 1.00 1.85 N ATOM 1691 CA TRP A 116 7.777 13.791 -3.337 1.00 0.91 C ATOM 1692 C TRP A 116 7.672 12.653 -2.329 1.00 0.69 C ATOM 1693 O TRP A 116 8.680 12.202 -1.779 1.00 0.88 O ATOM 1694 CB TRP A 116 7.707 13.215 -4.755 1.00 1.00 C ATOM 1695 CG TRP A 116 7.602 14.178 -5.891 1.00 1.16 C ATOM 1696 CD1 TRP A 116 7.108 15.430 -5.837 1.00 1.80 C ATOM 1697 CD2 TRP A 116 8.002 13.979 -7.273 1.00 1.18 C ATOM 1698 NE1 TRP A 116 7.115 15.997 -7.091 1.00 2.08 N ATOM 1699 CE2 TRP A 116 7.677 15.150 -8.016 1.00 1.61 C ATOM 1700 CE3 TRP A 116 8.618 12.924 -7.968 1.00 1.46 C ATOM 1701 CZ2 TRP A 116 7.950 15.266 -9.384 1.00 1.77 C ATOM 1702 CZ3 TRP A 116 8.914 13.034 -9.337 1.00 1.77 C ATOM 1703 CH2 TRP A 116 8.586 14.203 -10.042 1.00 1.71 C ATOM 0 HA TRP A 116 6.959 14.498 -3.198 1.00 0.91 H new ATOM 0 HB2 TRP A 116 8.596 12.605 -4.913 1.00 1.00 H new ATOM 0 HB3 TRP A 116 6.848 12.545 -4.803 1.00 1.00 H new ATOM 0 HD1 TRP A 116 6.757 15.918 -4.940 1.00 1.80 H new ATOM 0 HE1 TRP A 116 6.751 16.925 -7.306 1.00 2.08 H new ATOM 0 HE3 TRP A 116 8.868 12.015 -7.442 1.00 1.46 H new ATOM 0 HZ2 TRP A 116 7.675 16.160 -9.924 1.00 1.77 H new ATOM 0 HZ3 TRP A 116 9.396 12.215 -9.850 1.00 1.77 H new ATOM 0 HH2 TRP A 116 8.824 14.284 -11.092 1.00 1.71 H new ATOM 1714 N TRP A 117 6.464 12.131 -2.151 1.00 0.66 N ATOM 1715 CA TRP A 117 6.208 11.026 -1.249 1.00 0.73 C ATOM 1716 C TRP A 117 6.523 9.721 -1.960 1.00 0.87 C ATOM 1717 O TRP A 117 6.614 9.681 -3.189 1.00 1.76 O ATOM 1718 CB TRP A 117 4.758 11.071 -0.774 1.00 0.99 C ATOM 1719 CG TRP A 117 4.487 12.207 0.157 1.00 1.10 C ATOM 1720 CD1 TRP A 117 4.042 13.429 -0.204 1.00 1.43 C ATOM 1721 CD2 TRP A 117 4.758 12.288 1.589 1.00 1.07 C ATOM 1722 NE1 TRP A 117 3.992 14.244 0.905 1.00 1.57 N ATOM 1723 CE2 TRP A 117 4.437 13.602 2.038 1.00 1.40 C ATOM 1724 CE3 TRP A 117 5.269 11.390 2.549 1.00 0.94 C ATOM 1725 CZ2 TRP A 117 4.604 14.001 3.371 1.00 1.59 C ATOM 1726 CZ3 TRP A 117 5.463 11.787 3.885 1.00 1.19 C ATOM 1727 CH2 TRP A 117 5.139 13.092 4.295 1.00 1.49 C ATOM 0 H TRP A 117 5.632 12.469 -2.634 1.00 0.66 H new ATOM 0 HA TRP A 117 6.847 11.102 -0.369 1.00 0.73 H new ATOM 0 HB2 TRP A 117 4.100 11.152 -1.639 1.00 0.99 H new ATOM 0 HB3 TRP A 117 4.515 10.133 -0.275 1.00 0.99 H new ATOM 0 HD1 TRP A 117 3.768 13.722 -1.207 1.00 1.43 H new ATOM 0 HE1 TRP A 117 3.664 15.210 0.889 1.00 