USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 987 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 44 ASN : amide:sc= -4.99! C(o=-8.1!,f=-23!) USER MOD Set 1.2: A 45 GLN : amide:sc= -3.13 X(o=-8.1,f=-7.9) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.4!) USER MOD Single : A 11 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -0.212 (180deg=-0.76) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 153:sc= 0 (180deg=-0.178) USER MOD Single : A 22 HIS : no HE2:sc= -7.49! C(o=-7.5!,f=-13!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -4.51! C(o=-5.4!,f=-4.5!) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= -0.774 (180deg=-2.51!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.709 K(o=-0.71,f=-4!) USER MOD Single : A 47 THR OG1 : rot -134:sc= 1.18 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.558 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 71 ASN : amide:sc= -0.668 K(o=-0.67,f=-3.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.013) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.898 F(o=-3.6,f=-0.9) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.103 F(o=-0.69,f=-0.1) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.344 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -90:sc= -7.11! USER MOD Single : A 91 THR OG1 : rot 82:sc= 0.0526 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 141:sc= -0.69 (180deg=-1.55!) USER MOD Single : A 101 SER OG : rot 116:sc= -5.02! USER MOD Single : A 103 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.722 X(o=-0.72,f=-1.2) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.744 1.716 1.025 1.00 0.20 N ATOM 16 CA GLN A 2 3.665 1.787 2.193 1.00 0.18 C ATOM 17 C GLN A 2 3.440 3.093 2.958 1.00 0.19 C ATOM 18 O GLN A 2 2.994 4.081 2.407 1.00 0.20 O ATOM 19 CB GLN A 2 5.112 1.728 1.701 1.00 0.14 C ATOM 20 CG GLN A 2 5.599 3.141 1.374 1.00 0.58 C ATOM 21 CD GLN A 2 6.599 3.079 0.219 1.00 1.25 C ATOM 22 OE1 GLN A 2 7.777 2.871 0.430 1.00 1.73 O ATOM 23 NE2 GLN A 2 6.176 3.246 -1.003 1.00 1.59 N ATOM 0 HA GLN A 2 3.467 0.946 2.857 1.00 0.18 H new ATOM 0 HB2 GLN A 2 5.749 1.280 2.464 1.00 0.14 H new ATOM 0 HB3 GLN A 2 5.181 1.095 0.817 1.00 0.14 H new ATOM 0 HG2 GLN A 2 4.755 3.775 1.105 1.00 0.58 H new ATOM 0 HG3 GLN A 2 6.067 3.588 2.251 1.00 0.58 H new ATOM 0 HE21 GLN A 2 5.187 3.421 -1.181 1.00 1.59 H new ATOM 0 HE22 GLN A 2 6.834 3.202 -1.781 1.00 1.59 H new ATOM 32 N VAL A 3 3.751 3.105 4.226 1.00 0.19 N ATOM 33 CA VAL A 3 3.565 4.343 5.031 1.00 0.19 C ATOM 34 C VAL A 3 4.931 4.979 5.295 1.00 0.20 C ATOM 35 O VAL A 3 5.957 4.343 5.155 1.00 0.18 O ATOM 36 CB VAL A 3 2.905 3.987 6.366 1.00 0.19 C ATOM 37 CG1 VAL A 3 1.397 3.827 6.165 1.00 0.18 C ATOM 38 CG2 VAL A 3 3.488 2.672 6.891 1.00 0.16 C ATOM 0 H VAL A 3 4.127 2.308 4.739 1.00 0.19 H new ATOM 0 HA VAL A 3 2.931 5.043 4.487 1.00 0.19 H new ATOM 0 HB VAL A 3 3.095 4.783 7.086 1.00 0.19 H new ATOM 0 HG11 VAL A 3 0.928 3.574 7.116 1.00 0.18 H new ATOM 0 HG12 VAL A 3 0.979 4.762 5.792 1.00 0.18 H new ATOM 0 HG13 VAL A 3 1.208 3.032 5.444 1.00 0.18 H new ATOM 0 HG21 VAL A 3 3.018 2.419 7.841 1.00 0.16 H new ATOM 0 HG22 VAL A 3 3.299 1.877 6.170 1.00 0.16 H new ATOM 0 HG23 VAL A 3 4.563 2.783 7.036 1.00 0.16 H new ATOM 48 N ASP A 4 4.956 6.227 5.682 1.00 0.27 N ATOM 49 CA ASP A 4 6.261 6.892 5.958 1.00 0.30 C ATOM 50 C ASP A 4 6.586 6.761 7.449 1.00 0.24 C ATOM 51 O ASP A 4 5.796 7.113 8.302 1.00 0.37 O ATOM 52 CB ASP A 4 6.176 8.369 5.572 1.00 0.57 C ATOM 53 CG ASP A 4 6.262 8.500 4.050 1.00 2.31 C ATOM 54 OD1 ASP A 4 7.359 8.395 3.528 1.00 3.36 O ATOM 55 OD2 ASP A 4 5.231 8.703 3.433 1.00 3.13 O ATOM 0 H ASP A 4 4.132 6.812 5.818 1.00 0.27 H new ATOM 0 HA ASP A 4 7.048 6.417 5.372 1.00 0.30 H new ATOM 0 HB2 ASP A 4 5.241 8.798 5.933 1.00 0.57 H new ATOM 0 HB3 ASP A 4 6.985 8.927 6.043 1.00 0.57 H new ATOM 60 N VAL A 5 7.743 6.250 7.762 1.00 0.19 N ATOM 61 CA VAL A 5 8.133 6.082 9.192 1.00 0.35 C ATOM 62 C VAL A 5 9.633 6.357 9.332 1.00 0.62 C ATOM 63 O VAL A 5 10.368 6.334 8.365 1.00 0.75 O ATOM 64 CB VAL A 5 7.844 4.643 9.622 1.00 0.30 C ATOM 65 CG1 VAL A 5 6.359 4.337 9.421 1.00 0.14 C ATOM 66 CG2 VAL A 5 8.683 3.683 8.776 1.00 0.45 C ATOM 0 H VAL A 5 8.441 5.939 7.086 1.00 0.19 H new ATOM 0 HA VAL A 5 7.569 6.774 9.817 1.00 0.35 H new ATOM 0 HB VAL A 5 8.099 4.519 10.675 1.00 0.30 H new ATOM 0 HG11 VAL A 5 6.154 3.311 9.728 1.00 0.14 H new ATOM 0 HG12 VAL A 5 5.762 5.022 10.023 1.00 0.14 H new ATOM 0 HG13 VAL A 5 6.101 4.459 8.369 1.00 0.14 H new ATOM 0 HG21 VAL A 5 8.479 2.656 9.080 1.00 0.45 H new ATOM 0 HG22 VAL A 5 8.427 3.807 7.724 1.00 0.45 H new ATOM 0 HG23 VAL A 5 9.741 3.901 8.920 1.00 0.45 H new ATOM 76 N LYS A 6 10.097 6.600 10.524 1.00 0.72 N ATOM 77 CA LYS A 6 11.549 6.854 10.717 1.00 0.96 C ATOM 78 C LYS A 6 12.133 5.692 11.519 1.00 0.84 C ATOM 79 O LYS A 6 11.927 5.582 12.712 1.00 0.69 O ATOM 80 CB LYS A 6 11.744 8.166 11.482 1.00 1.15 C ATOM 81 CG LYS A 6 11.613 9.345 10.515 1.00 2.28 C ATOM 82 CD LYS A 6 12.440 10.524 11.031 1.00 2.12 C ATOM 83 CE LYS A 6 11.555 11.429 11.886 1.00 2.23 C ATOM 84 NZ LYS A 6 11.828 11.170 13.327 1.00 4.21 N ATOM 0 H LYS A 6 9.533 6.634 11.373 1.00 0.72 H new ATOM 0 HA LYS A 6 12.052 6.934 9.753 1.00 0.96 H new ATOM 0 HB2 LYS A 6 11.003 8.250 12.277 1.00 1.15 H new ATOM 0 HB3 LYS A 6 12.724 8.180 11.958 1.00 1.15 H new ATOM 0 HG2 LYS A 6 11.955 9.054 9.522 1.00 2.28 H new ATOM 0 HG3 LYS A 6 10.567 9.636 10.419 1.00 2.28 H new ATOM 0 HD2 LYS A 6 13.283 10.161 11.619 1.00 2.12 H new ATOM 0 HD3 LYS A 6 12.853 11.087 10.194 1.00 2.12 H new ATOM 0 HE2 LYS A 6 11.750 12.475 11.650 1.00 2.23 H new ATOM 0 HE3 LYS A 6 10.504 11.243 11.664 1.00 2.23 H new ATOM 0 HZ1 LYS A 6 11.226 11.786 13.910 1.00 4.21 H new ATOM 0 HZ2 LYS A 6 11.621 10.175 13.546 1.00 4.21 H new ATOM 0 HZ3 LYS A 6 12.828 11.369 13.532 1.00 4.21 H new ATOM 98 N ASP A 7 12.843 4.816 10.870 1.00 0.95 N ATOM 99 CA ASP A 7 13.422 3.647 11.585 1.00 0.87 C ATOM 100 C ASP A 7 14.059 4.096 12.901 1.00 0.81 C ATOM 101 O ASP A 7 15.056 4.790 12.916 1.00 1.05 O ATOM 102 CB ASP A 7 14.486 2.987 10.705 1.00 1.21 C ATOM 103 CG ASP A 7 13.849 1.848 9.907 1.00 0.62 C ATOM 104 OD1 ASP A 7 12.634 1.745 9.926 1.00 0.59 O ATOM 105 OD2 ASP A 7 14.588 1.097 9.290 1.00 0.85 O ATOM 0 H ASP A 7 13.048 4.859 9.872 1.00 0.95 H new ATOM 0 HA ASP A 7 12.627 2.933 11.800 1.00 0.87 H new ATOM 0 HB2 ASP A 7 14.921 3.722 10.027 1.00 1.21 H new ATOM 0 HB3 ASP A 7 15.298 2.603 11.323 1.00 1.21 H new ATOM 110 N CYS A 8 13.497 3.689 14.006 1.00 0.63 N ATOM 111 CA CYS A 8 14.073 4.073 15.323 1.00 0.79 C ATOM 112 C CYS A 8 15.201 3.095 15.668 1.00 0.72 C ATOM 113 O CYS A 8 15.920 3.273 16.631 1.00 0.69 O ATOM 114 CB CYS A 8 12.983 4.009 16.399 1.00 0.91 C ATOM 115 SG CYS A 8 13.421 2.764 17.635 1.00 0.54 S ATOM 0 H CYS A 8 12.662 3.106 14.052 1.00 0.63 H new ATOM 0 HA CYS A 8 14.465 5.089 15.278 1.00 0.79 H new ATOM 0 HB2 CYS A 8 12.870 4.983 16.874 1.00 0.91 H new ATOM 0 HB3 CYS A 8 12.023 3.763 15.944 1.00 0.91 H new ATOM 120 N ALA A 9 15.358 2.059 14.882 1.00 0.71 N ATOM 121 CA ALA A 9 16.436 1.066 15.153 1.00 0.66 C ATOM 122 C ALA A 9 17.717 1.504 14.457 1.00 0.78 C ATOM 123 O ALA A 9 18.618 2.046 15.068 1.00 0.97 O ATOM 124 CB ALA A 9 16.029 -0.301 14.599 1.00 0.60 C ATOM 0 H ALA A 9 14.783 1.860 14.063 1.00 0.71 H new ATOM 0 HA ALA A 9 16.595 1.001 16.229 1.00 0.66 H new ATOM 0 HB1 ALA A 9 16.819 -1.025 14.799 1.00 0.60 H new ATOM 0 HB2 ALA A 9 15.107 -0.629 15.080 1.00 0.60 H new ATOM 0 HB3 ALA A 9 15.870 -0.225 13.523 1.00 0.60 H new ATOM 130 N ASN A 10 17.810 1.259 13.180 1.00 0.68 N ATOM 131 CA ASN A 10 19.038 1.645 12.444 1.00 0.78 C ATOM 132 C ASN A 10 18.913 1.227 10.979 1.00 0.77 C ATOM 133 O ASN A 10 19.690 0.436 10.482 1.00 0.77 O ATOM 134 CB ASN A 10 20.223 0.924 13.081 1.00 0.80 C ATOM 135 CG ASN A 10 21.017 1.909 13.938 1.00 0.99 C ATOM 136 OD1 ASN A 10 20.626 3.048 14.096 1.00 1.19 O ATOM 137 ND2 ASN A 10 22.125 1.516 14.503 1.00 1.36 N ATOM 0 H ASN A 10 17.088 0.809 12.618 1.00 0.68 H new ATOM 0 HA ASN A 10 19.181 2.724 12.492 1.00 0.78 H new ATOM 0 HB2 ASN A 10 19.871 0.094 13.694 1.00 0.80 H new ATOM 0 HB3 ASN A 10 20.863 0.500 12.307 1.00 0.80 H new ATOM 0 HD21 ASN A 10 22.663 2.165 15.077 1.00 1.36 H new ATOM 0 HD22 ASN A 10 22.454 0.560 14.371 1.00 1.36 H new ATOM 144 N ASN A 11 17.941 1.751 10.283 1.00 0.77 N ATOM 145 CA ASN A 11 17.772 1.378 8.850 1.00 0.76 C ATOM 146 C ASN A 11 17.590 -0.140 8.738 1.00 0.57 C ATOM 147 O ASN A 11 17.757 -0.721 7.683 1.00 0.52 O ATOM 148 CB ASN A 11 19.017 1.804 8.070 1.00 0.96 C ATOM 149 CG ASN A 11 18.672 1.939 6.587 1.00 0.90 C ATOM 150 OD1 ASN A 11 18.705 0.972 5.852 1.00 0.85 O ATOM 151 ND2 ASN A 11 18.337 3.108 6.111 1.00 0.92 N ATOM 0 H ASN A 11 17.259 2.419 10.643 1.00 0.77 H new ATOM 0 HA ASN A 11 16.895 1.878 8.439 1.00 0.76 H new ATOM 0 HB2 ASN A 11 19.392 2.753 8.454 1.00 0.96 H new ATOM 0 HB3 ASN A 11 19.811 1.069 8.204 1.00 0.96 H new ATOM 0 HD21 ASN A 11 18.103 3.209 5.123 1.00 0.92 H new ATOM 0 HD22 ASN A 11 18.309 3.920 6.727 1.00 0.92 H new ATOM 158 N GLU A 12 17.251 -0.784 9.822 1.00 0.49 N ATOM 159 CA GLU A 12 17.058 -2.262 9.787 1.00 0.36 C ATOM 160 C GLU A 12 15.825 -2.599 8.946 1.00 0.21 C ATOM 161 O GLU A 12 15.927 -3.192 7.890 1.00 0.25 O ATOM 162 CB GLU A 12 16.862 -2.783 11.213 1.00 0.26 C ATOM 163 CG GLU A 12 17.763 -4.001 11.439 1.00 0.33 C ATOM 164 CD GLU A 12 19.114 -3.540 11.990 1.00 0.47 C ATOM 165 OE1 GLU A 12 19.153 -2.486 12.602 1.00 0.84 O ATOM 166 OE2 GLU A 12 20.086 -4.248 11.788 1.00 1.41 O ATOM 0 H GLU A 12 17.099 -0.349 10.732 1.00 0.49 H new ATOM 0 HA GLU A 12 17.936 -2.732 9.344 1.00 0.36 H new ATOM 0 HB2 GLU A 12 17.102 -2.001 11.934 1.00 0.26 H new ATOM 0 HB3 GLU A 12 15.818 -3.054 11.372 1.00 0.26 H new ATOM 0 HG2 GLU A 12 17.290 -4.692 12.137 1.00 0.33 H new ATOM 0 HG3 GLU A 12 17.905 -4.541 10.503 1.00 0.33 H new ATOM 173 N ILE A 13 14.655 -2.231 9.402 1.00 0.15 N ATOM 174 CA ILE A 13 13.425 -2.546 8.616 1.00 0.20 C ATOM 175 C ILE A 13 13.550 -1.967 7.205 1.00 0.28 C ATOM 176 O ILE A 13 13.693 -0.775 7.021 1.00 0.61 O ATOM 177 CB ILE A 13 12.192 -1.952 9.306 1.00 0.39 C ATOM 178 CG1 ILE A 13 12.183 -2.352 10.784 1.00 0.43 C ATOM 179 CG2 ILE A 13 10.921 -2.480 8.637 1.00 0.49 C ATOM 