1.57 H new ATOM 0 HE3 TRP A 117 5.516 10.381 2.254 1.00 0.94 H new ATOM 0 HZ2 TRP A 117 4.324 14.996 3.683 1.00 1.59 H new ATOM 0 HZ3 TRP A 117 5.864 11.084 4.600 1.00 1.19 H new ATOM 0 HH2 TRP A 117 5.302 13.394 5.319 1.00 1.49 H new ATOM 1738 N PHE A 118 6.765 8.677 -1.179 1.00 0.66 N ATOM 1739 CA PHE A 118 7.210 7.381 -1.652 1.00 0.62 C ATOM 1740 C PHE A 118 6.550 6.331 -0.781 1.00 0.74 C ATOM 1741 O PHE A 118 7.063 5.919 0.261 1.00 1.25 O ATOM 1742 CB PHE A 118 8.731 7.336 -1.595 1.00 0.64 C ATOM 1743 CG PHE A 118 9.401 6.275 -2.446 1.00 0.95 C ATOM 1744 CD1 PHE A 118 9.240 6.281 -3.844 1.00 1.99 C ATOM 1745 CD2 PHE A 118 10.261 5.336 -1.851 1.00 2.07 C ATOM 1746 CE1 PHE A 118 9.841 5.279 -4.624 1.00 2.21 C ATOM 1747 CE2 PHE A 118 10.855 4.329 -2.631 1.00 2.15 C ATOM 1748 CZ PHE A 118 10.618 4.280 -4.014 1.00 1.49 C ATOM 0 H PHE A 118 6.652 8.714 -0.166 1.00 0.66 H new ATOM 0 HA PHE A 118 6.927 7.192 -2.687 1.00 0.62 H new ATOM 0 HB2 PHE A 118 9.114 8.310 -1.898 1.00 0.64 H new ATOM 0 HB3 PHE A 118 9.031 7.183 -0.558 1.00 0.64 H new ATOM 0 HD1 PHE A 118 8.655 7.056 -4.317 1.00 1.99 H new ATOM 0 HD2 PHE A 118 10.466 5.388 -0.792 1.00 2.07 H new ATOM 0 HE1 PHE A 118 9.705 5.277 -5.695 1.00 2.21 H new ATOM 0 HE2 PHE A 118 11.494 3.593 -2.166 1.00 2.15 H new ATOM 0 HZ PHE A 118 11.031 3.477 -4.607 1.00 1.49 H new ATOM 1758 N ILE A 119 5.342 5.983 -1.192 1.00 0.43 N ATOM 1759 CA ILE A 119 4.533 4.965 -0.582 1.00 0.39 C ATOM 1760 C ILE A 119 4.933 3.666 -1.260 1.00 0.38 C ATOM 1761 O ILE A 119 4.462 3.366 -2.352 1.00 0.66 O ATOM 1762 CB ILE A 119 3.063 5.381 -0.750 1.00 0.41 C ATOM 1763 CG1 ILE A 119 2.800 6.493 0.282 1.00 0.49 C ATOM 1764 CG2 ILE A 119 2.112 4.187 -0.637 1.00 0.48 C ATOM 1765 CD1 ILE A 119 1.710 7.464 -0.169 1.00 0.85 C ATOM 0 H ILE A 119 4.889 6.425 -1.992 1.00 0.43 H new ATOM 0 HA ILE A 119 4.675 4.829 0.490 1.00 0.39 H new ATOM 0 HB ILE A 119 2.870 5.766 -1.751 1.00 0.41 H new ATOM 0 HG12 ILE A 119 2.510 6.042 1.231 1.00 0.49 H new ATOM 0 HG13 ILE A 119 3.723 7.045 0.460 1.00 0.49 H new ATOM 0 HG21 ILE A 119 1.084 4.527 -0.762 1.00 0.48 H new ATOM 0 HG22 ILE A 119 2.350 3.458 -1.412 1.00 0.48 H new ATOM 0 HG23 ILE A 119 2.224 3.724 0.343 1.00 0.48 H new ATOM 0 HD11 ILE A 119 1.564 8.228 0.595 1.00 0.85 H new ATOM 0 HD12 ILE A 119 2.009 7.938 -1.104 1.00 0.85 H new ATOM 0 HD13 ILE A 