180 CD1 ILE A 13 10.783 -2.836 11.173 1.00 0.34 C ATOM 0 H ILE A 13 14.499 -1.730 10.277 1.00 0.15 H new ATOM 0 HA ILE A 13 13.313 -3.629 8.556 1.00 0.20 H new ATOM 0 HB ILE A 13 12.227 -0.866 9.221 1.00 0.39 H new ATOM 0 HG12 ILE A 13 12.915 -3.140 10.963 1.00 0.43 H new ATOM 0 HG13 ILE A 13 12.471 -1.503 11.403 1.00 0.43 H new ATOM 0 HG21 ILE A 13 10.047 -2.055 9.130 1.00 0.49 H new ATOM 0 HG22 ILE A 13 10.918 -2.195 7.585 1.00 0.49 H new ATOM 0 HG23 ILE A 13 10.891 -3.567 8.718 1.00 0.49 H new ATOM 0 HD11 ILE A 13 10.776 -3.121 12.225 1.00 0.34 H new ATOM 0 HD12 ILE A 13 10.062 -2.035 11.009 1.00 0.34 H new ATOM 0 HD13 ILE A 13 10.513 -3.697 10.562 1.00 0.34 H new ATOM 192 N LYS A 14 13.494 -2.809 6.207 1.00 0.14 N ATOM 193 CA LYS A 14 13.606 -2.324 4.806 1.00 0.13 C ATOM 194 C LYS A 14 12.462 -1.362 4.509 1.00 0.23 C ATOM 195 O LYS A 14 12.595 -0.464 3.701 1.00 0.54 O ATOM 196 CB LYS A 14 13.521 -3.517 3.845 1.00 0.37 C ATOM 197 CG LYS A 14 14.703 -4.457 4.087 1.00 0.50 C ATOM 198 CD LYS A 14 15.998 -3.768 3.654 1.00 0.68 C ATOM 199 CE LYS A 14 16.700 -3.185 4.881 1.00 0.81 C ATOM 200 NZ LYS A 14 17.122 -1.786 4.589 1.00 2.02 N ATOM 0 H LYS A 14 13.375 -3.817 6.306 1.00 0.14 H new ATOM 0 HA LYS A 14 14.560 -1.813 4.675 1.00 0.13 H new ATOM 0 HB2 LYS A 14 12.582 -4.051 3.994 1.00 0.37 H new ATOM 0 HB3 LYS A 14 13.528 -3.167 2.813 1.00 0.37 H new ATOM 0 HG2 LYS A 14 14.757 -4.727 5.142 1.00 0.50 H new ATOM 0 HG3 LYS A 14 14.566 -5.382 3.528 1.00 0.50 H new ATOM 0 HD2 LYS A 14 16.652 -4.481 3.152 1.00 0.68 H new ATOM 0 HD3 LYS A 14 15.779 -2.977 2.937 1.00 0.68 H new ATOM 0 HE2 LYS A 14 16.030 -3.203 5.740 1.00 0.81 H new ATOM 0 HE3 LYS A 14 17.567 -3.792 5.141 1.00 0.81 H new ATOM 0 HZ1 LYS A 14 17.103 -1.227 5.466 1.00 2.02 H new ATOM 0 HZ2 LYS A 14 18.087 -1.788 4.201 1.00 2.02 H new ATOM 0 HZ3 LYS A 14 16.471 -1.365 3.896 1.00 2.02 H new ATOM 214 N LYS A 15 11.343 -1.542 5.163 1.00 0.15 N ATOM 215 CA LYS A 15 10.170 -0.651 4.930 1.00 0.37 C ATOM 216 C LYS A 15 8.946 -1.275 5.594 1.00 0.31 C ATOM 217 O LYS A 15 8.658 -2.442 5.417 1.00 0.20 O ATOM 218 CB LYS A 15 9.884 -0.511 3.427 1.00 0.56 C ATOM 219 CG LYS A 15 9.150 -1.757 2.932 1.00 0.84 C ATOM 220 CD LYS A 15 8.901 -1.637 1.428 1.00 0.71 C ATOM 221 CE LYS A 15 9.473 -2.864 0.716 1.00 0.59 C ATOM 222 NZ LYS A 15 9.079 -2.834 -0.719 1.00 0.62 N ATOM 0 H LYS A 15 11.192 -2.276 5.855 1.00 0.15 H new ATOM 0 HA LYS A 15 10.387 0.333 5.346 1.00 0.37 H new ATOM 0 HB2 LYS A 15 9.281 0.378 3.242 1.00 0.56 H new ATOM 0 HB3 LYS A 15 10.817 -0.383 2.878 1.00 0.56 H new ATOM 0 HG2 LYS A 15 9.740 -2.648 3.144 1.00 0.84 H new ATOM 0 HG3 LYS A 15 8.203 -1.869 3.461 1.00 0.84 H new ATOM 0 HD2 LYS A 15 7.832 -1.555 1.231 1.00 0.71 H new ATOM 0 HD3 LYS A 15 9.367 -0.730 1.043 1.00 0.71 H new ATOM 0 HE2 LYS A 15 10.559 -2.876 0.806 1.00 0.59 H new ATOM 0 HE3 LYS A 15 9.104 -3.775 1.186 1.00 0.59 H new ATOM 0 HZ1 LYS A 15 9.468 -3.668 -1.203 1.00 0.62 H new ATOM 0 HZ2 LYS A 15 8.042 -2.842 -0.794 1.00 0.62 H new ATOM 0 HZ3 LYS A 15 9.452 -1.971 -1.163 1.00 0.62 H new ATOM 236 N VAL A 16 8.223 -0.510 6.349 1.00 0.43 N ATOM 237 CA VAL A 16 7.014 -1.053 7.016 1.00 0.38 C ATOM 238 C VAL A 16 5.784 -0.463 6.322 1.00 0.35 C ATOM 239 O VAL A 16 5.710 0.726 6.079 1.00 0.29 O ATOM 240 CB VAL A 16 7.064 -0.661 8.489 1.00 0.38 C ATOM 241 CG1 VAL A 16 6.025 0.424 8.780 1.00 0.43 C ATOM 242 CG2 VAL A 16 6.778 -1.890 9.355 1.00 0.40 C ATOM 0 H VAL A 16 8.416 0.474 6.535 1.00 0.43 H new ATOM 0 HA VAL A 16 6.967 -2.140 6.948 1.00 0.38 H new ATOM 0 HB VAL A 16 8.056 -0.273 8.721 1.00 0.38 H new ATOM 0 HG11 VAL A 16 6.069 0.697 9.834 1.00 0.43 H new ATOM 0 HG12 VAL A 16 6.235 1.302 8.169 1.00 0.43 H new ATOM 0 HG13 VAL A 16 5.030 0.047 8.544 1.00 0.43 H new ATOM 0 HG21 VAL A 16 6.814 -1.610 10.408 1.00 0.40 H new ATOM 0 HG22 VAL A 16 5.789 -2.281 9.117 1.00 0.40 H new ATOM 0 HG23 VAL A 16 7.528 -2.656 9.158 1.00 0.40 H new ATOM 252 N MET A 17 4.839 -1.286 5.955 1.00 0.36 N ATOM 253 CA MET A 17 3.649 -0.762 5.228 1.00 0.31 C ATOM 254 C MET A 17 2.357 -1.103 5.973 1.00 0.27 C ATOM 255 O MET A 17 2.272 -2.080 6.685 1.00 0.26 O ATOM 256 CB MET A 17 3.607 -1.400 3.838 1.00 0.36 C ATOM 257 CG MET A 17 4.995 -1.326 3.197 1.00 0.41 C ATOM 258 SD MET A 17 5.265 -2.793 2.171 1.00 0.12 S ATOM 259 CE MET A 17 5.822 -3.893 3.495 1.00 0.65 C ATOM 0 H MET A 17 4.840 -2.292 6.126 1.00 0.36 H new ATOM 0 HA MET A 17 3.729 0.323 5.155 1.00 0.31 H new ATOM 0 HB2 MET A 17 3.285 -2.439 3.913 1.00 0.36 H new ATOM 0 HB3 MET A 17 2.878 -0.885 3.212 1.00 0.36 H new ATOM 0 HG2 MET A 17 5.080 -0.424 2.590 1.00 0.41 H new ATOM 0 HG3 MET A 17 5.761 -1.263 3.970 1.00 0.41 H new ATOM 0 HE1 MET A 17 5.596 -4.926 3.229 1.00 0.65 H new ATOM 0 HE2 MET A 17 6.897 -3.781 3.633 1.00 0.65 H new ATOM 0 HE3 MET A 17 5.309 -3.636 4.422 1.00 0.65 H new ATOM 269 N VAL A 18 1.341 -0.304 5.790 1.00 0.30 N ATOM 270 CA VAL A 18 0.038 -0.573 6.459 1.00 0.32 C ATOM 271 C VAL A 18 -1.065 -0.583 5.394 1.00 0.38 C ATOM 272 O VAL A 18 -1.177 0.328 4.599 1.00 0.62 O ATOM 273 CB VAL A 18 -0.248 0.525 7.482 1.00 0.34 C ATOM 274 CG1 VAL A 18 -1.274 0.020 8.500 1.00 0.53 C ATOM 275 CG2 VAL A 18 1.049 0.892 8.207 1.00 0.59 C ATOM 0 H VAL A 18 1.359 0.529 5.202 1.00 0.30 H new ATOM 0 HA VAL A 18 0.072 -1.535 6.970 1.00 0.32 H new ATOM 0 HB VAL A 18 -0.644 1.404 6.973 1.00 0.34 H new ATOM 0 HG11 VAL A 18 -1.478 0.803 9.230 1.00 0.53 H new ATOM 0 HG12 VAL A 18 -2.197 -0.246 7.985 1.00 0.53 H new ATOM 0 HG13 VAL A 18 -0.878 -0.858 9.011 1.00 0.53 H new ATOM 0 HG21 VAL A 18 0.848 1.675 8.938 1.00 0.59 H new ATOM 0 HG22 VAL A 18 1.442 0.012 8.717 1.00 0.59 H new ATOM 0 HG23 VAL A 18 1.782 1.250 7.484 1.00 0.59 H new ATOM 285 N ASP A 19 -1.867 -1.610 5.360 1.00 0.39 N ATOM 286 CA ASP A 19 -2.948 -1.682 4.333 1.00 0.51 C ATOM 287 C ASP A 19 -3.901 -0.491 4.473 1.00 0.87 C ATOM 288 O ASP A 19 -4.652 -0.181 3.567 1.00 2.45 O ATOM 289 CB ASP A 19 -3.731 -2.983 4.515 1.00 0.40 C ATOM 290 CG ASP A 19 -4.199 -3.492 3.150 1.00 0.48 C ATOM 291 OD1 ASP A 19 -4.935 -2.775 2.493 1.00 0.23 O ATOM 292 OD2 ASP A 19 -3.813 -4.590 2.786 1.00 1.33 O ATOM 0 H ASP A 19 -1.822 -2.404 5.999 1.00 0.39 H new ATOM 0 HA ASP A 19 -2.496 -1.654 3.342 1.00 0.51 H new ATOM 0 HB2 ASP A 19 -3.105 -3.732 4.999 1.00 0.40 H new ATOM 0 HB3 ASP A 19 -4.589 -2.816 5.166 1.00 0.40 H new ATOM 297 N GLY A 20 -3.884 0.181 5.592 1.00 0.91 N ATOM 298 CA GLY A 20 -4.798 1.348 5.775 1.00 0.79 C ATOM 299 C GLY A 20 -4.120 2.618 5.259 1.00 0.69 C ATOM 300 O GLY A 20 -4.172 2.928 4.085 1.00 1.13 O ATOM 0 H GLY A 20 -3.279 -0.026 6.387 1.00 0.91 H new ATOM 0 HA2 GLY A 20 -5.732 1.179 5.239 1.00 0.79 H new ATOM 0 HA3 GLY A 20 -5.052 1.462 6.829 1.00 0.79 H new ATOM 304 N CYS A 21 -3.481 3.356 6.126 1.00 0.51 N ATOM 305 CA CYS A 21 -2.796 4.599 5.680 1.00 0.45 C ATOM 306 C CYS A 21 -1.968 4.290 4.431 1.00 0.60 C ATOM 307 O CYS A 21 -1.852 3.151 4.026 1.00 0.69 O ATOM 308 CB CYS A 21 -1.884 5.105 6.798 1.00 0.52 C ATOM 309 SG CYS A 21 -1.914 6.915 6.836 1.00 0.53 S ATOM 0 H CYS A 21 -3.405 3.151 7.122 1.00 0.51 H new ATOM 0 HA CYS A 21 -3.533 5.368 5.446 1.00 0.45 H new ATOM 0 HB2 CYS A 21 -2.213 4.706 7.758 1.00 0.52 H new ATOM 0 HB3 CYS A 21 -0.865 4.752 6.638 1.00 0.52 H new ATOM 314 N HIS A 22 -1.399 5.286 3.806 1.00 0.91 N ATOM 315 CA HIS A 22 -0.598 5.016 2.579 1.00 1.25 C ATOM 316 C HIS A 22 0.670 5.874 2.564 1.00 0.89 C ATOM 317 O HIS A 22 1.430 5.844 1.617 1.00 0.92 O ATOM 318 CB HIS A 22 -1.441 5.344 1.346 1.00 1.95 C ATOM 319 CG HIS A 22 -1.753 6.814 1.328 1.00 1.54 C ATOM 320 ND1 HIS A 22 -1.332 7.647 0.304 1.00 2.83 N ATOM 321 CD2 HIS A 22 -2.442 7.615 2.204 1.00 2.69 C ATOM 322 CE1 HIS A 22 -1.766 8.889 0.587 1.00 4.03 C ATOM 323 NE2 HIS A 22 -2.449 8.925 1.735 1.00 4.38 N ATOM 0 H HIS A 22 -1.453 6.265 4.089 1.00 0.91 H new ATOM 0 HA HIS A 22 -0.311 3.964 2.571 1.00 1.25 H new ATOM 0 HB2 HIS A 22 -0.903 5.065 0.440 1.00 1.95 H new ATOM 0 HB3 HIS A 22 -2.365 4.766 1.360 1.00 1.95 H new ATOM 0 HD1 HIS A 22 -0.791 7.369 -0.515 1.00 2.83 H new ATOM 0 HD2 HIS A 22 -2.908 7.279 3.119 1.00 2.69 H new ATOM 0 HE1 HIS A 22 -1.584 9.751 -0.037 1.00 4.03 H new ATOM 331 N GLY A 23 0.915 6.638 3.597 1.00 0.85 N ATOM 332 CA GLY A 23 2.149 7.478 3.601 1.00 1.21 C ATOM 333 C GLY A 23 1.988 8.684 4.533 1.00 0.40 C ATOM 334 O GLY A 23 1.186 8.681 5.448 1.00 0.66 O ATOM 0 H GLY A 23 0.325 6.716 4.425 1.00 0.85 H new ATOM 0 HA2 GLY A 23 3.001 6.878 3.921 1.00 1.21 H new ATOM 0 HA3 GLY A 23 2.363 7.822 2.589 1.00 1.21 H new ATOM 338 N SER A 24 2.763 9.714 4.303 1.00 0.63 N ATOM 339 CA SER A 24 2.697 10.933 5.164 1.00 1.07 C ATOM 340 C SER A 24 1.245 11.279 5.494 1.00 0.82 C ATOM 341 O SER A 24 0.945 11.734 6.579 1.00 1.24 O ATOM 342 CB SER A 24 3.336 12.109 4.429 1.00 1.88 C ATOM 343 OG SER A 24 3.689 13.114 5.369 1.00 2.75 O ATOM 0 H SER A 24 3.446 9.762 3.547 1.00 0.63 H new ATOM 0 HA SER A 24 3.234 10.734 6.092 1.00 1.07 H new ATOM 0 HB2 SER A 24 4.220 11.776 3.886 1.00 1.88 H new ATOM 0 HB3 SER A 24 2.642 12.512 3.691 1.00 1.88 H new ATOM 0 HG SER A 24 4.101 13.870 4.901 1.00 2.75 H new ATOM 349 N ASP A 25 0.348 11.076 4.568 1.00 0.42 N ATOM 350 CA ASP A 25 -1.084 11.402 4.829 1.00 0.08 C ATOM 351 C ASP A 25 -1.451 10.996 6.259 1.00 0.25 C ATOM 352 O ASP A 25 -0.804 10.158 6.853 1.00 0.40 O ATOM 353 CB ASP A 25 -1.963 10.642 3.834 1.00 0.31 C ATOM 354 CG ASP A 25 -2.085 11.449 2.540 1.00 1.17 C ATOM 355 OD1 ASP A 25 -1.055 11.779 1.971 1.00 2.12 O ATOM 356 OD2 ASP A 25 -3.203 11.722 2.137 1.00 1.01 O ATOM 0 H ASP A 25 0.545 10.698 3.641 1.00 0.42 H new ATOM 0 HA ASP A 25 -1.243 12.474 4.710 1.00 0.08 H new ATOM 0 HB2 ASP A 25 -1.531 9.663 3.625 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -2.950 10.470 4.262 1.00 0.31 H new ATOM 361 N PRO A 26 -2.478 11.620 6.765 1.00 0.30 N ATOM 362 CA PRO A 26 -2.972 11.374 8.131 1.00 0.48 C ATOM 363 C PRO A 26 -3.763 10.065 8.194 1.00 0.65 C ATOM 364 O PRO A 26 -4.537 9.752 7.311 1.00 0.83 O ATOM 365 CB PRO A 26 -3.880 12.576 8.402 1.00 0.51 C ATOM 366 CG PRO A 26 -4.297 13.126 7.018 1.00 0.46 C ATOM 367 CD PRO A 26 -3.244 12.629 6.011 1.00 0.30 C ATOM 0 HA PRO A 26 -2.171 11.274 8.864 1.00 0.48 H new ATOM 0 HB2 PRO A 26 -4.754 12.280 8.982 1.00 0.51 H new ATOM 0 HB3 PRO A 26 -3.356 13.337 