119 0.778 6.920 -0.320 1.00 0.85 H new ATOM 1777 N SER A 120 5.831 2.916 -0.628 1.00 0.75 N ATOM 1778 CA SER A 120 6.046 1.529 -0.984 1.00 0.74 C ATOM 1779 C SER A 120 4.995 0.752 -0.208 1.00 0.69 C ATOM 1780 O SER A 120 4.650 1.156 0.906 1.00 0.66 O ATOM 1781 CB SER A 120 7.453 1.095 -0.563 1.00 0.78 C ATOM 1782 OG SER A 120 8.422 1.975 -1.109 1.00 1.85 O ATOM 0 H SER A 120 6.420 3.252 0.134 1.00 0.75 H new ATOM 0 HA SER A 120 5.964 1.359 -2.058 1.00 0.74 H new ATOM 0 HB2 SER A 120 7.529 1.088 0.524 1.00 0.78 H new ATOM 0 HB3 SER A 120 7.644 0.077 -0.902 1.00 0.78 H new ATOM 0 HG SER A 120 9.226 1.468 -1.350 1.00 1.85 H new ATOM 1788 N CYS A 121 4.495 -0.352 -0.748 1.00 0.74 N ATOM 1789 CA CYS A 121 3.646 -1.233 0.027 1.00 0.71 C ATOM 1790 C CYS A 121 3.908 -2.684 -0.309 1.00 0.59 C ATOM 1791 O CYS A 121 3.894 -3.045 -1.483 1.00 0.72 O ATOM 1792 CB CYS A 121 2.173 -0.886 -0.144 1.00 0.86 C ATOM 1793 SG CYS A 121 1.174 -1.978 0.880 1.00 1.62 S ATOM 0 H CYS A 121 4.663 -0.652 -1.708 1.00 0.74 H new ATOM 0 HA CYS A 121 3.897 -1.084 1.077 1.00 0.71 H new ATOM 0 HB2 CYS A 121 1.999 0.153 0.136 1.00 0.86 H new ATOM 0 HB3 CYS A 121 1.884 -0.987 -1.190 1.00 0.86 H new ATOM 1798 N ASN A 122 4.198 -3.482 0.717 1.00 0.50 N ATOM 1799 CA ASN A 122 4.479 -4.900 0.619 1.00 0.45 C ATOM 1800 C ASN A 122 3.178 -5.670 0.797 1.00 0.47 C ATOM 1801 O ASN A 122 2.270 -5.230 1.504 1.00 0.60 O ATOM 1802 CB ASN A 122 5.477 -5.319 1.703 1.00 0.68 C ATOM 1803 CG ASN A 122 6.919 -5.039 1.312 1.00 1.29 C ATOM 1804 OD1 ASN A 122 7.501 -4.038 1.710 1.00 2.93 O ATOM 1805 ND2 ASN A 122 7.524 -5.940 0.545 1.00 1.17 N ATOM 0 H ASN A 122 4.244 -3.137 1.676 1.00 0.50 H new ATOM 0 HA ASN A 122 4.913 -5.118 -0.357 1.00 0.45 H new ATOM 0 HB2 ASN A 122 5.246 -4.790 2.628 1.00 0.68 H new ATOM 0 HB3 ASN A 122 5.360 -6.383 1.907 1.00 0.68 H new ATOM 0 HD21 ASN A 122 8.498 -5.807 0.273 1.00 1.17 H new ATOM 0 HD22 ASN A 122 7.014 -6.765 0.228 1.00 1.17 H new ATOM 1812 N TYR A 123 3.109 -6.821 0.137 1.00 0.50 N ATOM 1813 CA TYR A 123 2.005 -7.762 0.146 1.00 0.58 C ATOM 1814 C TYR A 123 2.667 -9.120 0.311 1.00 0.63 C ATOM 1815 O TYR A 123 3.773 -9.299 -0.206 1.00 0.70 O ATOM 1816 CB TYR A 123 1.262 -7.706 -1.196 1.00 0.61 C ATOM 1817 CG TYR A 123 0.598 -6.379 -1.497 1.00 0.60 C ATOM 1818 CD1 TYR A 123 1.381 -5.263 -1.842 1.00 1.96 C ATOM 1819 CD2 TYR A 123 -0.802 -6.255 -1.438 1.00 1.61 C ATOM 1820 CE1 TYR A 123 0.783 -4.010 -2.025 1.00 1.97 C ATOM 1821 CE2 TYR A 123 -1.402 -5.010 -1.686 1.00 1.57 C ATOM 1822 CZ TYR A 123 -0.598 -3.875 -1.866 1.00 0.61 C ATOM 1823 OH TYR A 123 -1.153 -2.640 -1.954 1.00 0.82 O ATOM 0 H TYR A 123 3.876 -7.138 -0.456 1.00 0.50 H new ATOM 0 HA TYR A 123 1.280 -7.550 0.932 1.00 0.58 H new ATOM 0 HB2 TYR A 123 1.967 -7.934 -1.996 1.00 0.61 H new ATOM 0 HB3 TYR A 123 0.503 -8.488 -1.208 1.00 0.61 H new ATOM 0 HD1 TYR A 123 2.448 -5.373 -1.966 1.00 1.96 H new ATOM 0 HD2 TYR A 123 -1.413 -7.114 -1.203 1.00 1.61 H new ATOM 0 HE1 TYR A 123 1.386 -3.153 -2.287 1.00 1.97 H new ATOM 0 HE2 TYR A 123 -2.478 -4.927 -1.738 1.00 1.57 H new ATOM 0 HH TYR A 123 -2.114 -2.699 -1.770 1.00 0.82 H new ATOM 1833 N ASP A 124 2.039 -10.041 1.038 1.00 0.68 N ATOM 1834 CA ASP A 124 2.625 -11.338 1.350 1.00 0.72 C ATOM 1835 C ASP A 124 1.535 -12.419 1.290 1.00 0.65 C ATOM 1836 O ASP A 124 0.386 -12.141 1.643 1.00 0.68 O ATOM 1837 CB ASP A 124 3.323 -11.249 2.712 1.00 1.00 C ATOM 1838 CG ASP A 124 3.962 -12.538 3.155 1.00 1.19 C ATOM 1839 OD1 ASP A 124 5.144 -12.734 2.803 1.00 2.05 O ATOM 1840 OD2 ASP A 124 3.310 -13.290 3.906 1.00 2.18 O ATOM 0 H ASP A 124 1.106 -9.906 1.428 1.00 0.68 H new ATOM 0 HA ASP A 124 3.382 -11.620 0.618 1.00 0.72 H new ATOM 0 HB2 ASP A 124 4.087 -10.473 2.668 1.00 1.00 H new ATOM 0 HB3 ASP A 124 2.596 -10.939 3.462 1.00 1.00 H new ATOM 1845 N PRO A 125 1.830 -13.631 0.798 1.00 0.76 N ATOM 1846 CA PRO A 125 3.003 -13.944 -0.002 1.00 0.93 C ATOM 1847 C PRO A 125 2.971 -13.140 -1.309 1.00 0.87 C ATOM 1848 O PRO A 125 2.055 -12.341 -1.532 1.00 0.82 O ATOM 1849 CB PRO A 125 2.923 -15.451 -0.254 1.00 1.18 C ATOM 1850 CG PRO A 125 1.421 -15.697 -0.287 1.00 1.12 C ATOM 1851 CD PRO A 125 0.896 -14.743 0.785 1.00 0.83 C ATOM 0 HA PRO A 125 3.938 -13.683 0.493 1.00 0.93 H new ATOM 0 HB2 PRO A 125 3.401 -15.732 -1.192 1.00 1.18 H new ATOM 0 HB3 PRO A 125 3.411 -16.022 0.536 1.00 1.18 H new ATOM 0 HG2 PRO A 125 0.997 -15.477 -1.267 1.00 1.12 H new ATOM 0 HG3 PRO A 125 1.176 -16.735 -0.060 1.00 1.12 H new ATOM 0 HD2 PRO A 125 -0.114 -14.406 0.551 1.00 0.83 H new ATOM 0 HD3 PRO A 125 0.852 -15.231 1.759 1.00 0.83 H new ATOM 1859 N VAL A 126 3.989 -13.325 -2.154 1.00 0.92 N ATOM 1860 CA VAL A 126 4.151 -12.526 -3.360 1.00 0.88 C