8.981 1.00 0.51 H new ATOM 0 HG2 PRO A 26 -5.291 12.773 6.745 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -4.338 14.215 7.030 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -3.711 12.197 5.126 1.00 0.30 H new ATOM 0 HD3 PRO A 26 -2.604 13.442 5.669 1.00 0.30 H new ATOM 375 N CYS A 27 -3.573 9.302 9.234 1.00 0.62 N ATOM 376 CA CYS A 27 -4.307 8.014 9.361 1.00 0.76 C ATOM 377 C CYS A 27 -5.227 8.073 10.585 1.00 0.61 C ATOM 378 O CYS A 27 -4.823 8.470 11.658 1.00 0.47 O ATOM 379 CB CYS A 27 -3.297 6.878 9.530 1.00 0.93 C ATOM 380 SG CYS A 27 -1.717 7.369 8.796 1.00 0.70 S ATOM 0 H CYS A 27 -2.939 9.516 10.004 1.00 0.62 H new ATOM 0 HA CYS A 27 -4.907 7.839 8.468 1.00 0.76 H new ATOM 0 HB2 CYS A 27 -3.164 6.648 10.587 1.00 0.93 H new ATOM 0 HB3 CYS A 27 -3.668 5.972 9.051 1.00 0.93 H new ATOM 385 N ILE A 28 -6.462 7.676 10.436 1.00 0.65 N ATOM 386 CA ILE A 28 -7.397 7.704 11.591 1.00 0.53 C ATOM 387 C ILE A 28 -7.539 6.291 12.135 1.00 0.50 C ATOM 388 O ILE A 28 -8.130 5.432 11.513 1.00 0.46 O ATOM 389 CB ILE A 28 -8.770 8.209 11.149 1.00 0.59 C ATOM 390 CG1 ILE A 28 -8.643 9.637 10.612 1.00 0.61 C ATOM 391 CG2 ILE A 28 -9.720 8.201 12.349 1.00 0.54 C ATOM 392 CD1 ILE A 28 -8.048 10.540 11.695 1.00 0.52 C ATOM 0 H ILE A 28 -6.862 7.334 9.562 1.00 0.65 H new ATOM 0 HA ILE A 28 -7.005 8.372 12.358 1.00 0.53 H new ATOM 0 HB ILE A 28 -9.161 7.561 10.365 1.00 0.59 H new ATOM 0 HG12 ILE A 28 -8.009 9.648 9.726 1.00 0.61 H new ATOM 0 HG13 ILE A 28 -9.621 10.011 10.309 1.00 0.61 H new ATOM 0 HG21 ILE A 28 -10.701 8.561 12.039 1.00 0.54 H new ATOM 0 HG22 ILE A 28 -9.811 7.185 12.734 1.00 0.54 H new ATOM 0 HG23 ILE A 28 -9.325 8.851 13.130 1.00 0.54 H new ATOM 0 HD11 ILE A 28 -7.958 11.557 11.312 1.00 0.52 H new ATOM 0 HD12 ILE A 28 -8.700 10.538 12.569 1.00 0.52 H new ATOM 0 HD13 ILE A 28 -7.062 10.170 11.976 1.00 0.52 H new ATOM 404 N ILE A 29 -7.000 6.036 13.288 1.00 0.51 N ATOM 405 CA ILE A 29 -7.106 4.670 13.857 1.00 0.47 C ATOM 406 C ILE A 29 -8.337 4.590 14.758 1.00 0.40 C ATOM 407 O ILE A 29 -8.393 5.203 15.807 1.00 0.28 O ATOM 408 CB ILE A 29 -5.847 4.362 14.676 1.00 0.45 C ATOM 409 CG1 ILE A 29 -4.680 4.071 13.728 1.00 0.62 C ATOM 410 CG2 ILE A 29 -6.096 3.143 15.565 1.00 0.38 C ATOM 411 CD1 ILE A 29 -3.390 4.659 14.308 1.00 0.37 C ATOM 0 H ILE A 29 -6.492 6.711 13.860 1.00 0.51 H new ATOM 0 HA ILE A 29 -7.201 3.943 13.050 1.00 0.47 H new ATOM 0 HB ILE A 29 -5.604 5.221 15.301 1.00 0.45 H new ATOM 0 HG12 ILE A 29 -4.571 2.996 13.588 1.00 0.62 H new ATOM 0 HG13 ILE A 29 -4.879 4.501 12.747 1.00 0.62 H new ATOM 0 HG21 ILE A 29 -5.199 2.927 16.146 1.00 0.38 H new ATOM 0 HG22 ILE A 29 -6.925 3.349 16.242 1.00 0.38 H new ATOM 0 HG23 ILE A 29 -6.341 2.283 14.942 1.00 0.38 H new ATOM 0 HD11 ILE A 29 -2.560 4.452 13.633 1.00 0.37 H new ATOM 0 HD12 ILE A 29 -3.502 5.737 14.425 1.00 0.37 H new ATOM 0 HD13 ILE A 29 -3.189 4.208 15.280 1.00 0.37 H new ATOM 423 N HIS A 30 -9.317 3.816 14.373 1.00 0.49 N ATOM 424 CA HIS A 30 -10.528 3.678 15.225 1.00 0.42 C ATOM 425 C HIS A 30 -10.282 2.517 16.187 1.00 0.31 C ATOM 426 O HIS A 30 -10.286 1.367 15.794 1.00 0.38 O ATOM 427 CB HIS A 30 -11.760 3.378 14.360 1.00 0.59 C ATOM 428 CG HIS A 30 -11.913 4.431 13.297 1.00 0.85 C ATOM 429 ND1 HIS A 30 -10.995 5.168 12.590 1.00 0.79 N flip ATOM 430 CD2 HIS A 30 -13.156 4.831 12.833 1.00 1.36 C flip ATOM 431 CE1 HIS A 30 -11.656 6.011 11.701 1.00 1.03 C flip ATOM 432 NE2 HIS A 30 -12.956 5.768 11.888 1.00 1.40 N flip ATOM 0 H HIS A 30 -9.329 3.276 13.508 1.00 0.49 H new ATOM 0 HA HIS A 30 -10.713 4.604 15.769 1.00 0.42 H new ATOM 0 HB2 HIS A 30 -11.660 2.396 13.898 1.00 0.59 H new ATOM 0 HB3 HIS A 30 -12.653 3.347 14.984 1.00 0.59 H new ATOM 0 HD2 HIS A 30 -14.112 4.458 13.169 1.00 1.36 H new ATOM 0 HE1 HIS A 30 -11.213 6.711 11.009 1.00 1.03 H new ATOM 0 HE2 HIS A 30 -13.705 6.235 11.377 1.00 1.40 H new ATOM 440 N ARG A 31 -10.033 2.800 17.433 1.00 0.23 N ATOM 441 CA ARG A 31 -9.752 1.695 18.389 1.00 0.33 C ATOM 442 C ARG A 31 -10.763 0.564 18.195 1.00 0.39 C ATOM 443 O ARG A 31 -11.879 0.778 17.764 1.00 0.48 O ATOM 444 CB ARG A 31 -9.825 2.205 19.822 1.00 0.43 C ATOM 445 CG ARG A 31 -11.113 2.991 20.024 1.00 0.45 C ATOM 446 CD ARG A 31 -10.875 4.033 21.107 1.00 0.54 C ATOM 447 NE ARG A 31 -12.091 4.164 21.959 1.00 0.83 N ATOM 448 CZ ARG A 31 -12.000 4.708 23.143 1.00 0.94 C ATOM 449 NH1 ARG A 31 -11.671 5.965 23.260 1.00 0.94 N ATOM 450 NH2 ARG A 31 -12.239 3.994 24.210 1.00 1.08 N ATOM 0 H ARG A 31 -10.012 3.740 17.829 1.00 0.23 H new ATOM 0 HA ARG A 31 -8.748 1.317 18.197 1.00 0.33 H new ATOM 0 HB2 ARG A 31 -9.786 1.367 20.518 1.00 0.43 H new ATOM 0 HB3 ARG A 31 -8.964 2.838 20.037 1.00 0.43 H new ATOM 0 HG2 ARG A 31 -11.413 3.473 19.093 1.00 0.45 H new ATOM 0 HG3 ARG A 31 -11.924 2.322 20.313 1.00 0.45 H new ATOM 0 HD2 ARG A 31 -10.020 3.745 21.719 1.00 0.54 H new ATOM 0 HD3 ARG A 31 -10.633 4.994 20.653 1.00 0.54 H new ATOM 0 HE ARG A 31 -12.992 3.830 21.618 1.00 0.83 H new ATOM 0 HH11 ARG A 31 -11.485 6.523 22.427 1.00 0.94 H new ATOM 0 HH12 ARG A 31 -11.600 6.390 24.185 1.00 0.94 H new ATOM 0 HH21 ARG A 31 -12.497 3.011 24.119 1.00 1.08 H new ATOM 0 HH22 ARG A 31 -12.168 4.419 25.135 1.00 1.08 H new ATOM 464 N GLY A 32 -10.375 -0.640 18.513 1.00 0.35 N ATOM 465 CA GLY A 32 -11.303 -1.793 18.356 1.00 0.41 C ATOM 466 C GLY A 32 -11.064 -2.464 16.996 1.00 0.38 C ATOM 467 O GLY A 32 -11.487 -3.580 16.760 1.00 0.42 O ATOM 0 H GLY A 32 -9.451 -0.875 18.876 1.00 0.35 H new ATOM 0 HA2 GLY A 32 -11.146 -2.512 19.160 1.00 0.41 H new ATOM 0 HA3 GLY A 32 -12.336 -1.454 18.429 1.00 0.41 H new ATOM 471 N LYS A 33 -10.385 -1.793 16.100 1.00 0.31 N ATOM 472 CA LYS A 33 -10.115 -2.395 14.759 1.00 0.32 C ATOM 473 C LYS A 33 -8.676 -2.902 14.710 1.00 0.24 C ATOM 474 O LYS A 33 -7.811 -2.391 15.395 1.00 0.13 O ATOM 475 CB LYS A 33 -10.315 -1.344 13.658 1.00 0.34 C ATOM 476 CG LYS A 33 -8.950 -0.867 13.140 1.00 0.31 C ATOM 477 CD LYS A 33 -9.150 0.139 12.004 1.00 0.81 C ATOM 478 CE LYS A 33 -10.300 1.079 12.355 1.00 0.90 C ATOM 479 NZ LYS A 33 -11.571 0.532 11.804 1.00 2.11 N ATOM 0 H LYS A 33 -10.007 -0.856 16.239 1.00 0.31 H new ATOM 0 HA LYS A 33 -10.807 -3.222 14.597 1.00 0.32 H new ATOM 0 HB2 LYS A 33 -10.897 -1.768 12.840 1.00 0.34 H new ATOM 0 HB3 LYS A 33 -10.882 -0.499 14.048 1.00 0.34 H new ATOM 0 HG2 LYS A 33 -8.384 -0.407 13.950 1.00 0.31 H new ATOM 0 HG3 LYS A 33 -8.367 -1.718 12.787 1.00 0.31 H new ATOM 0 HD2 LYS A 33 -8.235 0.710 11.844 1.00 0.81 H new ATOM 0 HD3 LYS A 33 -9.366 -0.385 11.073 1.00 0.81 H new ATOM 0 HE2 LYS A 33 -10.377 1.189 13.437 1.00 0.90 H new ATOM 0 HE3 LYS A 33 -10.111 2.072 11.946 1.00 0.90 H new ATOM 0 HZ1 LYS A 33 -12.008 1.236 11.176 1.00 2.11 H new ATOM 0 HZ2 LYS A 33 -11.371 -0.335 11.266 1.00 2.11 H new ATOM 0 HZ3 LYS A 33 -12.222 0.313 12.585 1.00 2.11 H new ATOM 493 N PRO A 34 -8.467 -3.895 13.893 1.00 0.31 N ATOM 494 CA PRO A 34 -7.147 -4.512 13.709 1.00 0.29 C ATOM 495 C PRO A 34 -6.290 -3.687 12.744 1.00 0.30 C ATOM 496 O PRO A 34 -6.631 -3.509 11.591 1.00 0.37 O ATOM 497 CB PRO A 34 -7.472 -5.872 13.090 1.00 0.40 C ATOM 498 CG PRO A 34 -8.862 -5.724 12.427 1.00 0.50 C ATOM 499 CD PRO A 34 -9.539 -4.504 13.082 1.00 0.44 C ATOM 0 HA PRO A 34 -6.583 -4.583 14.639 1.00 0.29 H new ATOM 0 HB2 PRO A 34 -6.718 -6.155 12.355 1.00 0.40 H new ATOM 0 HB3 PRO A 34 -7.485 -6.653 13.851 1.00 0.40 H new ATOM 0 HG2 PRO A 34 -8.764 -5.580 11.351 1.00 0.50 H new ATOM 0 HG3 PRO A 34 -9.459 -6.624 12.575 1.00 0.50 H new ATOM 0 HD2 PRO A 34 -9.918 -3.808 12.334 1.00 0.44 H new ATOM 0 HD3 PRO A 34 -10.387 -4.801 13.699 1.00 0.44 H new ATOM 507 N PHE A 35 -5.168 -3.209 13.199 1.00 0.28 N ATOM 508 CA PHE A 35 -4.266 -2.427 12.308 1.00 0.31 C ATOM 509 C PHE A 35 -3.194 -3.388 11.807 1.00 0.26 C ATOM 510 O PHE A 35 -2.440 -3.938 12.581 1.00 0.31 O ATOM 511 CB PHE A 35 -3.615 -1.304 13.107 1.00 0.40 C ATOM 512 CG PHE A 35 -3.290 -0.129 12.212 1.00 0.48 C ATOM 513 CD1 PHE A 35 -4.307 0.732 11.778 1.00 0.52 C ATOM 514 CD2 PHE A 35 -1.964 0.108 11.830 1.00 0.54 C ATOM 515 CE1 PHE A 35 -3.995 1.826 10.959 1.00 0.62 C ATOM 516 CE2 PHE A 35 -1.653 1.202 11.015 1.00 0.64 C ATOM 517 CZ PHE A 35 -2.668 2.061 10.578 1.00 0.69 C ATOM 0 H PHE A 35 -4.834 -3.326 14.156 1.00 0.28 H new ATOM 0 HA PHE A 35 -4.816 -1.988 11.476 1.00 0.31 H new ATOM 0 HB2 PHE A 35 -4.284 -0.985 13.906 1.00 0.40 H new ATOM 0 HB3 PHE A 35 -2.704 -1.669 13.581 1.00 0.40 H new ATOM 0 HD1 PHE A 35 -5.330 0.553 12.074 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -1.180 -0.555 12.165 1.00 0.54 H new ATOM 0 HE1 PHE A 35 -4.779 2.488 10.622 1.00 0.62 H new ATOM 0 HE2 PHE A 35 -0.629 1.384 10.723 1.00 0.64 H new ATOM 0 HZ PHE A 35 -2.428 2.904 9.947 1.00 0.69 H new ATOM 527 N THR A 36 -3.138 -3.625 10.533 1.00 0.19 N ATOM 528 CA THR A 36 -2.133 -4.593 10.012 1.00 0.22 C ATOM 529 C THR A 36 -0.884 -3.868 9.524 1.00 0.17 C ATOM 530 O THR A 36 -0.952 -2.926 8.762 1.00 0.22 O ATOM 531 CB THR A 36 -2.744 -5.386 8.854 1.00 0.39 C ATOM 532 OG1 THR A 36 -3.982 -5.946 9.267 1.00 0.69 O ATOM 533 CG2 THR A 36 -1.787 -6.507 8.437 1.00 0.33 C ATOM 0 H THR A 36 -3.739 -3.195 9.830 1.00 0.19 H new ATOM 0 HA THR A 36 -1.850 -5.268 10.820 1.00 0.22 H new ATOM 0 HB THR A 36 -2.910 -4.721 8.006 1.00 0.39 H new ATOM 0 HG1 THR A 36 -4.375 -6.453 8.526 1.00 0.69 H new ATOM 0 HG21 THR A 36 -2.224 -7.070 7.612 1.00 0.33 H new ATOM 0 HG22 THR A 36 -0.838 -6.076 8.119 1.00 0.33 H new ATOM 0 HG23 THR A 36 -1.617 -7.174 9.282 1.00 0.33 H new ATOM 541 N LEU A 37 0.264 -4.322 9.943 1.00 0.09 N ATOM 542 CA LEU A 37 1.522 -3.682 9.486 1.00 0.11 C ATOM 543 C LEU A 37 2.515 -4.779 9.089 1.00 0.09 C ATOM 544 O LEU A 37 2.599 -5.819 9.710 1.00 0.41 O ATOM 545 CB LEU A 37 2.137 -2.789 10.585 1.00 0.22 C ATOM 546 CG LEU A 37 1.518 -3.054 11.968 1.00 0.31 C ATOM 547 CD1 LEU A 37 0.033 -2.690 11.961 1.00 0.34 C ATOM 548 CD2 LEU A 37 1.688 -4.526 12.357 1.00 0.34 C ATOM 0 H LEU A 37 0.382 -5.108 10.582 1.00 0.09 H new ATOM 0 HA LEU A 37 1.299 -3.043 8.632 1.00 0.11 H new ATOM 0 HB2 LEU A 37 3.212 -2.963 10.631 1.00 0.22 H new ATOM 0 HB3 LEU A 37 1.994 -1.741 10.320 1.00 0.22 H new ATOM 0 HG LEU A 37 2.034 -2.433 12.700 1.00 0.31 H new ATOM 0 HD11 LEU A 37 -0.393 -2.882 12.946 1.00 0.34 H new ATOM 0 HD12 LEU A 37 -0.082 -1.634 11.716 1.00 0.34 H new ATOM 0 HD13 LEU A 37 -0.486 -3.294 11.217 1.00 0.34 H new ATOM 0 HD21 LEU A 37 1.245 -4.697 13.338 1.00 0.34 H new ATOM 0 HD22 LEU A 37 1.191 -5.157 11.620 1.00 0.34 H new ATOM 0 HD23 LEU A 37 2.749 -4.773 12.390 1.00 0.34 H new ATOM 560 N GLU A 38 3.259 -4.555 8.049 1.00 0.31 N ATOM 561 CA GLU A 38 4.242 -5.574 7.594 1.00 0.26 C ATOM 562 C GLU A 38 5.630 -4.938 7.602 1.00 0.25 C ATOM 563 O GLU A 38 5.833 -3.889 7.027 1.00 0.28 O ATOM 564 CB GLU A 38 3.892 -6.001 6.168 1.00 0.32 C ATOM 565 CG GLU A 38 3.545 -7.490 6.139 1.00 0.56 C ATOM 566 CD GLU A 38 3.826 -8.041 4.740 1.00 0.34 C ATOM 567 OE1 GLU A 38 4.970 -7.981 4.322 1.00 0.69 O ATOM 568 OE2 GLU A 38 2.892 -8.510 4.110 1.00 1.16 O ATOM 0 H GLU A 38 3.230 -3.703 7.488 1.00 0.31 H new ATOM 0 HA GLU A 38 4.222 -6.444 8.251 1.00 0.26 H new ATOM 0 HB2 GLU A 38 3.049 -5.415 5.801 1.00 0.32 H new ATOM 0 HB3 GLU A 38 4.732 -5.802 5.503 1.00 0.32 H new ATOM 0 HG2 GLU A 38 4.135 -8.028 6.881 1.00 0.56 H new ATOM 0 HG3 GLU A 38 2.496 -7.637 6.398 1.00 0.56 H new ATOM 575 N ALA A 39 6.591 -5.539 8.244 1.00 0.26 N ATOM 576 CA ALA A 39 7.935 -4.911 8.255 1.00 0.29 C ATOM 577 C ALA A 39 9.007 -5.940 7.928 1.00 0.24 C ATOM 578 O ALA A 39 9.185 -6.916 8.630 1.00 0.20 O ATOM 579 CB ALA A 39 8.216 -4.323 9.634 1.00 0.33 C ATOM 0 H ALA A 39 6.506 -6.420 8.751 1.00 0.26 H new ATOM 0 HA ALA A 39 7.954 -4.123 7.502 1.00 0.29 H new ATOM 0 HB1 ALA A 39 9.204 -3.863 9.639 1.00 0.33 H new ATOM 0 HB2 ALA A 39 7.464 -3.570 9.869 1.00 0.33 H new ATOM 0 HB3 ALA A 39 8.182 -5.116 10.381 1.00 0.33 H new ATOM 585 N LEU A 40 9.758 -5.701 6.894 1.00 0.30 N ATOM 586 CA LEU A 40 10.857 -6.635 6.555 1.00 0.32 C ATOM 587 C LEU A 40 12.060 -6.146 7.338 1.00 0.29 C ATOM 588 O LEU A 40 12.207 -4.965 7.547 1.00 0.30 O ATOM 589 CB LEU A 40 11.155 -6.581 5.054 1.00 0.41 C ATOM 590 CG LEU A 40 9.927 -7.040 4.271 1.00 0.67 C ATOM 591 CD1 LEU A 40 9.692 -6.095 3.091 1.00 0.47 C ATOM 592 CD2 LEU A 40 10.164 -8.460 3.753 1.00 0.90 C ATOM 0 H LEU A 40 9.657 -4.900 6.271 1.00 0.30 H new ATOM 0 HA LEU A 40 10.600 -7.666 6.800 1.00 0.32 H new ATOM 0 HB2 LEU A 40 11.426 -5.566 4.763 1.00 0.41 H new ATOM 0 HB3 LEU A 40 12.008 -7.218 4.819 1.00 0.41 H new ATOM 0 HG LEU A 40 9.051 -7.029 4.920 1.00 0.67 H new ATOM 0 HD11 LEU A 40 8.816 -6.422 2.532 1.00 0.47 H new ATOM 0 HD12 LEU A 40 9.529 -5.083 3.462 1.00 0.47 H new ATOM 0 HD13 LEU A 40 10.564 -6.105 2.437 1.00 0.47 H new ATOM 0 HD21 LEU A 40 9.290 -8.794 3.193 1.00 0.90 H new ATOM 0 HD22 LEU A 40 11.038 -8.469 3.101 1.00 0.90 H new ATOM 0 HD23 LEU A 40 10.333 -9.131 4.595 1.00 0.90 H new ATOM 604 N PHE A 41 12.903 -7.008 7.810 1.00 0.27 N ATOM 605 CA PHE A 41 14.052 -6.502 8.604 1.00 0.21 C ATOM 606 C PHE A 41 15.188 -7.510 8.592 1.00 0.22 C ATOM 607 O PHE A 41 14.980 -8.703 8.660 1.00 0.26 O ATOM 608 CB PHE A 41 13.599 -6.260 10.042 1.00 0.19 C ATOM 609 CG PHE A 41 12.871 -7.476 10.545 1.00 0.19 C ATOM 610 CD1 PHE A 41 13.589 -8.511 11.149 1.00 0.17 C ATOM 611 CD2 PHE A 41 11.481 -7.568 10.408 1.00 0.24 C ATOM 612 CE1 PHE A 41 12.921 -9.642 11.620 1.00 0.17 C ATOM 613 CE2 PHE A 41 10.805 -8.700 10.879 1.00 0.25 C ATOM 614 CZ PHE A 41 11.526 -9.741 11.486 1.00 0.20 C ATOM 0 H PHE A 41 12.853 -8.019 7.687 1.00 0.27 H new ATOM 0 HA PHE A 41 14.407 -5.570 8.164 1.00 0.21 H new ATOM 0 HB2 PHE A 41 14.460 -6.049 10.676 1.00 0.19 H new ATOM 0 HB3 PHE A 41 12.948 -5.387 10.088 1.00 0.19 H new ATOM 0 HD1 PHE A 41 14.661 -8.436 11.251 1.00 0.17 H new ATOM 0 HD2 PHE A 41 10.930 -6.766 9.939 1.00 0.24 H new ATOM 0 HE1 PHE A 41 13.477 -10.441 12.088 1.00 0.17 H new ATOM 0 HE2 PHE A 41 9.732 -8.772 10.776 1.00 0.25 H new ATOM 0 HZ PHE A 41 11.009 -10.617 11.849 1.00 0.20 H new ATOM 624 N ASP A 42 16.396 -7.041 8.525 1.00 0.23 N ATOM 625 CA ASP A 42 17.546 -7.981 8.524 1.00 0.28 C ATOM 626 C ASP A 42 17.909 -8.314 9.966 1.00 0.26 C ATOM 627 O ASP A 42 18.398 -7.485 10.707 1.00 0.26 O ATOM 628 CB ASP A 42 18.743 -7.332 7.826 1.00 0.35 C ATOM 629 CG ASP A 42 18.325 -6.855 6.435 1.00 0.56 C ATOM 630 OD1 ASP A 42 18.083 -7.699 5.587 1.00 0.77 O ATOM 631 OD2 ASP A 42 18.253 -5.653 6.240 1.00 1.36 O ATOM 0 H ASP A 42 16.639 -6.052 8.471 1.00 0.23 H new ATOM 0 HA ASP A 42 17.278 -8.893 7.990 1.00 0.28 H new ATOM 0 HB2 ASP A 42 19.109 -6.492 8.415 1.00 0.35 H new ATOM 0 HB3 ASP A 42 19.562 -8.047 7.746 1.00 0.35 H new ATOM 636 N ALA A 43 17.669 -9.528 10.363 1.00 0.23 N ATOM 637 CA ALA A 43 17.987 -9.939 11.750 1.00 0.22 C ATOM 638 C ALA A 43 19.394 -9.462 12.109 1.00 0.27 C ATOM 639 O ALA A 43 20.371 -9.896 11.532 1.00 0.29 O ATOM 640 CB ALA A 43 17.936 -11.461 11.816 1.00 0.20 C ATOM 0 H ALA A 43 17.262 -10.259 9.779 1.00 0.23 H new ATOM 0 HA ALA A 43 17.273 -9.505 12.449 1.00 0.22 H new ATOM 0 HB1 ALA A 43 18.167 -11.789 12.829 1.00 0.20 H new ATOM 0 HB2 ALA A 43 16.938 -11.804 11.542 1.00 0.20 H new ATOM 0 HB3 ALA A 43 18.666 -11.880 11.124 1.00 0.20 H new ATOM 646 N ASN A 44 19.510 -8.567 13.050 1.00 0.31 N ATOM 647 CA ASN A 44 20.861 -8.065 13.431 1.00 0.37 C ATOM 648 C ASN A 44 21.509 -9.025 14.430 1.00 0.39 C ATOM 649 O ASN A 44 22.554 -8.745 14.983 1.00 0.43 O ATOM 650 CB ASN A 44 20.730 -6.684 14.073 1.00 0.37 C ATOM 651 CG ASN A 44 19.750 -6.764 15.242 1.00 0.51 C ATOM 652 OD1 ASN A 44 19.347 -7.840 15.638 1.00 1.92 O ATOM 653 ND2 ASN A 44 19.346 -5.666 15.814 1.00 0.78 N ATOM 0 H ASN A 44 18.732 -8.162 13.570 1.00 0.31 H new ATOM 0 HA ASN A 44 21.482 -7.998 12.538 1.00 0.37 H new ATOM 0 HB2 ASN A 44 21.703 -6.338 14.422 1.00 0.37 H new ATOM 0 HB3 ASN A 44 20.379 -5.960 13.338 1.00 0.37 H new ATOM 0 HD21 ASN A 44 18.691 -5.709 16.595 1.00 0.78 H new ATOM 0 HD22 ASN A 44 19.685 -4.763 15.481 1.00 0.78 H new ATOM 660 N GLN A 45 20.904 -10.156 14.667 1.00 0.37 N ATOM 661 CA GLN A 45 21.496 -11.126 15.628 1.00 0.41 C ATOM 662 C GLN A 45 20.772 -12.468 15.517 1.00 0.36 C ATOM 663 O GLN A 45 19.677 -12.553 14.997 1.00 0.31 O ATOM 664 CB GLN A 45 21.358 -10.593 17.047 1.00 0.43 C ATOM 665 CG GLN A 45 19.915 -10.162 17.281 1.00 0.46 C ATOM 666 CD GLN A 45 19.892 -8.909 18.159 1.00 0.52 C ATOM 667 OE1 GLN A 45 20.693 -8.014 17.981 1.00 0.48 O ATOM 668 NE2 GLN A 45 19.003 -8.810 19.109 1.00 0.85 N ATOM 0 H GLN A 45 20.027 -10.449 14.237 1.00 0.37 H new ATOM 0 HA GLN A 45 22.552 -11.262 15.393 1.00 0.41 H new ATOM 0 HB2 GLN A 45 21.642 -11.361 17.766 1.00 0.43 H new ATOM 0 HB3 GLN A 45 22.031 -9.749 17.199 1.00 0.43 H new ATOM 0 HG2 GLN A 45 19.426 -9.960 16.328 1.00 0.46 H new ATOM 0 HG3 GLN A 45 19.358 -10.966 17.762 1.00 0.46 H new ATOM 0 HE21 GLN A 45 18.330 -9.562 19.258 1.00 0.85 H new ATOM 0 HE22 GLN A 45 18.981 -7.981 19.702 1.00 0.85 H new ATOM 677 N ASN A 46 21.371 -13.518 16.007 1.00 0.37 N ATOM 678 CA ASN A 46 20.713 -14.852 15.934 1.00 0.32 C ATOM 679 C ASN A 46 19.846 -15.055 17.177 1.00 0.33 C ATOM 680 O ASN A 46 20.330 -15.021 18.292 1.00 0.42 O ATOM 681 CB ASN A 46 21.783 -15.944 15.873 1.00 0.41 C ATOM 682 CG ASN A 46 22.440 -16.087 17.248 1.00 0.61 C ATOM 683 OD1 ASN A 46 22.938 -15.125 17.798 1.00 1.51 O ATOM 684 ND2 ASN A 46 22.465 -17.255 17.828 1.00 2.75 N ATOM 0 H ASN A 46 22.287 -13.510 16.455 1.00 0.37 H new ATOM 0 HA ASN A 46 20.090 -14.906 15.041 1.00 0.32 H new ATOM 0 HB2 ASN A 46 21.336 -16.891 15.571 1.00 0.41 H new ATOM 0 HB3 ASN A 46 22.533 -15.692 15.123 1.00 0.41 H new ATOM 0 HD21 ASN A 46 22.903 -17.361 18.743 1.00 2.75 H new ATOM 0 HD22 ASN A 46 22.047 -18.063 17.366 1.00 2.75 H new ATOM 691 N THR A 47 18.567 -15.258 17.000 1.00 0.26 N ATOM 692 CA THR A 47 17.678 -15.451 18.178 1.00 0.34 C ATOM 693 C THR A 47 16.620 -16.520 17.873 1.00 0.36 C ATOM 694 O THR A 47 16.102 -16.601 16.776 1.00 0.48 O ATOM 695 CB THR A 47 16.992 -14.122 18.517 1.00 0.31 C ATOM 696 OG1 THR A 47 15.878 -14.372 19.355 1.00 0.57 O ATOM 697 CG2 THR A 47 16.518 -13.434 17.235 1.00 0.12 C ATOM 0 H THR A 47 18.103 -15.298 16.093 1.00 0.26 H new ATOM 0 HA THR A 47 18.274 -15.782 19.028 1.00 0.34 H new ATOM 0 HB THR A 47 17.702 -13.472 19.028 1.00 0.31 H new ATOM 0 HG1 THR A 47 15.105 -13.863 19.033 1.00 0.57 H new ATOM 0 HG21 THR A 47 16.032 -12.491 17.486 1.00 0.12 H new ATOM 0 HG22 THR A 47 17.374 -13.240 16.588 1.00 0.12 H new ATOM 0 HG23 THR A 47 15.810 -14.080 16.716 1.00 0.12 H new ATOM 705 N LYS A 48 16.301 -17.339 18.843 1.00 0.37 N ATOM 706 CA LYS A 48 15.282 -18.410 18.633 1.00 0.39 C ATOM 707 C LYS A 48 13.889 -17.839 18.840 1.00 0.41 C ATOM 708 O LYS A 48 12.895 -18.465 18.527 1.00 0.41 O ATOM 709 CB LYS A 48 15.514 -19.531 19.642 1.00 0.46 C ATOM 710 CG LYS A 48 16.716 -20.356 19.199 1.00 0.38 C ATOM 711 CD LYS A 48 16.249 -21.450 18.239 1.00 0.36 C ATOM 712 CE LYS A 48 15.175 -22.298 18.924 1.00 0.39 C ATOM 713 NZ LYS A 48 15.237 -23.695 18.406 1.00 0.75 N ATOM 0 H LYS A 48 16.707 -17.311 19.778 1.00 0.37 H new ATOM 0 HA LYS A 48 15.371 -18.798 17.618 1.00 0.39 H new ATOM 0 HB2 LYS A 48 15.688 -19.114 20.634 1.00 0.46 H new ATOM 0 HB3 LYS A 48 14.629 -20.163 19.713 1.00 0.46 H new ATOM 0 HG2 LYS A 48 17.451 -19.716 18.710 1.00 0.38 H new ATOM 0 HG3 LYS A 48 17.206 -20.801 20.065 1.00 0.38 H new ATOM 0 HD2 LYS A 48 15.851 -21.004 17.328 1.00 0.36 H new ATOM 0 HD3 LYS A 48 17.091 -22.077 17.946 1.00 0.36 H new ATOM 0 HE2 LYS A 48 15.326 -22.292 20.003 1.00 0.39 H new ATOM 0 HE3 LYS A 48 14.188 -21.874 18.738 1.00 0.39 H new ATOM 0 HZ1 LYS A 48 14.507 -24.271 18.872 1.00 0.75 H new ATOM 0 HZ2 LYS A 48 15.073 -23.692 17.379 1.00 0.75 H new ATOM 0 HZ3 LYS A 48 16.175 -24.098 18.605 1.00 0.75 H new ATOM 727 N THR A 49 13.804 -16.659 19.366 1.00 0.42 N ATOM 728 CA THR A 49 12.473 -16.057 19.591 1.00 0.45 C ATOM 729 C THR A 49 12.543 -14.558 19.361 1.00 0.39 C ATOM 730 O THR A 49 13.471 -13.888 19.766 1.00 0.38 O ATOM 731 CB THR A 49 12.019 -16.337 21.015 1.00 0.52 C ATOM 732 OG1 THR A 49 13.100 -16.118 21.912 1.00 0.51 O ATOM 733 CG2 THR A 49 11.556 -17.786 21.101 1.00 0.55 C ATOM 0 H THR A 49 14.598 -16.085 19.650 1.00 0.42 H new ATOM 0 HA THR A 49 11.758 -16.494 18.893 1.00 0.45 H new ATOM 0 HB THR A 49 11.199 -15.672 21.285 1.00 0.52 H new ATOM 0 HG1 THR A 49 12.805 -16.297 22.829 1.00 0.51 H new ATOM 0 HG21 THR A 49 11.227 -18.003 22.117 1.00 0.55 H new ATOM 0 HG22 THR A 49 10.728 -17.945 20.410 1.00 0.55 H new ATOM 0 HG23 THR A 49 12.381 -18.448 20.838 