ATOM 1861 C VAL A 126 2.882 -12.529 -4.213 1.00 0.80 C ATOM 1862 O VAL A 126 2.112 -13.492 -4.239 1.00 0.88 O ATOM 1863 CB VAL A 126 5.380 -12.948 -4.187 1.00 0.99 C ATOM 1864 CG1 VAL A 126 6.659 -12.902 -3.343 1.00 1.17 C ATOM 1865 CG2 VAL A 126 5.210 -14.331 -4.830 1.00 1.06 C ATOM 0 H VAL A 126 4.716 -14.028 -2.019 1.00 0.92 H new ATOM 0 HA VAL A 126 4.329 -11.503 -3.030 1.00 0.88 H new ATOM 0 HB VAL A 126 5.470 -12.224 -4.997 1.00 0.99 H new ATOM 0 HG11 VAL A 126 7.509 -13.205 -3.954 1.00 1.17 H new ATOM 0 HG12 VAL A 126 6.818 -11.887 -2.978 1.00 1.17 H new ATOM 0 HG13 VAL A 126 6.561 -13.581 -2.496 1.00 1.17 H new ATOM 0 HG21 VAL A 126 6.105 -14.579 -5.401 1.00 1.06 H new ATOM 0 HG22 VAL A 126 5.058 -15.078 -4.051 1.00 1.06 H new ATOM 0 HG23 VAL A 126 4.347 -14.319 -5.495 1.00 1.06 H new ATOM 1875 N GLY A 127 2.681 -11.439 -4.943 1.00 0.86 N ATOM 1876 CA GLY A 127 1.487 -11.231 -5.719 1.00 0.87 C ATOM 1877 C GLY A 127 1.767 -10.303 -6.881 1.00 0.71 C ATOM 1878 O GLY A 127 2.887 -9.813 -7.045 1.00 0.86 O ATOM 0 H GLY A 127 3.353 -10.675 -5.007 1.00 0.86 H new ATOM 0 HA2 GLY A 127 1.116 -12.186 -6.090 1.00 0.87 H new ATOM 0 HA3 GLY A 127 0.705 -10.808 -5.088 1.00 0.87 H new ATOM 1882 N ASN A 128 0.743 -10.134 -7.723 1.00 0.74 N ATOM 1883 CA ASN A 128 0.824 -9.421 -8.993 1.00 1.10 C ATOM 1884 C ASN A 128 2.012 -9.944 -9.805 1.00 1.51 C ATOM 1885 O ASN A 128 2.734 -9.198 -10.466 1.00 2.08 O ATOM 1886 CB ASN A 128 0.933 -7.939 -8.669 1.00 1.53 C ATOM 1887 CG ASN A 128 0.647 -7.017 -9.832 1.00 1.23 C ATOM 1888 OD1 ASN A 128 0.079 -7.419 -10.848 1.00 1.57 O ATOM 1889 ND2 ASN A 128 0.989 -5.745 -9.653 1.00 1.87 N ATOM 0 H ASN A 128 -0.189 -10.501 -7.531 1.00 0.74 H new ATOM 0 HA ASN A 128 -0.060 -9.582 -9.610 1.00 1.10 H new ATOM 0 HB2 ASN A 128 0.242 -7.706 -7.859 1.00 1.53 H new ATOM 0 HB3 ASN A 128 1.938 -7.735 -8.299 1.00 1.53 H new ATOM 0 HD21 ASN A 128 0.782 -5.055 -10.375 1.00 1.87 H new ATOM 0 HD22 ASN A 128 1.458 -5.459 -8.794 1.00 1.87 H new ATOM 1896 N TRP A 129 2.235 -11.242 -9.623 1.00 1.43 N ATOM 1897 CA TRP A 129 3.326 -12.073 -10.086 1.00 1.75 C ATOM 1898 C TRP A 129 2.822 -12.748 -11.366 1.00 2.30 C ATOM 1899 O TRP A 129 1.995 -12.167 -12.074 1.00 3.28 O ATOM 1900 CB TRP A 129 3.723 -12.920 -8.844 1.00 1.46 C ATOM 1901 CG TRP A 129 3.857 -14.409 -8.862 1.00 1.65 C ATOM 1902 CD1 TRP A 129 