1.00 0.55 H new ATOM 741 N ALA A 50 11.556 -14.035 18.715 1.00 0.37 N ATOM 742 CA ALA A 50 11.527 -12.583 18.439 1.00 0.33 C ATOM 743 C ALA A 50 10.206 -12.017 18.942 1.00 0.28 C ATOM 744 O ALA A 50 9.222 -12.721 19.028 1.00 0.27 O ATOM 745 CB ALA A 50 11.649 -12.352 16.937 1.00 0.32 C ATOM 0 H ALA A 50 10.755 -14.557 18.360 1.00 0.37 H new ATOM 0 HA ALA A 50 12.356 -12.088 18.944 1.00 0.33 H new ATOM 0 HB1 ALA A 50 11.628 -11.282 16.731 1.00 0.32 H new ATOM 0 HB2 ALA A 50 12.589 -12.772 16.579 1.00 0.32 H new ATOM 0 HB3 ALA A 50 10.817 -12.837 16.426 1.00 0.32 H new ATOM 751 N LYS A 51 10.165 -10.764 19.290 1.00 0.25 N ATOM 752 CA LYS A 51 8.889 -10.196 19.805 1.00 0.21 C ATOM 753 C LYS A 51 8.566 -8.873 19.115 1.00 0.22 C ATOM 754 O LYS A 51 9.411 -8.020 18.963 1.00 0.20 O ATOM 755 CB LYS A 51 9.026 -9.931 21.302 1.00 0.17 C ATOM 756 CG LYS A 51 8.544 -11.144 22.094 1.00 0.15 C ATOM 757 CD LYS A 51 7.779 -10.671 23.332 1.00 0.14 C ATOM 758 CE LYS A 51 8.406 -9.376 23.869 1.00 0.15 C ATOM 759 NZ LYS A 51 8.405 -9.406 25.359 1.00 0.40 N ATOM 0 H LYS A 51 10.949 -10.114 19.242 1.00 0.25 H new ATOM 0 HA LYS A 51 8.091 -10.911 19.607 1.00 0.21 H new ATOM 0 HB2 LYS A 51 10.066 -9.716 21.548 1.00 0.17 H new ATOM 0 HB3 LYS A 51 8.445 -9.051 21.579 1.00 0.17 H new ATOM 0 HG2 LYS A 51 7.901 -11.767 21.472 1.00 0.15 H new ATOM 0 HG3 LYS A 51 9.393 -11.759 22.391 1.00 0.15 H new ATOM 0 HD2 LYS A 51 6.732 -10.502 23.081 1.00 0.14 H new ATOM 0 HD3 LYS A 51 7.802 -11.443 24.101 1.00 0.14 H new ATOM 0 HE2 LYS A 51 9.425 -9.271 23.497 1.00 0.15 H new ATOM 0 HE3 LYS A 51 7.846 -8.512 23.511 1.00 0.15 H new ATOM 0 HZ1 LYS A 51 8.829 -8.530 25.724 1.00 0.40 H new ATOM 0 HZ2 LYS A 51 7.427 -9.487 25.704 1.00 0.40 H new ATOM 0 HZ3 LYS A 51 8.958 -10.222 25.690 1.00 0.40 H new ATOM 773 N ILE A 52 7.340 -8.666 18.739 1.00 0.23 N ATOM 774 CA ILE A 52 6.995 -7.369 18.111 1.00 0.22 C ATOM 775 C ILE A 52 6.493 -6.443 19.215 1.00 0.24 C ATOM 776 O ILE A 52 5.927 -6.885 20.194 1.00 0.26 O ATOM 777 CB ILE A 52 5.908 -7.549 17.049 1.00 0.21 C ATOM 778 CG1 ILE A 52 5.579 -6.180 16.448 1.00 0.27 C ATOM 779 CG2 ILE A 52 4.655 -8.149 17.692 1.00 0.25 C ATOM 780 CD1 ILE A 52 4.386 -6.302 15.501 1.00 0.69 C ATOM 0 H ILE A 52 6.571 -9.329 18.838 1.00 0.23 H new ATOM 0 HA ILE A 52 7.872 -6.949 17.618 1.00 0.22 H new ATOM 0 HB ILE A 52 6.259 -8.222 16.266 1.00 0.21 H new ATOM 0 HG12 ILE A 52 5.353 -5.469 17.243 1.00 0.27 H new ATOM 0 HG13 ILE A 52 6.444 -5.792 15.910 1.00 0.27 H new ATOM 0 HG21 ILE A 52 3.882 -8.276 16.934 1.00 0.25 H new ATOM 0 HG22 ILE A 52 4.898 -9.118 18.128 1.00 0.25 H new ATOM 0 HG23 ILE A 52 4.291 -7.481 18.472 1.00 0.25 H new ATOM 0 HD11 ILE A 52 4.157 -5.324 15.077 1.00 0.69 H new ATOM 0 HD12 ILE A 52 4.628 -6.998 14.698 1.00 0.69 H new ATOM 0 HD13 ILE A 52 3.520 -6.670 16.052 1.00 0.69 H new ATOM 792 N GLU A 53 6.709 -5.170 19.082 1.00 0.23 N ATOM 793 CA GLU A 53 6.258 -4.232 20.140 1.00 0.26 C ATOM 794 C GLU A 53 5.674 -2.986 19.487 1.00 0.22 C ATOM 795 O GLU A 53 6.358 -2.254 18.802 1.00 0.22 O ATOM 796 CB GLU A 53 7.454 -3.836 21.010 1.00 0.29 C ATOM 797 CG GLU A 53 7.151 -4.152 22.475 1.00 0.33 C ATOM 798 CD GLU A 53 8.128 -3.396 23.376 1.00 0.51 C ATOM 799 OE1 GLU A 53 8.144 -2.177 23.310 1.00 0.58 O ATOM 800 OE2 GLU A 53 8.842 -4.048 24.121 1.00 0.77 O ATOM 0 H GLU A 53 7.178 -4.737 18.287 1.00 0.23 H new ATOM 0 HA GLU A 53 5.500 -4.712 20.759 1.00 0.26 H new ATOM 0 HB2 GLU A 53 8.345 -4.375 20.688 1.00 0.29 H new ATOM 0 HB3 GLU A 53 7.665 -2.773 20.893 1.00 0.29 H new ATOM 0 HG2 GLU A 53 6.126 -3.868 22.714 1.00 0.33 H new ATOM 0 HG3 GLU A 53 7.234 -5.225 22.651 1.00 0.33 H new ATOM 807 N ILE A 54 4.419 -2.734 19.691 1.00 0.19 N ATOM 808 CA ILE A 54 3.812 -1.530 19.074 1.00 0.16 C ATOM 809 C ILE A 54 3.357 -0.576 20.174 1.00 0.19 C ATOM 810 O ILE A 54 2.490 -0.890 20.965 1.00 0.25 O ATOM 811 CB ILE A 54 2.604 -1.935 18.239 1.00 0.17 C ATOM 812 CG1 ILE A 54 2.947 -3.166 17.402 1.00 0.16 C ATOM 813 CG2 ILE A 54 2.224 -0.778 17.324 1.00 0.17 C ATOM 814 CD1 ILE A 54 2.747 -4.412 18.258 1.00 0.30 C ATOM 0 H ILE A 54 3.789 -3.305 20.255 1.00 0.19 H new ATOM 0 HA ILE A 54 4.549 -1.041 18.437 1.00 0.16 H new ATOM 0 HB ILE A 54 1.766 -2.175 18.894 1.00 0.17 H new ATOM 0 HG12 ILE A 54 2.312 -3.210 16.517 1.00 0.16 H new ATOM 0 HG13 ILE A 54 3.978 -3.110 17.052 1.00 0.16 H new ATOM 0 HG21 ILE A 54 1.360 -1.059 16.722 1.00 0.17 H new ATOM 0 HG22 ILE A 54 1.978 0.097 17.926 1.00 0.17 H new ATOM 0 HG23 ILE A 54 3.062 -0.543 16.668 1.00 0.17 H new ATOM 0 HD11 ILE A 54 2.989 -5.299 17.672 1.00 0.30 H new ATOM 0 HD12 ILE A 54 3.400 -4.364 19.129 1.00 0.30 H new ATOM 0 HD13 ILE A 54 1.709 -4.466 18.586 1.00 0.30 H new ATOM 826 N LYS A 55 3.928 0.588 20.230 1.00 0.17 N ATOM 827 CA LYS A 55 3.520 1.560 21.274 1.00 0.20 C ATOM 828 C LYS A 55 2.877 2.770 20.602 1.00 0.26 C ATOM 829 O LYS A 55 3.069 3.013 19.431 1.00 0.78 O ATOM 830 CB LYS A 55 4.747 1.989 22.073 1.00 0.17 C ATOM 831 CG LYS A 55 5.276 0.779 22.841 1.00 0.26 C ATOM 832 CD LYS A 55 6.308 1.237 23.875 1.00 0.25 C ATOM 833 CE LYS A 55 7.718 0.923 23.366 1.00 0.87 C ATOM 834 NZ LYS A 55 8.676 0.933 24.509 1.00 0.59 N ATOM 0 H LYS A 55 4.661 0.910 19.598 1.00 0.17 H new ATOM 0 HA LYS A 55 2.800 1.102 21.953 1.00 0.20 H new ATOM 0 HB2 LYS A 55 5.516 2.379 21.406 1.00 0.17 H new ATOM 0 HB3 LYS A 55 4.487 2.791 22.764 1.00 0.17 H new ATOM 0 HG2 LYS A 55 4.454 0.263 23.337 1.00 0.26 H new ATOM 0 HG3 LYS A 55 5.729 0.067 22.151 1.00 0.26 H new ATOM 0 HD2 LYS A 55 6.206 2.307 24.057 1.00 0.25 H new ATOM 0 HD3 LYS A 55 6.133 0.734 24.826 1.00 0.25 H new ATOM 0 HE2 LYS A 55 7.730 -0.051 22.876 1.00 0.87 H new ATOM 0 HE3 LYS A 55 8.019 1.659 22.620 1.00 0.87 H new ATOM 0 HZ1 LYS A 55 9.633 0.720 24.162 1.00 0.59 H new ATOM 0 HZ2 LYS A 55 8.672 1.871 24.957 1.00 0.59 H new ATOM 0 HZ3 LYS A 55 8.392 0.215 25.206 1.00 0.59 H new ATOM 848 N ALA A 56 2.103 3.526 21.322 1.00 0.28 N ATOM 849 CA ALA A 56 1.450 4.707 20.687 1.00 0.26 C ATOM 850 C ALA A 56 1.576 5.936 21.587 1.00 0.27 C ATOM 851 O ALA A 56 1.135 5.942 22.719 1.00 0.29 O ATOM 852 CB ALA A 56 -0.027 4.402 20.445 1.00 0.25 C ATOM 0 H ALA A 56 1.894 3.384 22.310 1.00 0.28 H new ATOM 0 HA ALA A 56 1.945 4.915 19.738 1.00 0.26 H new ATOM 0 HB1 ALA A 56 -0.505 5.265 19.981 1.00 0.25 H new ATOM 0 HB2 ALA A 56 -0.117 3.539 19.786 1.00 0.25 H new ATOM 0 HB3 ALA A 56 -0.514 4.185 21.396 1.00 0.25 H new ATOM 858 N SER A 57 2.159 6.987 21.078 1.00 0.42 N ATOM 859 CA SER A 57 2.308 8.230 21.880 1.00 0.43 C ATOM 860 C SER A 57 1.119 9.147 21.592 1.00 0.55 C ATOM 861 O SER A 57 0.544 9.113 20.523 1.00 0.64 O ATOM 862 CB SER A 57 3.613 8.936 21.500 1.00 0.50 C ATOM 863 OG SER A 57 4.504 8.904 22.610 1.00 2.70 O ATOM 0 H SER A 57 2.541 7.036 20.133 1.00 0.42 H new ATOM 0 HA SER A 57 2.336 7.986 22.942 1.00 0.43 H new ATOM 0 HB2 SER A 57 4.068 8.446 20.639 1.00 0.50 H new ATOM 0 HB3 SER A 57 3.411 9.967 21.210 1.00 0.50 H new ATOM 0 HG SER A 57 5.341 9.353 22.370 1.00 2.70 H new ATOM 869 N LEU A 58 0.737 9.955 22.537 1.00 0.56 N ATOM 870 CA LEU A 58 -0.422 10.862 22.321 1.00 0.70 C ATOM 871 C LEU A 58 0.082 12.279 22.059 1.00 0.85 C ATOM 872 O LEU A 58 -0.492 13.248 22.514 1.00 1.05 O ATOM 873 CB LEU A 58 -1.296 10.854 23.572 1.00 0.78 C ATOM 874 CG LEU A 58 -1.478 9.413 24.052 1.00 0.79 C ATOM 875 CD1 LEU A 58 -2.298 9.402 25.343 1.00 1.03 C ATOM 876 CD2 LEU A 58 -2.212 8.607 22.979 1.00 0.54 C ATOM 0 H LEU A 58 1.179 10.027 23.454 1.00 0.56 H new ATOM 0 HA LEU A 58 -1.002 10.523 21.463 1.00 0.70 H new ATOM 0 HB2 LEU A 58 -0.835 11.455 24.356 1.00 0.78 H new ATOM 0 HB3 LEU A 58 -2.266 11.303 23.355 1.00 0.78 H new ATOM 0 HG LEU A 58 -0.500 8.968 24.239 1.00 0.79 H new ATOM 0 HD11 LEU A 58 -2.427 8.375 25.684 1.00 1.03 H new ATOM 0 HD12 LEU A 58 -1.777 9.976 26.110 1.00 1.03 H new ATOM 0 HD13 LEU A 58 -3.275 9.848 25.157 1.00 1.03 H new ATOM 0 HD21 LEU A 58 -2.342 7.580 23.321 1.00 0.54 H new ATOM 0 HD22 LEU A 58 -3.189 9.054 22.793 1.00 0.54 H new ATOM 0 HD23 LEU A 58 -1.629 8.612 22.058 1.00 0.54 H new ATOM 888 N ASP A 59 1.153 12.403 21.330 1.00 0.87 N ATOM 889 CA ASP A 59 1.703 13.754 21.041 1.00 1.05 C ATOM 890 C ASP A 59 2.352 14.318 22.307 1.00 1.49 C ATOM 891 O ASP A 59 2.781 15.453 22.341 1.00 2.06 O ATOM 892 CB ASP A 59 0.570 14.682 20.599 1.00 0.89 C ATOM 893 CG ASP A 59 1.131 15.778 19.688 1.00 0.93 C ATOM 894 OD1 ASP A 59 2.069 16.440 20.100 1.00 0.73 O ATOM 895 OD2 ASP A 59 0.613 15.935 18.595 1.00 1.47 O ATOM 0 H ASP A 59 1.672 11.626 20.921 1.00 0.87 H new ATOM 0 HA ASP A 59 2.447 13.682 20.247 1.00 1.05 H new ATOM 0 HB2 ASP A 59 -0.195 14.113 20.071 1.00 0.89 H new ATOM 0 HB3 ASP A 59 0.091 15.129 21.470 1.00 0.89 H new ATOM 900 N GLY A 60 2.425 13.536 23.351 1.00 1.24 N ATOM 901 CA GLY A 60 3.045 14.038 24.609 1.00 1.65 C ATOM 902 C GLY A 60 3.169 12.897 25.620 1.00 1.60 C ATOM 903 O GLY A 60 4.118 12.831 26.379 1.00 1.56 O ATOM 0 H GLY A 60 2.083 12.576 23.386 1.00 1.24 H new ATOM 0 HA2 GLY A 60 4.029 14.457 24.398 1.00 1.65 H new ATOM 0 HA3 GLY A 60 2.440 14.842 25.027 1.00 1.65 H new ATOM 907 N LEU A 61 2.222 12.000 25.649 1.00 1.61 N ATOM 908 CA LEU A 61 2.302 10.874 26.626 1.00 1.58 C ATOM 909 C LEU A 61 2.477 9.552 25.875 1.00 1.35 C ATOM 910 O LEU A 61 1.599 9.107 25.171 1.00 1.18 O ATOM 911 CB LEU A 61 1.018 10.830 27.454 1.00 1.61 C ATOM 912 CG LEU A 61 1.099 11.882 28.560 1.00 3.33 C ATOM 913 CD1 LEU A 61 0.785 13.261 27.981 1.00 4.80 C ATOM 914 CD2 LEU A 61 0.085 11.550 29.654 1.00 3.49 C ATOM 0 H LEU A 61 1.401 11.996 25.044 1.00 1.61 H new ATOM 0 HA LEU A 61 3.155 11.026 27.287 1.00 1.58 H new ATOM 0 HB2 LEU A 61 0.154 11.019 26.818 1.00 1.61 H new ATOM 0 HB3 LEU A 61 0.884 9.839 27.887 1.00 1.61 H new ATOM 0 HG LEU A 61 2.104 11.885 28.981 1.00 3.33 H new ATOM 0 HD11 LEU A 61 0.843 14.009 28.771 1.00 4.80 H new ATOM 0 HD12 LEU A 61 1.507 13.501 27.200 1.00 4.80 H new ATOM 0 HD13 LEU A 61 -0.219 13.258 27.558 1.00 4.80 H new ATOM 0 HD21 LEU A 61 0.142 12.300 30.443 1.00 3.49 H new ATOM 0 HD22 LEU A 61 -0.919 11.545 29.230 1.00 3.49 H new ATOM 0 HD23 LEU A 61 0.308 10.568 30.070 1.00 3.49 H new ATOM 926 N GLU A 62 3.607 8.916 26.022 1.00 1.37 N ATOM 927 CA GLU A 62 3.830 7.627 25.305 1.00 1.18 C ATOM 928 C GLU A 62 3.093 6.495 26.025 1.00 1.02 C ATOM 929 O GLU A 62 3.098 6.402 27.237 1.00 1.00 O ATOM 930 CB GLU A 62 5.329 7.328 25.250 1.00 1.27 C ATOM 931 CG GLU A 62 5.568 5.906 24.732 1.00 1.11 C ATOM 932 CD GLU A 62 6.925 5.405 25.230 1.00 1.15 C ATOM 933 OE1 GLU A 62 7.319 5.803 26.314 1.00 0.88 O ATOM 934 OE2 GLU A 62 7.548 4.632 24.520 1.00 1.71 O ATOM 0 H GLU A 62 4.383 9.231 26.605 1.00 1.37 H new ATOM 0 HA GLU A 62 3.443 7.706 24.289 1.00 1.18 H new ATOM 0 HB2 GLU A 62 5.827 8.048 24.600 1.00 1.27 H new ATOM 0 HB3 GLU A 62 5.766 7.439 26.242 1.00 1.27 H new ATOM 0 HG2 GLU A 62 4.774 5.243 25.077 1.00 1.11 H new ATOM 0 HG3 GLU A 62 5.541 5.895 23.642 1.00 1.11 H new ATOM 941 N ILE A 63 2.451 5.641 25.277 1.00 0.90 N ATOM 942 CA ILE A 63 1.703 4.522 25.876 1.00 0.76 C ATOM 943 C ILE A 63 2.228 3.207 25.303 1.00 0.65 C ATOM 944 O ILE A 63 2.955 3.180 24.331 1.00 0.72 O ATOM 945 CB ILE A 63 0.242 4.660 25.471 1.00 0.85 C ATOM 946 CG1 ILE A 63 -0.370 5.918 26.085 1.00 1.20 C ATOM 947 CG2 ILE A 63 -0.534 3.443 25.922 1.00 0.60 C ATOM 948 CD1 ILE A 63 -1.818 6.055 25.605 1.00 1.17 C ATOM 0 H ILE A 63 2.418 5.680 24.258 1.00 0.90 H new ATOM 0 HA ILE A 63 1.815 4.533 26.960 1.00 0.76 H new ATOM 0 HB ILE A 63 0.190 4.741 24.385 1.00 0.85 H new ATOM 0 HG12 ILE A 63 -0.338 5.859 27.173 1.00 1.20 H new ATOM 0 HG13 ILE A 63 0.207 6.797 25.796 1.00 1.20 H new ATOM 0 HG21 ILE A 63 -1.579 3.548 25.629 1.00 0.60 H new ATOM 0 HG22 ILE A 63 -0.115 2.551 25.456 1.00 0.60 H new ATOM 0 HG23 ILE A 63 -0.469 3.351 27.006 1.00 0.60 H new ATOM 0 HD11 ILE A 63 -2.262 6.951 26.039 1.00 1.17 H new ATOM 0 HD12 ILE A 63 -1.835 6.132 24.518 1.00 1.17 H new ATOM 0 HD13 ILE A 63 -2.389 5.180 25.916 1.00 1.17 H new ATOM 960 N ASP A 64 1.821 2.121 25.879 1.00 0.51 N ATOM 961 CA ASP A 64 2.233 0.787 25.366 1.00 0.42 C ATOM 962 C ASP A 64 0.975 0.095 24.846 1.00 0.36 C ATOM 963 O ASP A 64 -0.037 0.054 25.517 1.00 0.43 O ATOM 964 CB ASP A 64 2.860 -0.036 26.496 1.00 0.34 C ATOM 965 CG ASP A 64 3.940 0.793 27.192 1.00 0.27 C ATOM 966 OD1 ASP A 64 4.108 1.943 26.821 1.00 1.99 O ATOM 967 OD2 ASP A 64 4.582 0.264 28.084 1.00 2.18 O ATOM 0 H ASP A 64 1.211 2.096 26.696 1.00 0.51 H new ATOM 0 HA ASP A 64 2.973 0.887 24.572 1.00 0.42 H new ATOM 0 HB2 ASP A 64 2.094 -0.331 27.213 1.00 0.34 H new ATOM 0 HB3 ASP A 64 3.292 -0.953 26.096 1.00 0.34 H new ATOM 972 N VAL A 65 1.004 -0.418 23.649 1.00 0.25 N ATOM 973 CA VAL A 65 -0.224 -1.059 23.106 1.00 0.20 C ATOM 974 C VAL A 65 -0.126 -2.591 23.156 1.00 0.15 C ATOM 975 O VAL A 65 0.657 -3.187 22.444 1.00 0.14 O ATOM 976 CB VAL A 65 -0.415 -0.612 21.666 1.00 0.15 C ATOM 977 CG1 VAL A 65 -1.870 -0.848 21.254 1.00 0.33 C ATOM 978 CG2 VAL A 65 -0.091 0.882 21.560 1.00 0.25 C ATOM 0 H VAL A 65 1.814 -0.422 23.030 1.00 0.25 H new ATOM 0 HA VAL A 65 -1.074 -0.756 23.718 1.00 0.20 H new ATOM 0 HB VAL A 65 0.246 -1.179 21.010 1.00 0.15 H new ATOM 0 HG11 VAL A 65 -2.012 -0.529 20.222 1.00 0.33 H new ATOM 0 HG12 VAL A 65 -2.106 -1.909 21.342 1.00 0.33 H new ATOM 0 HG13 VAL A 65 -2.530 -0.275 21.905 1.00 0.33 H new ATOM 0 HG21 VAL A 65 -0.225 1.211 20.530 1.00 0.25 H new ATOM 0 HG22 VAL A 65 -0.759 1.446 22.211 1.00 0.25 H new ATOM 0 HG23 VAL A 65 0.942 1.053 21.864 1.00 0.25 H new ATOM 988 N PRO A 66 -0.950 -3.179 23.988 1.00 0.19 N ATOM 989 CA PRO A 66 -1.021 -4.640 24.157 1.00 0.28 C ATOM 990 C PRO A 66 -1.906 -5.241 23.057 1.00 0.41 C ATOM 991 O PRO A 66 -2.063 -4.669 21.997 1.00 0.43 O ATOM 992 CB PRO A 66 -1.674 -4.803 25.536 1.00 0.35 C ATOM 993 CG PRO A 66 -2.445 -3.488 25.814 1.00 0.29 C ATOM 994 CD PRO A 66 -1.885 -2.433 24.846 1.00 0.21 C ATOM 0 HA PRO A 66 -0.055 -5.140 24.089 1.00 0.28 H new ATOM 0 HB2 PRO A 66 -2.349 -5.659 25.547 1.00 0.35 H new ATOM 0 HB3 PRO A 66 -0.921 -4.981 26.304 1.00 0.35 H new ATOM 0 HG2 PRO A 66 -3.515 -3.627 25.658 1.00 0.29 H new ATOM 0 HG3 PRO A 66 -2.312 -3.173 26.849 1.00 0.29 H new ATOM 0 HD2 PRO A 66 -2.679 -1.971 24.260 1.00 0.21 H new ATOM 0 HD3 PRO A 66 -1.378 -1.631 25.383 1.00 0.21 H new ATOM 1002 N GLY A 67 -2.492 -6.381 23.299 1.00 0.54 N ATOM 1003 CA GLY A 67 -3.372 -6.997 22.266 1.00 0.68 C ATOM 1004 C GLY A 67 -2.565 -7.265 20.998 1.00 0.63 C ATOM 1005 O GLY A 67 -3.082 -7.213 19.900 1.00 0.93 O ATOM 0 H GLY A 67 -2.400 -6.912 24.165 1.00 0.54 H new ATOM 0 HA2 GLY A 67 -3.795 -7.928 22.643 1.00 0.68 H new ATOM 0 HA3 GLY A 67 -4.208 -6.334 22.044 1.00 0.68 H new ATOM 1009 N ILE A 68 -1.304 -7.556 21.139 1.00 0.40 N ATOM 1010 CA ILE A 68 -0.469 -7.831 19.940 1.00 0.34 C ATOM 1011 C ILE A 68 0.211 -9.190 20.109 1.00 0.26 C ATOM 1012 O ILE A 68 -0.156 -9.979 20.957 1.00 0.30 O ATOM 1013 CB ILE A 68 0.601 -6.752 19.801 1.00 0.31 C ATOM 1014 CG1 ILE A 68 1.594 -6.916 20.953 1.00 0.35 C ATOM 1015 CG2 ILE A 68 -0.051 -5.367 19.850 1.00 0.23 C ATOM 1016 CD1 ILE A 68 2.659 -5.823 20.897 1.00 0.20 C ATOM 0 H ILE A 68 -0.816 -7.615 22.032 1.00 0.40 H new ATOM 0 HA ILE A 68 -1.099 -7.835 19.050 1.00 0.34 H new ATOM 0 HB ILE A 68 1.121 -6.850 18.848 1.00 0.31 H new ATOM 0 HG12 ILE A 68 1.066 -6.870 21.906 1.00 0.35 H new ATOM 0 HG13 ILE A 68 2.067 -7.897 20.897 1.00 0.35 H new ATOM 0 HG21 ILE A 68 0.717 -4.600 19.750 1.00 0.23 H new ATOM 0 HG22 ILE A 68 -0.767 -5.273 19.033 1.00 0.23 H new ATOM 0 HG23 ILE A 68 -0.568 -5.242 20.801 1.00 0.23 H new ATOM 0 HD11 ILE A 68 3.358 -5.953 21.723 1.00 0.20 H new ATOM 0 HD12 ILE A 68 3.198 -5.888 19.952 1.00 0.20 H new ATOM 0 HD13 ILE A 68 2.182 -4.846 20.976 1.00 0.20 H new ATOM 1028 N ASP A 69 1.201 -9.471 19.307 1.00 0.18 N ATOM 1029 CA ASP A 69 1.901 -10.779 19.423 1.00 0.11 C ATOM 1030 C ASP A 69 3.239 -10.580 20.133 1.00 0.08 C ATOM 1031 O ASP A 69 4.149 -9.972 19.604 1.00 0.08 O ATOM 1032 CB ASP A 69 2.149 -11.360 18.027 1.00 0.18 C ATOM 1033 CG ASP A 69 2.535 -12.835 18.147 1.00 0.47 C ATOM 1034 OD1 ASP A 69 2.989 -13.226 19.210 1.00 0.33 O ATOM 1035 OD2 ASP A 69 2.368 -13.552 17.173 1.00 1.47 O ATOM 0 H ASP A 69 1.554 -8.852 18.578 1.00 0.18 H new ATOM 0 HA ASP A 69 1.281 -11.468 19.996 1.00 0.11 H new ATOM 0 HB2 ASP A 69 1.253 -11.257 17.415 1.00 0.18 H new ATOM 0 HB3 ASP A 69 2.943 -10.805 17.527 1.00 0.18 H new ATOM 1040 N THR A 70 3.374 -11.102 21.320 1.00 0.07 N ATOM 1041 CA THR A 70 4.662 -10.958 22.055 1.00 0.06 C ATOM 1042 C THR A 70 5.588 -12.106 21.642 1.00 0.06 C ATOM 1043 O THR A 70 6.215 -12.748 22.461 1.00 0.05 O ATOM 1044 CB THR A 70 4.395 -11.007 23.560 1.00 0.09 C ATOM 1045 OG1 THR A 70 3.485 -12.061 23.843 1.00 0.16 O ATOM 1046 CG2 THR A 70 3.791 -9.675 24.011 1.00 0.35 C ATOM 0 H THR A 70 2.648 -11.622 21.813 1.00 0.07 H new ATOM 0 HA THR A 70 5.133 -10.005 21.815 1.00 0.06 H new ATOM 0 HB THR A 70 5.330 -11.181 24.093 1.00 0.09 H new ATOM 0 HG1 THR A 70 3.314 -12.095 24.807 1.00 0.16 H new ATOM 0 HG21 THR A 70 3.600 -9.707 25.084 1.00 0.35 H new ATOM 0 HG22 THR A 70 4.488 -8.866 23.791 1.00 0.35 H new ATOM 0 HG23 THR A 70 2.855 -9.502 23.480 1.00 0.35 H new ATOM 1054 N ASN A 71 5.659 -12.363 20.365 1.00 0.10 N ATOM 1055 CA ASN A 71 6.517 -13.460 19.841 1.00 0.12 C ATOM 1056 C ASN A 71 6.363 -13.475 18.319 1.00 0.12 C ATOM 1057 O ASN A 71 5.686 -14.313 17.756 1.00 0.18 O ATOM 1058 CB ASN A 71 6.061 -14.795 20.428 1.00 0.13 C ATOM 1059 CG ASN A 71 6.840 -15.933 19.769 1.00 0.22 C ATOM 1060 OD1 ASN A 71 8.002 -15.784 19.447 1.00 0.52 O ATOM 1061 ND2 ASN A 71 6.245 -17.075 19.551 1.00 0.92 N ATOM 0 H ASN A 71 5.147 -11.847 19.649 1.00 0.10 H new ATOM 0 HA ASN A 71 7.560 -13.304 20.117 1.00 0.12 H new ATOM 0 HB2 ASN A 71 6.223 -14.805 21.506 1.00 0.13 H new ATOM 0 HB3 ASN A 71 4.992 -14.930 20.265 1.00 0.13 H new ATOM 0 HD21 ASN A 71 6.756 -17.840 19.111 1.00 0.92 H new ATOM 0 HD22 ASN A 71 5.270 -17.202 19.821 1.00 0.92 H new ATOM 1068 N ALA A 72 6.959 -12.521 17.659 1.00 0.17 N ATOM 1069 CA ALA A 72 6.833 -12.417 16.177 1.00 0.17 C ATOM 1070 C ALA A 72 7.351 -13.671 15.465 1.00 0.15 C ATOM 1071 O ALA A 72 7.214 -13.785 14.272 1.00 0.16 O ATOM 1072 CB ALA A 72 7.616 -11.198 15.695 1.00 0.19 C ATOM 0 H ALA A 72 7.536 -11.799 18.090 1.00 0.17 H new ATOM 0 HA ALA A 72 5.775 -12.315 15.935 1.00 0.17 H new ATOM 0 HB1 ALA A 72 7.529 -11.115 14.612 1.00 0.19 H new ATOM 0 HB2 ALA A 72 7.213 -10.299 16.162 1.00 0.19 H new ATOM 0 HB3 ALA A 72 8.666 -11.309 15.967 1.00 0.19 H new ATOM 1078 N CYS A 73 7.932 -14.612 16.156 1.00 0.13 N ATOM 1079 CA CYS A 73 8.416 -15.836 15.450 1.00 0.13 C ATOM 1080 C CYS A 73 7.210 -16.555 14.834 1.00 0.15 C ATOM 1081 O CYS A 73 7.347 -17.424 13.995 1.00 0.20 O ATOM 1082 CB CYS A 73 9.126 -16.774 16.436 1.00 0.15 C ATOM 1083 SG CYS A 73 9.133 -18.460 15.766 1.00 0.19 S ATOM 0 H CYS A 73 8.092 -14.591 17.163 1.00 0.13 H new ATOM 0 HA CYS A 73 9.124 -15.552 14.671 1.00 0.13 H new ATOM 0 HB2 CYS A 73 10.148 -16.434 16.606 1.00 0.15 H new ATOM 0 HB3 CYS A 73 8.619 -16.756 17.401 1.00 0.15 H new ATOM 1088 N HIS A 74 6.025 -16.193 15.244 1.00 0.13 N ATOM 1089 CA HIS A 74 4.806 -16.850 14.689 1.00 0.16 C ATOM 1090 C HIS A 74 4.603 -16.424 13.233 1.00 0.11 C ATOM 1091 O HIS A 74 3.993 -17.126 12.450 1.00 0.10 O ATOM 1092 CB HIS A 74 3.593 -16.420 15.513 1.00 0.22 C ATOM 1093 CG HIS A 74 3.021 -17.608 16.237 1.00 0.45 C ATOM 1094 ND1 HIS A 74 1.676 -17.933 16.174 1.00 0.76 N ATOM 1095 CD2 HIS A 74 3.599 -18.556 17.043 1.00 0.59 C ATOM 1096 CE1 HIS A 74 1.489 -19.034 16.923 1.00 0.92 C ATOM 1097 NE2 HIS A 74 2.629 -19.456 17.476 1.00 0.79 N ATOM 0 H HIS A 74 5.847 -15.469 15.941 1.00 0.13 H new ATOM 0 HA HIS A 74 4.924 -17.933 14.732 1.00 0.16 H new ATOM 0 HB2 HIS A 74 3.883 -15.651 16.229 1.00 0.22 H new ATOM 0 HB3 HIS A 74 2.837 -15.981 14.862 1.00 0.22 H new ATOM 0 HD2 HIS A 74 4.647 -18.598 17.302 1.00 0.59 H new ATOM 0 HE1 HIS A 74 0.533 -19.518 17.061 1.00 0.92 H new ATOM 0 HE2 HIS A 74 2.761 -20.264 18.085 1.00 0.79 H new ATOM 1105 N PHE A 75 5.098 -15.276 12.870 1.00 0.10 N ATOM 1106 CA PHE A 75 4.925 -14.793 11.471 1.00 0.07 C ATOM 1107 C PHE A 75 6.277 -14.786 10.751 1.00 0.10 C ATOM 1108 O PHE A 75 6.348 -14.874 9.542 1.00 0.11 O ATOM 1109 CB PHE A 75 4.344 -13.381 11.510 1.00 0.09 C ATOM 1110 CG PHE A 75 3.066 -13.401 12.313 1.00 0.11 C ATOM 1111 CD1 PHE A 75 1.906 -13.969 11.770 1.00 0.20 C ATOM 1112 CD2 PHE A 75 3.041 -12.856 13.602 1.00 0.21 C ATOM 1113 CE1 PHE A 75 0.722 -13.990 12.515 1.00 0.27 C ATOM 1114 CE2 PHE A 75 1.856 -12.879 