2.825 -15.276 -8.806 1.00 1.92 C ATOM 1903 CD2 TRP A 129 5.066 -15.223 -8.791 1.00 1.72 C ATOM 1904 NE1 TRP A 129 3.302 -16.564 -8.713 1.00 2.15 N ATOM 1905 CE2 TRP A 129 4.680 -16.594 -8.716 1.00 2.00 C ATOM 1906 CE3 TRP A 129 6.450 -14.944 -8.755 1.00 1.73 C ATOM 1907 CZ2 TRP A 129 5.618 -17.633 -8.639 1.00 2.17 C ATOM 1908 CZ3 TRP A 129 7.399 -15.980 -8.677 1.00 1.89 C ATOM 1909 CH2 TRP A 129 6.986 -17.322 -8.627 1.00 2.06 C ATOM 0 H TRP A 129 1.571 -11.796 -9.082 1.00 1.43 H new ATOM 0 HA TRP A 129 4.259 -11.609 -10.406 1.00 1.75 H new ATOM 0 HB2 TRP A 129 4.682 -12.531 -8.503 1.00 1.46 H new ATOM 0 HB3 TRP A 129 2.992 -12.688 -8.070 1.00 1.46 H new ATOM 0 HD1 TRP A 129 1.781 -15.001 -8.830 1.00 1.92 H new ATOM 0 HE1 TRP A 129 2.710 -17.392 -8.650 1.00 2.15 H new ATOM 0 HE3 TRP A 129 6.786 -13.918 -8.788 1.00 1.73 H new ATOM 0 HZ2 TRP A 129 5.291 -18.661 -8.589 1.00 2.17 H new ATOM 0 HZ3 TRP A 129 8.452 -15.742 -8.655 1.00 1.89 H new ATOM 0 HH2 TRP A 129 7.720 -18.113 -8.579 1.00 2.06 H new ATOM 1920 N ILE A 130 3.259 -13.971 -11.643 1.00 1.89 N ATOM 1921 CA ILE A 130 2.599 -14.923 -12.533 1.00 1.99 C ATOM 1922 C ILE A 130 1.093 -14.766 -12.451 1.00 3.21 C ATOM 1923 O ILE A 130 0.566 -14.517 -11.368 1.00 3.88 O ATOM 1924 CB ILE A 130 3.128 -16.355 -12.287 1.00 1.97 C ATOM 1925 CG1 ILE A 130 3.869 -16.918 -13.513 1.00 2.71 C ATOM 1926 CG2 ILE A 130 2.073 -17.346 -11.774 1.00 2.89 C ATOM 1927 CD1 ILE A 130 2.951 -17.354 -14.659 1.00 2.75 C ATOM 0 H ILE A 130 4.118 -14.343 -11.238 1.00 1.89 H new ATOM 0 HA ILE A 130 2.851 -14.707 -13.571 1.00 1.99 H new ATOM 0 HB ILE A 130 3.845 -16.244 -11.473 1.00 1.97 H new ATOM 0 HG12 ILE A 130 4.560 -16.161 -13.884 1.00 2.71 H new ATOM 0 HG13 ILE A 130 4.470 -17.772 -13.199 1.00 2.71 H new ATOM 0 HG21 ILE A 130 2.532 -18.324 -11.630 1.00 2.89 H new ATOM 0 HG22 ILE A 130 1.671 -16.990 -10.825 1.00 2.89 H new ATOM 0 HG23 ILE A 130 1.266 -17.428 -12.502 1.00 2.89 H new ATOM 0 HD11 ILE A 130 3.554 -17.738 -15.482 1.00 2.75 H new ATOM 0 HD12 ILE A 130 2.277 -18.135 -14.308 1.00 2.75 H new ATOM 0 HD13 ILE A 130 2.368 -16.500 -15.004 1.00 2.75 H new ATOM 1939 N GLY A 131 0.420 -14.846 -13.602 1.00 4.07 N ATOM 1940 CA GLY A 131 -1.001 -14.612 -13.791 1.00 5.81 C ATOM 1941 C GLY A 131 -1.868 -15.700 -13.172 1.00 4.97 C ATOM 1942 O GLY A 131 -2.847 -16.141 -13.771 1.00 