14.349 1.00 0.23 C ATOM 1115 CZ PHE A 75 0.697 -13.445 13.805 1.00 0.23 C ATOM 0 H PHE A 75 5.617 -14.648 13.483 1.00 0.10 H new ATOM 0 HA PHE A 75 4.249 -15.455 10.930 1.00 0.07 H new ATOM 0 HB2 PHE A 75 5.060 -12.691 11.957 1.00 0.09 H new ATOM 0 HB3 PHE A 75 4.148 -13.026 10.498 1.00 0.09 H new ATOM 0 HD1 PHE A 75 1.926 -14.391 10.776 1.00 0.20 H new ATOM 0 HD2 PHE A 75 3.935 -12.418 14.021 1.00 0.21 H new ATOM 0 HE1 PHE A 75 -0.172 -14.426 12.096 1.00 0.27 H new ATOM 0 HE2 PHE A 75 1.837 -12.460 15.344 1.00 0.23 H new ATOM 0 HZ PHE A 75 -0.217 -13.461 14.380 1.00 0.23 H new ATOM 1125 N VAL A 76 7.351 -14.708 11.486 1.00 0.12 N ATOM 1126 CA VAL A 76 8.694 -14.723 10.851 1.00 0.14 C ATOM 1127 C VAL A 76 9.308 -16.102 11.076 1.00 0.13 C ATOM 1128 O VAL A 76 8.764 -16.925 11.785 1.00 0.25 O ATOM 1129 CB VAL A 76 9.593 -13.627 11.441 1.00 0.12 C ATOM 1130 CG1 VAL A 76 8.779 -12.371 11.711 1.00 0.18 C ATOM 1131 CG2 VAL A 76 10.228 -14.113 12.740 1.00 0.08 C ATOM 0 H VAL A 76 7.354 -14.634 12.503 1.00 0.12 H new ATOM 0 HA VAL A 76 8.601 -14.523 9.784 1.00 0.14 H new ATOM 0 HB VAL A 76 10.379 -13.397 10.722 1.00 0.12 H new ATOM 0 HG11 VAL A 76 9.427 -11.601 12.129 1.00 0.18 H new ATOM 0 HG12 VAL A 76 8.344 -12.012 10.778 1.00 0.18 H new ATOM 0 HG13 VAL A 76 7.982 -12.599 12.419 1.00 0.18 H new ATOM 0 HG21 VAL A 76 10.864 -13.328 13.150 1.00 0.08 H new ATOM 0 HG22 VAL A 76 9.445 -14.358 13.458 1.00 0.08 H new ATOM 0 HG23 VAL A 76 10.829 -15.000 12.541 1.00 0.08 H new ATOM 1141 N LYS A 77 10.414 -16.376 10.457 1.00 0.25 N ATOM 1142 CA LYS A 77 11.040 -17.720 10.607 1.00 0.24 C ATOM 1143 C LYS A 77 12.093 -17.709 11.719 1.00 0.16 C ATOM 1144 O LYS A 77 13.253 -17.432 11.482 1.00 0.22 O ATOM 1145 CB LYS A 77 11.713 -18.152 9.290 1.00 0.42 C ATOM 1146 CG LYS A 77 11.500 -17.109 8.179 1.00 0.46 C ATOM 1147 CD LYS A 77 11.412 -17.810 6.824 1.00 1.32 C ATOM 1148 CE LYS A 77 10.327 -18.888 6.873 1.00 0.58 C ATOM 1149 NZ LYS A 77 9.359 -18.669 5.762 1.00 0.71 N ATOM 0 H LYS A 77 10.917 -15.728 9.850 1.00 0.25 H new ATOM 0 HA LYS A 77 10.250 -18.425 10.864 1.00 0.24 H new ATOM 0 HB2 LYS A 77 12.781 -18.295 9.456 1.00 0.42 H new ATOM 0 HB3 LYS A 77 11.308 -19.112 8.971 1.00 0.42 H new ATOM 0 HG2 LYS A 77 10.587 -16.545 8.367 1.00 0.46 H new ATOM 0 HG3 LYS A 77 12.322 -16.393 8.176 1.00 0.46 H new ATOM 0 HD2 LYS A 77 11.184 -17.085 6.042 1.00 1.32 H new ATOM 0 HD3 LYS A 77 12.373 -18.258 6.572 1.00 1.32 H new ATOM 0 HE2 LYS A 77 10.778 -19.877 6.787 1.00 0.58 H new ATOM 0 HE3 LYS A 77 9.810 -18.855 7.832 1.00 0.58 H new ATOM 0 HZ1 LYS A 77 8.621 -19.401 5.795 1.00 0.71 H new ATOM 0 HZ2 LYS A 77 8.921 -17.731 5.863 1.00 0.71 H new ATOM 0 HZ3 LYS A 77 9.858 -18.721 4.851 1.00 0.71 H new ATOM 1163 N CYS A 78 11.715 -18.043 12.925 1.00 0.07 N ATOM 1164 CA CYS A 78 12.720 -18.084 14.025 1.00 0.09 C ATOM 1165 C CYS A 78 13.305 -19.503 14.066 1.00 0.09 C ATOM 1166 O CYS A 78 12.637 -20.444 13.687 1.00 0.11 O ATOM 1167 CB CYS A 78 12.062 -17.730 15.365 1.00 0.14 C ATOM 1168 SG CYS A 78 11.041 -19.107 15.949 1.00 0.21 S ATOM 0 H CYS A 78 10.762 -18.287 13.193 1.00 0.07 H new ATOM 0 HA CYS A 78 13.511 -17.355 13.848 1.00 0.09 H new ATOM 0 HB2 CYS A 78 12.829 -17.498 16.104 1.00 0.14 H new ATOM 0 HB3 CYS A 78 11.448 -16.836 15.251 1.00 0.14 H new ATOM 1173 N PRO A 79 14.546 -19.625 14.474 1.00 0.09 N ATOM 1174 CA PRO A 79 15.382 -18.497 14.941 1.00 0.08 C ATOM 1175 C PRO A 79 15.780 -17.550 13.818 1.00 0.07 C ATOM 1176 O PRO A 79 16.244 -17.960 12.772 1.00 0.08 O ATOM 1177 CB PRO A 79 16.634 -19.178 15.506 1.00 0.13 C ATOM 1178 CG PRO A 79 16.689 -20.582 14.876 1.00 0.17 C ATOM 1179 CD PRO A 79 15.248 -20.925 14.463 1.00 0.14 C ATOM 0 HA PRO A 79 14.842 -17.882 15.661 1.00 0.08 H new ATOM 0 HB2 PRO A 79 17.530 -18.607 15.261 1.00 0.13 H new ATOM 0 HB3 PRO A 79 16.584 -19.242 16.593 1.00 0.13 H new ATOM 0 HG2 PRO A 79 17.355 -20.595 14.013 1.00 0.17 H new ATOM 0 HG3 PRO A 79 17.074 -21.313 15.587 1.00 0.17 H new ATOM 0 HD2 PRO A 79 15.216 -21.386 13.476 1.00 0.14 H new ATOM 0 HD3 PRO A 79 14.792 -21.629 15.159 1.00 0.14 H new ATOM 1187 N LEU A 80 15.647 -16.274 14.053 1.00 0.07 N ATOM 1188 CA LEU A 80 16.066 -15.293 13.030 1.00 0.09 C ATOM 1189 C LEU A 80 17.582 -15.241 13.066 1.00 0.09 C ATOM 1190 O LEU A 80 18.181 -14.834 14.041 1.00 0.08 O ATOM 1191 CB LEU A 80 15.503 -13.918 13.348 1.00 0.10 C ATOM 1192 CG LEU A 80 13.998 -14.021 13.582 1.00 0.17 C ATOM 1193 CD1 LEU A 80 13.519 -12.791 14.347 1.00 0.15 C ATOM 1194 CD2 LEU A 80 13.285 -14.100 12.232 1.00 0.25 C ATOM 0 H LEU A 80 15.266 -15.874 14.911 1.00 0.07 H new ATOM 0 HA LEU A 80 15.699 -15.586 12.046 1.00 0.09 H new ATOM 0 HB2 LEU A 80 15.991 -13.510 14.233 1.00 0.10 H new ATOM 0 HB3 LEU A 80 15.707 -13.232 12.526 1.00 0.10 H new ATOM 0 HG LEU A 80 13.774 -14.915 14.164 1.00 0.17 H new ATOM 0 HD11 LEU A 80 12.444 -12.863 14.515 1.00 0.15 H new ATOM 0 HD12 LEU A 80 14.033 -12.736 15.306 1.00 0.15 H new ATOM 0 HD13 LEU A 80 13.736 -11.894 13.767 1.00 0.15 H new ATOM 0 HD21 LEU A 80 12.209 -14.174 12.392 1.00 0.25 H new ATOM 0 HD22 LEU A 80 13.505 -13.204 11.651 1.00 0.25 H new ATOM 0 HD23 LEU A 80 13.632 -14.979 11.688 1.00 0.25 H new ATOM 1206 N VAL A 81 18.202 -15.688 12.031 1.00 0.12 N ATOM 1207 CA VAL A 81 19.684 -15.715 12.007 1.00 0.13 C ATOM 1208 C VAL A 81 20.242 -14.340 11.656 1.00 0.22 C ATOM 1209 O VAL A 81 19.740 -13.650 10.793 1.00 0.31 O ATOM 1210 CB VAL A 81 20.141 -16.742 10.979 1.00 0.13 C ATOM 1211 CG1 VAL A 81 21.666 -16.844 11.007 1.00 0.26 C ATOM 1212 CG2 VAL A 81 19.525 -18.100 11.327 1.00 0.52 C ATOM 0 H VAL A 81 17.748 -16.041 11.189 1.00 0.12 H new ATOM 0 HA VAL A 81 20.055 -15.988 12.995 1.00 0.13 H new ATOM 0 HB VAL A 81 19.821 -16.439 9.982 1.00 0.13 H new ATOM 0 HG11 VAL A 81 21.995 -17.579 10.272 1.00 0.26 H new ATOM 0 HG12 VAL A 81 22.100 -15.873 10.769 1.00 0.26 H new ATOM 0 HG13 VAL A 81 21.992 -17.153 12.000 1.00 0.26 H new ATOM 0 HG21 VAL A 81 19.846 -18.843 10.597 1.00 0.52 H new ATOM 0 HG22 VAL A 81 19.852 -18.404 12.321 1.00 0.52 H new ATOM 0 HG23 VAL A 81 18.438 -18.021 11.311 1.00 0.52 H new ATOM 1222 N LYS A 82 21.287 -13.946 12.325 1.00 0.27 N ATOM 1223 CA LYS A 82 21.909 -12.635 12.057 1.00 0.37 C ATOM 1224 C LYS A 82 22.465 -12.622 10.644 1.00 0.39 C ATOM 1225 O LYS A 82 23.410 -13.318 10.323 1.00 0.44 O ATOM 1226 CB LYS A 82 23.027 -12.428 13.073 1.00 0.49 C ATOM 1227 CG LYS A 82 23.689 -11.083 12.834 1.00 0.55 C ATOM 1228 CD LYS A 82 25.048 -11.052 13.540 1.00 0.73 C ATOM 1229 CE LYS A 82 25.413 -9.610 13.891 1.00 2.12 C ATOM 1230 NZ LYS A 82 26.493 -9.607 14.918 1.00 1.69 N ATOM 0 H LYS A 82 21.740 -14.492 13.058 1.00 0.27 H new ATOM 0 HA LYS A 82 21.177 -11.832 12.146 1.00 0.37 H new ATOM 0 HB2 LYS A 82 22.625 -12.472 14.085 1.00 0.49 H new ATOM 0 HB3 LYS A 82 23.763 -13.227 12.987 1.00 0.49 H new ATOM 0 HG2 LYS A 82 23.818 -10.914 11.765 1.00 0.55 H new ATOM 0 HG3 LYS A 82 23.054 -10.281 13.209 1.00 0.55 H new ATOM 0 HD2 LYS A 82 25.013 -11.659 14.445 1.00 0.73 H new ATOM 0 HD3 LYS A 82 25.813 -11.485 12.896 1.00 0.73 H new ATOM 0 HE2 LYS A 82 25.744 -9.080 12.998 1.00 2.12 H new ATOM 0 HE3 LYS A 82 24.536 -9.083 14.268 1.00 2.12 H new ATOM 0 HZ1 LYS A 82 26.742 -8.626 15.157 1.00 1.69 H new ATOM 0 HZ2 LYS A 82 26.161 -10.098 15.772 1.00 1.69 H new ATOM 0 HZ3 LYS A 82 27.331 -10.095 14.542 1.00 1.69 H new ATOM 1244 N GLY A 83 21.880 -11.830 9.795 1.00 0.37 N ATOM 1245 CA GLY A 83 22.361 -11.757 8.396 1.00 0.39 C ATOM 1246 C GLY A 83 21.232 -12.142 7.435 1.00 0.36 C ATOM 1247 O GLY A 83 21.304 -11.896 6.247 1.00 0.38 O ATOM 0 H GLY A 83 21.086 -11.228 10.013 1.00 0.37 H new ATOM 0 HA2 GLY A 83 22.710 -10.749 8.175 1.00 0.39 H new ATOM 0 HA3 GLY A 83 23.211 -12.426 8.259 1.00 0.39 H new ATOM 1251 N GLN A 84 20.182 -12.727 7.942 1.00 0.33 N ATOM 1252 CA GLN A 84 19.038 -13.110 7.070 1.00 0.32 C ATOM 1253 C GLN A 84 17.951 -12.068 7.246 1.00 0.30 C ATOM 1254 O GLN A 84 17.842 -11.454 8.281 1.00 0.31 O ATOM 1255 CB GLN A 84 18.482 -14.475 7.497 1.00 0.31 C ATOM 1256 CG GLN A 84 17.043 -14.647 6.977 1.00 0.26 C ATOM 1257 CD GLN A 84 17.046 -14.667 5.445 1.00 0.30 C ATOM 1258 OE1 GLN A 84 18.118 -15.052 4.805 1.00 1.68 O flip ATOM 1259 NE2 GLN A 84 16.059 -14.327 4.823 1.00 2.38 N flip ATOM 0 H GLN A 84 20.068 -12.957 8.929 1.00 0.33 H new ATOM 0 HA GLN A 84 19.367 -13.168 6.032 1.00 0.32 H new ATOM 0 HB2 GLN A 84 19.115 -15.272 7.108 1.00 0.31 H new ATOM 0 HB3 GLN A 84 18.497 -14.558 8.584 1.00 0.31 H new ATOM 0 HG2 GLN A 84 16.615 -15.573 7.361 1.00 0.26 H new ATOM 0 HG3 GLN A 84 16.416 -13.832 7.338 1.00 0.26 H new ATOM 0 HE21 GLN A 84 15.221 -14.026 5.321 1.00 2.38 H new ATOM 0 HE22 GLN A 84 16.068 -14.343 3.803 1.00 2.38 H new ATOM 1268 N GLN A 85 17.131 -11.875 6.266 1.00 0.30 N ATOM 1269 CA GLN A 85 16.046 -10.888 6.424 1.00 0.29 C ATOM 1270 C GLN A 85 14.755 -11.653 6.690 1.00 0.34 C ATOM 1271 O GLN A 85 14.629 -12.810 6.341 1.00 0.49 O ATOM 1272 CB GLN A 85 15.912 -10.044 5.161 1.00 0.27 C ATOM 1273 CG GLN A 85 14.440 -9.901 4.824 1.00 0.29 C ATOM 1274 CD GLN A 85 14.278 -9.034 3.574 1.00 0.27 C ATOM 1275 OE1 GLN A 85 14.796 -7.837 3.553 1.00 1.91 O flip ATOM 1276 NE2 GLN A 85 13.676 -9.452 2.606 1.00 1.86 N flip ATOM 0 H GLN A 85 17.164 -12.355 5.367 1.00 0.30 H new ATOM 0 HA GLN A 85 16.263 -10.215 7.253 1.00 0.29 H new ATOM 0 HB2 GLN A 85 16.362 -9.063 5.313 1.00 0.27 H new ATOM 0 HB3 GLN A 85 16.445 -10.514 4.334 1.00 0.27 H new ATOM 0 HG2 GLN A 85 13.999 -10.883 4.656 1.00 0.29 H new ATOM 0 HG3 GLN A 85 13.907 -9.451 5.662 1.00 0.29 H new ATOM 0 HE21 GLN A 85 13.271 -10.388 2.622 1.00 1.86 H new ATOM 0 HE22 GLN A 85 13.575 -8.867 1.776 1.00 1.86 H new ATOM 1285 N TYR A 86 13.804 -11.037 7.322 1.00 0.22 N ATOM 1286 CA TYR A 86 12.545 -11.761 7.621 1.00 0.26 C ATOM 1287 C TYR A 86 11.346 -10.880 7.289 1.00 0.24 C ATOM 1288 O TYR A 86 11.420 -9.668 7.327 1.00 0.24 O ATOM 1289 CB TYR A 86 12.550 -12.140 9.097 1.00 0.28 C ATOM 1290 CG TYR A 86 13.544 -13.244 9.297 1.00 0.22 C ATOM 1291 CD1 TYR A 86 14.908 -12.958 9.388 1.00 0.33 C ATOM 1292 CD2 TYR A 86 13.099 -14.557 9.374 1.00 0.10 C ATOM 1293 CE1 TYR A 86 15.826 -13.996 9.555 1.00 0.34 C ATOM 1294 CE2 TYR A 86 14.011 -15.597 9.544 1.00 0.14 C ATOM 1295 CZ TYR A 86 15.378 -15.319 9.632 1.00 0.26 C