6.07 O ATOM 0 H GLY A 131 0.887 -15.091 -14.475 1.00 4.07 H new ATOM 0 HA2 GLY A 131 -1.267 -13.650 -13.354 1.00 5.81 H new ATOM 0 HA3 GLY A 131 -1.215 -14.547 -14.858 1.00 5.81 H new ATOM 1946 N GLN A 132 -1.603 -16.041 -11.917 1.00 3.39 N ATOM 1947 CA GLN A 132 -2.269 -17.139 -11.222 1.00 2.93 C ATOM 1948 C GLN A 132 -3.622 -16.693 -10.641 1.00 1.97 C ATOM 1949 O GLN A 132 -4.011 -17.127 -9.561 1.00 2.21 O ATOM 1950 CB GLN A 132 -1.362 -17.624 -10.077 1.00 2.86 C ATOM 1951 CG GLN A 132 -1.014 -16.507 -9.076 1.00 3.07 C ATOM 1952 CD GLN A 132 -0.898 -16.949 -7.616 1.00 2.51 C ATOM 1953 OE1 GLN A 132 -1.681 -17.763 -7.143 1.00 3.12 O ATOM 1954 NE2 GLN A 132 0.046 -16.393 -6.860 1.00 2.36 N ATOM 0 H GLN A 132 -0.911 -15.557 -11.345 1.00 3.39 H new ATOM 0 HA GLN A 132 -2.452 -17.942 -11.936 1.00 2.93 H new ATOM 0 HB2 GLN A 132 -1.857 -18.438 -9.548 1.00 2.86 H new ATOM 0 HB3 GLN A 132 -0.441 -18.030 -10.496 1.00 2.86 H new ATOM 0 HG2 GLN A 132 -0.070 -16.054 -9.377 1.00 3.07 H new ATOM 0 HG3 GLN A 132 -1.776 -15.731 -9.144 1.00 3.07 H new ATOM 0 HE21 GLN A 132 0.692 -15.716 -7.266 1.00 2.36 H new ATOM 0 HE22 GLN A 132 0.123 -16.644 -5.874 1.00 2.36 H new ATOM 1963 N ARG A 133 -4.360 -15.870 -11.389 1.00 2.74 N ATOM 1964 CA ARG A 133 -5.597 -15.212 -10.994 1.00 2.01 C ATOM 1965 C ARG A 133 -5.366 -14.139 -9.915 1.00 1.59 C ATOM 1966 O ARG A 133 -4.816 -14.436 -8.858 1.00 1.67 O ATOM 1967 CB ARG A 133 -6.668 -16.196 -10.513 1.00 1.74 C ATOM 1968 CG ARG A 133 -6.981 -17.355 -11.463 1.00 2.00 C ATOM 1969 CD ARG A 133 -8.217 -18.116 -10.957 1.00 2.39 C ATOM 1970 NE ARG A 133 -8.032 -18.632 -9.586 1.00 3.30 N ATOM 1971 CZ ARG A 133 -8.587 -19.755 -9.110 1.00 4.65 C ATOM 1972 NH1 ARG A 133 -9.591 -20.310 -9.781 1.00 5.06 N ATOM 1973 NH2 ARG A 133 -8.144 -20.315 -7.986 1.00 6.28 N ATOM 0 H ARG A 133 -4.089 -15.634 -12.344 1.00 2.74 H new ATOM 0 HA ARG A 133 -5.963 -14.728 -11.900 1.00 2.01 H new ATOM 0 HB2 ARG A 133 -6.351 -16.611 -9.556 1.00 1.74 H new ATOM 0 HB3 ARG A 133 -7.589 -15.642 -10.330 1.00 1.74 H new ATOM 0 HG2 ARG A 133 -7.161 -16.976 -12.469 1.00 2.00 H new ATOM 0 HG3 ARG A 133 -6.126 -18.029 -11.525 1.00 2.00 H new ATOM 0 HD2 ARG A 133 -9.083 -17.455 -10.981 1.00 2.39 H new ATOM 0 HD3 ARG A 133 -8.431 -18.946 -11.630 1.00 2.39 H new ATOM 0 HE ARG A 133 -7.438 -18.094 -8.955 1.00 3.30 H new ATOM 0 HH11 ARG A 133 -9.927 -19.881 -10.643 1.00 5.06 H new ATOM 0 HH12 ARG A 133 -10.026 -21.165 -9.434 1.00 5.06 H new ATOM 0 HH21 ARG A 133 -7.371 -19.889 -7.474 1.00 6.28 H new ATOM 0 HH22 ARG A 133 -8.577 -21.170 -7.637 1.00 6.28 H new ATOM 1987 N PRO A 134 -5.782 -12.882 -10.147 1.00 1.33 N ATOM 1988 CA PRO A 134 -5.786 -11.863 -9.115 1.00 0.94 C ATOM 1989 C PRO A 134 -7.031 -11.953 -8.233 1.00 0.80 C ATOM 1990 O PRO A 134 -6.976 -11.538 -7.082 1.00 0.92 O ATOM 1991 CB PRO A 134 -5.747 -10.533 -9.864 1.00 0.98 C ATOM 1992 CG PRO A 134 -6.502 -10.842 -11.152 1.00 1.38 C ATOM 1993 CD PRO A 134 -6.199 -12.318 -11.420 1.00 1.60 C ATOM 0 HA PRO A 134 -4.938 -11.981 -8.441 1.00 0.94 H new ATOM 0 HB2 PRO A 134 -6.227 -9.736 -9.296 1.00 0.98 H new ATOM 0 HB3 PRO A 134 -4.725 -10.212 -10.063 1.00 0.98 H new ATOM 0 HG2 PRO A 134 -7.572 -10.670 -11.037 1.00 1.38 H new ATOM 0 HG3 PRO A 134 -6.163 -10.210 -11.973 1.00 1.38 H new ATOM 0 HD2 PRO A 134 -7.079 -12.833 -11.805 1.00 1.60 H new ATOM 0 HD3 PRO A 134 -5.415 -12.425 -12.169 1.00 1.60 H new ATOM 2001 N TYR A 135 -8.152 -12.437 -8.761 1.00 0.75 N ATOM 2002 CA TYR A 135 -9.390 -12.615 -8.027 1.00 0.72 C ATOM 2003 C TYR A 135 -9.882 -14.022 -8.329 1.00 0.96 C ATOM 2004 O TYR A 135 -10.275 -14.698 -7.354 1.00 2.20 O ATOM 2005 CB TYR A 135 -10.419 -11.549 -8.440 1.00 0.56 C ATOM 2006 CG TYR A 135 -10.675 -11.393 -9.932 1.00 0.70 C ATOM 2007 CD1 TYR A 135 -11.480 -12.323 -10.618 1.00 2.33 C ATOM 2008 CD2 TYR A 135 -10.215 -10.249 -10.612 1.00 1.55 C ATOM 2009 CE1 TYR A 135 -11.784 -12.132 -11.976 1.00 2.77 C ATOM 2010 CE2 TYR A 135 -10.499 -10.072 -11.975 1.00 1.57 C ATOM 2011 CZ TYR A 135 -11.256 -11.032 -12.664 1.00 1.71 C ATOM 2012 OH TYR A 135 -11.325 -10.992 -14.024 1.00 2.35 O ATOM 2013 OXT TYR A 135 -9.386 -14.551 -9.348 1.00 1.97 O ATOM 0 H TYR A 135 -8.220 -12.722 -9.738 1.00 0.75 H new ATOM 0 HA TYR A 135 -9.237 -12.494 -6.955 1.00 0.72 H new ATOM 0 HB2 TYR A 135 -11.366 -11.783 -7.954 1.00 0.56 H new ATOM 0 HB3 TYR A 135 -10.089 -10.587 -8.048 1.00 0.56 H new ATOM 0 HD1 TYR A 135 -11.865 -13.187 -10.097 1.00 2.33 H new ATOM 0 HD2 TYR A 135 -9.641 -9.504 -10.082 1.00 1.55 H new ATOM 0 HE1 TYR A 135 -12.425 -12.833 -12.490 1.00 2.77 H new ATOM 0 HE2 TYR A 135 -10.135 -9.197 -12.493 1.00 1.57 H new ATOM 0 HH TYR A 135 -11.256 -10.063 -14.328 1.00 2.35 H new