ATOM 1296 OH TYR A 86 16.281 -16.349 9.791 1.00 0.34 O ATOM 0 H TYR A 86 13.842 -10.070 7.643 1.00 0.22 H new ATOM 0 HA TYR A 86 12.472 -12.664 7.015 1.00 0.26 H new ATOM 0 HB2 TYR A 86 12.813 -11.277 9.709 1.00 0.28 H new ATOM 0 HB3 TYR A 86 11.557 -12.462 9.409 1.00 0.28 H new ATOM 0 HD1 TYR A 86 15.252 -11.936 9.329 1.00 0.33 H new ATOM 0 HD2 TYR A 86 12.043 -14.773 9.302 1.00 0.10 H new ATOM 0 HE1 TYR A 86 16.881 -13.778 9.625 1.00 0.34 H new ATOM 0 HE2 TYR A 86 13.662 -16.617 9.608 1.00 0.14 H new ATOM 0 HH TYR A 86 15.801 -17.203 9.827 1.00 0.34 H new ATOM 1306 N ASP A 87 10.239 -11.480 6.949 1.00 0.31 N ATOM 1307 CA ASP A 87 9.040 -10.673 6.599 1.00 0.32 C ATOM 1308 C ASP A 87 7.891 -11.025 7.543 1.00 0.24 C ATOM 1309 O ASP A 87 7.380 -12.127 7.531 1.00 0.22 O ATOM 1310 CB ASP A 87 8.634 -10.987 5.157 1.00 0.47 C ATOM 1311 CG ASP A 87 8.483 -12.500 4.987 1.00 0.53 C ATOM 1312 OD1 ASP A 87 9.487 -13.154 4.749 1.00 0.65 O ATOM 1313 OD2 ASP A 87 7.367 -12.981 5.096 1.00 0.50 O ATOM 0 H ASP A 87 10.114 -12.491 6.899 1.00 0.31 H new ATOM 0 HA ASP A 87 9.269 -9.612 6.696 1.00 0.32 H new ATOM 0 HB2 ASP A 87 7.696 -10.488 4.915 1.00 0.47 H new ATOM 0 HB3 ASP A 87 9.385 -10.606 4.465 1.00 0.47 H new ATOM 1318 N ILE A 88 7.485 -10.099 8.368 1.00 0.20 N ATOM 1319 CA ILE A 88 6.377 -10.388 9.313 1.00 0.15 C ATOM 1320 C ILE A 88 5.115 -9.614 8.955 1.00 0.21 C ATOM 1321 O ILE A 88 5.085 -8.401 8.964 1.00 0.28 O ATOM 1322 CB ILE A 88 6.770 -9.987 10.725 1.00 0.15 C ATOM 1323 CG1 ILE A 88 5.537 -10.095 11.625 1.00 0.15 C ATOM 1324 CG2 ILE A 88 7.275 -8.542 10.735 1.00 0.16 C ATOM 1325 CD1 ILE A 88 5.974 -10.234 13.079 1.00 0.15 C ATOM 0 H ILE A 88 7.874 -9.158 8.426 1.00 0.20 H new ATOM 0 HA ILE A 88 6.182 -11.458 9.249 1.00 0.15 H new ATOM 0 HB ILE A 88 7.562 -10.644 11.086 1.00 0.15 H new ATOM 0 HG12 ILE A 88 4.910 -9.212 11.506 1.00 0.15 H new ATOM 0 HG13 ILE A 88 4.935 -10.955 11.332 1.00 0.15 H new ATOM 0 HG21 ILE A 88 7.555 -8.261 11.750 1.00 0.16 H new ATOM 0 HG22 ILE A 88 8.144 -8.456 10.082 1.00 0.16 H new ATOM 0 HG23 ILE A 88 6.487 -7.879 10.380 1.00 0.16 H new ATOM 0 HD11 ILE A 88 5.094 -10.311 13.718 1.00 0.15 H new ATOM 0 HD12 ILE A 88 6.583 -11.131 13.192 1.00 0.15 H new ATOM 0 HD13 ILE A 88 6.557 -9.360 13.369 1.00 0.15 H new ATOM 1337 N LYS A 89 4.058 -10.324 8.719 1.00 0.22 N ATOM 1338 CA LYS A 89 2.753 -9.666 8.448 1.00 0.30 C ATOM 1339 C LYS A 89 1.958 -9.835 9.738 1.00 0.33 C ATOM 1340 O LYS A 89 1.613 -10.937 10.116 1.00 0.31 O ATOM 1341 CB LYS A 89 2.034 -10.355 7.287 1.00 0.34 C ATOM 1342 CG LYS A 89 0.579 -9.886 7.249 1.00 0.20 C ATOM 1343 CD LYS A 89 0.086 -9.861 5.801 1.00 0.96 C ATOM 1344 CE LYS A 89 -0.236 -8.421 5.397 1.00 2.03 C ATOM 1345 NZ LYS A 89 -1.232 -8.429 4.288 1.00 2.75 N ATOM 0 H LYS A 89 4.038 -11.344 8.701 1.00 0.22 H new ATOM 0 HA LYS A 89 2.871 -8.619 8.167 1.00 0.30 H new ATOM 0 HB2 LYS A 89 2.530 -10.119 6.345 1.00 0.34 H new ATOM 0 HB3 LYS A 89 2.077 -11.437 7.408 1.00 0.34 H new ATOM 0 HG2 LYS A 89 -0.044 -10.553 7.845 1.00 0.20 H new ATOM 0 HG3 LYS A 89 0.495 -8.893 7.690 1.00 0.20 H new ATOM 0 HD2 LYS A 89 0.847 -10.274 5.139 1.00 0.96 H new ATOM 0 HD3 LYS A 89 -0.801 -10.486 5.697 1.00 0.96 H new ATOM 0 HE2 LYS A 89 -0.631 -7.872 6.251 1.00 2.03 H new ATOM 0 HE3 LYS A 89 0.673 -7.908 5.081 1.00 2.03 H new ATOM 0 HZ1 LYS A 89 -1.452 -7.451 4.012 1.00 2.75 H new ATOM 0 HZ2 LYS A 89 -0.838 -8.939 3.472 1.00 2.75 H new ATOM 0 HZ3 LYS A 89 -2.101 -8.903 4.606 1.00 2.75 H new ATOM 1359 N TYR A 90 1.734 -8.781 10.465 1.00 0.40 N ATOM 1360 CA TYR A 90 1.048 -8.945 11.775 1.00 0.42 C ATOM 1361 C TYR A 90 -0.197 -8.069 11.916 1.00 0.41 C ATOM 1362 O TYR A 90 -0.222 -6.922 11.517 1.00 0.41 O ATOM 1363 CB TYR A 90 2.031 -8.567 12.880 1.00 0.40 C ATOM 1364 CG TYR A 90 1.348 -8.773 14.188 1.00 0.34 C ATOM 1365 CD1 TYR A 90 0.834 -10.026 14.480 1.00 0.34 C ATOM 1366 CD2 TYR A 90 1.200 -7.716 15.085 1.00 0.42 C ATOM 1367 CE1 TYR A 90 0.165 -10.242 15.677 1.00 0.36 C ATOM 1368 CE2 TYR A 90 0.523 -7.921 16.289 1.00 0.36 C ATOM 1369 CZ TYR A 90 0.003 -9.191 16.586 1.00 0.29 C ATOM 1370 OH TYR A 90 -0.677 -9.408 17.763 1.00 0.33 O ATOM 0 H TYR A 90 1.991 -7.826 10.216 1.00 0.40 H new ATOM 0 HA TYR A 90 0.724 -9.983 11.847 1.00 0.42 H new ATOM 0 HB2 TYR A 90 2.930 -9.180 12.818 1.00 0.40 H new ATOM 0 HB3 TYR A 90 2.345 -7.529 12.773 1.00 0.40 H new ATOM 0 HD1 TYR A 90 0.954 -10.836 13.775 1.00 0.34 H new ATOM 0 HD2 TYR A 90 1.607 -6.744 14.850 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -0.230 -11.221 15.906 1.00 0.36 H new ATOM 0 HE2 TYR A 90 0.400 -7.107 16.988 1.00 0.36 H new ATOM 0 HH TYR A 90 -1.630 -9.223 17.629 1.00 0.33 H new ATOM 1380 N THR A 91 -1.214 -8.605 12.548 1.00 0.38 N ATOM 1381 CA THR A 91 -2.450 -7.815 12.803 1.00 0.33 C ATOM 1382 C THR A 91 -2.272 -7.154 14.166 1.00 0.32 C ATOM 1383 O THR A 91 -1.658 -7.708 15.049 1.00 0.89 O ATOM 1384 CB THR A 91 -3.678 -8.729 12.831 1.00 0.31 C ATOM 1385 OG1 THR A 91 -3.283 -10.069 12.575 1.00 0.62 O ATOM 1386 CG2 THR A 91 -4.673 -8.270 11.766 1.00 0.72 C ATOM 0 H THR A 91 -1.236 -9.563 12.899 1.00 0.38 H new ATOM 0 HA THR A 91 -2.604 -7.077 12.016 1.00 0.33 H new ATOM 0 HB THR A 91 -4.148 -8.678 13.813 1.00 0.31 H new ATOM 0 HG1 THR A 91 -2.947 -10.474 13.401 1.00 0.62 H new ATOM 0 HG21 THR A 91 -5.549 -8.919 11.783 1.00 0.72 H new ATOM 0 HG22 THR A 91 -4.977 -7.244 11.971 1.00 0.72 H new ATOM 0 HG23 THR A 91 -4.203 -8.320 10.784 1.00 0.72 H new ATOM 1394 N TRP A 92 -2.755 -5.965 14.337 1.00 0.67 N ATOM 1395 CA TRP A 92 -2.549 -5.259 15.635 1.00 0.59 C ATOM 1396 C TRP A 92 -3.894 -4.960 16.296 1.00 0.57 C ATOM 1397 O TRP A 92 -4.471 -3.906 16.112 1.00 0.68 O ATOM 1398 CB TRP A 92 -1.786 -3.977 15.309 1.00 0.67 C ATOM 1399 CG TRP A 92 -1.399 -3.203 16.524 1.00 0.52 C ATOM 1400 CD1 TRP A 92 -0.632 -3.666 17.534 1.00 0.40 C ATOM 1401 CD2 TRP A 92 -1.704 -1.814 16.842 1.00 0.50 C ATOM 1402 NE1 TRP A 92 -0.441 -2.645 18.449 1.00 0.28 N ATOM 1403 CE2 TRP A 92 -1.083 -1.485 18.063 1.00 0.33 C ATOM 1404 CE3 TRP A 92 -2.452 -0.814 16.197 1.00 0.62 C ATOM 1405 CZ2 TRP A 92 -1.193 -0.210 18.614 1.00 0.27 C ATOM 1406 CZ3 TRP A 92 -2.568 0.466 16.762 1.00 0.58 C ATOM 1407 CH2 TRP A 92 -1.935 0.767 17.962 1.00 0.40 C ATOM 0 H TRP A 92 -3.285 -5.445 13.638 1.00 0.67 H new ATOM 0 HA TRP A 92 -1.986 -5.869 16.342 1.00 0.59 H new ATOM 0 HB2 TRP A 92 -0.888 -4.229 14.744 1.00 0.67 H new ATOM 0 HB3 TRP A 92 -2.401 -3.348 14.665 1.00 0.67 H new ATOM 0 HD1 TRP A 92 -0.234 -4.667 17.615 1.00 0.40 H new ATOM 0 HE1 TRP A 92 0.107 -2.738 19.304 1.00 0.28 H new ATOM 0 HE3 TRP A 92 -2.941 -1.032 15.259 1.00 0.62 H new ATOM 0 HZ2 TRP A 92 -0.701 0.019 19.548 1.00 0.27 H new ATOM 0 HZ3 TRP A 92 -3.153 1.222 16.260 1.00 0.58 H new ATOM 0 HH2 TRP A 92 -2.020 1.757 18.386 1.00 0.40 H new ATOM 1418 N ASN A 93 -4.392 -5.890 17.068 1.00 0.49 N ATOM 1419 CA ASN A 93 -5.699 -5.681 17.750 1.00 0.53 C ATOM 1420 C ASN A 93 -5.574 -4.523 18.741 1.00 0.71 C ATOM 1421 O ASN A 93 -5.012 -4.660 19.808 1.00 0.85 O ATOM 1422 CB ASN A 93 -6.081 -6.958 18.505 1.00 0.53 C ATOM 1423 CG ASN A 93 -7.507 -6.839 19.046 1.00 0.89 C ATOM 1424 OD1 ASN A 93 -8.463 -7.051 18.328 1.00 1.44 O ATOM 1425 ND2 ASN A 93 -7.692 -6.511 20.297 1.00 1.59 N ATOM 0 H ASN A 93 -3.946 -6.788 17.255 1.00 0.49 H new ATOM 0 HA ASN A 93 -6.466 -5.447 17.012 1.00 0.53 H new ATOM 0 HB2 ASN A 93 -6.006 -7.819 17.841 1.00 0.53 H new ATOM 0 HB3 ASN A 93 -5.385 -7.127 19.326 1.00 0.53 H new ATOM 0 HD21 ASN A 93 -8.638 -6.433 20.669 1.00 1.59 H new ATOM 0 HD22 ASN A 93 -6.890 -6.333 20.901 1.00 1.59 H new ATOM 1432 N VAL A 94 -6.102 -3.386 18.391 1.00 0.79 N ATOM 1433 CA VAL A 94 -6.029 -2.209 19.300 1.00 1.03 C ATOM 1434 C VAL A 94 -6.642 -2.578 20.659 1.00 1.18 C ATOM 1435 O VAL A 94 -7.615 -3.304 20.717 1.00 1.23 O ATOM 1436 CB VAL A 94 -6.817 -1.063 18.650 1.00 1.26 C ATOM 1437 CG1 VAL A 94 -7.021 0.087 19.637 1.00 1.80 C ATOM 1438 CG2 VAL A 94 -6.039 -0.549 17.438 1.00 1.39 C ATOM 0 H VAL A 94 -6.585 -3.219 17.508 1.00 0.79 H new ATOM 0 HA VAL A 94 -4.995 -1.903 19.460 1.00 1.03 H new ATOM 0 HB VAL A 94 -7.794 -1.439 18.346 1.00 1.26 H new ATOM 0 HG11 VAL A 94 -7.582 0.887 19.153 1.00 1.80 H new ATOM 0 HG12 VAL A 94 -7.576 -0.272 20.504 1.00 1.80 H new ATOM 0 HG13 VAL A 94 -6.051 0.467 19.958 1.00 1.80 H new ATOM 0 HG21 VAL A 94 -6.592 0.266 16.970 1.00 1.39 H new ATOM 0 HG22 VAL A 94 -5.062 -0.187 17.759 1.00 1.39 H new ATOM 0 HG23 VAL A 94 -5.908 -1.358 16.720 1.00 1.39 H new ATOM 1448 N PRO A 95 -6.062 -2.055 21.713 1.00 1.27 N ATOM 1449 CA PRO A 95 -6.536 -2.301 23.097 1.00 1.49 C ATOM 1450 C PRO A 95 -7.933 -1.722 23.336 1.00 1.87 C ATOM 1451 O PRO A 95 -8.503 -1.880 24.397 1.00 3.93 O ATOM 1452 CB PRO A 95 -5.487 -1.595 23.967 1.00 1.33 C ATOM 1453 CG PRO A 95 -4.781 -0.578 23.051 1.00 1.17 C ATOM 1454 CD PRO A 95 -4.883 -1.162 21.631 1.00 1.20 C ATOM 0 HA PRO A 95 -6.632 -3.364 23.319 1.00 1.49 H new ATOM 0 HB2 PRO A 95 -5.957 -1.095 24.814 1.00 1.33 H new ATOM 0 HB3 PRO A 95 -4.774 -2.311 24.375 1.00 1.33 H new ATOM 0 HG2 PRO A 95 -5.259 0.400 23.108 1.00 1.17 H new ATOM 0 HG3 PRO A 95 -3.740 -0.441 23.345 1.00 1.17 H new ATOM 0 HD2 PRO A 95 -5.022 -0.381 20.884 1.00 1.20 H new ATOM 0 HD3 PRO A 95 -3.982 -1.710 21.356 1.00 1.20 H new ATOM 1462 N LYS A 96 -8.490 -1.053 22.370 1.00 0.68 N ATOM 1463 CA LYS A 96 -9.843 -0.469 22.552 1.00 0.67 C ATOM 1464 C LYS A 96 -9.783 0.646 23.607 1.00 0.62 C ATOM 1465 O LYS A 96 -10.782 1.260 23.925 1.00 0.70 O ATOM 1466 CB LYS A 96 -10.818 -1.562 23.002 1.00 0.96 C ATOM 1467 CG LYS A 96 -10.482 -2.877 22.292 1.00 1.12 C ATOM 1468 CD LYS A 96 -11.657 -3.298 21.423 1.00 1.30 C ATOM 1469 CE LYS A 96 -12.570 -4.233 22.216 1.00 2.45 C ATOM 1470 NZ LYS A 96 -12.579 -5.580 21.578 1.00 3.25 N ATOM 0 H LYS A 96 -8.064 -0.885 21.458 1.00 0.68 H new ATOM 0 HA LYS A 96 -10.189 -0.050 21.607 1.00 0.67 H new ATOM 0 HB2 LYS A 96 -10.757 -1.695 24.082 1.00 0.96 H new ATOM 0 HB3 LYS A 96 -11.842 -1.266 22.774 1.00 0.96 H new ATOM 0 HG2 LYS A 96 -9.589 -2.754 21.680 1.00 1.12 H new ATOM 0 HG3 LYS A 96 -10.262 -3.653 23.025 1.00 1.12 H new ATOM 0 HD2 LYS A 96 -12.214 -2.420 21.096 1.00 1.30 H new ATOM 0 HD3 LYS A 96 -11.297 -3.800 20.525 1.00 1.30 H new ATOM 0 HE2 LYS A 96 -12.223 -4.310 23.246 1.00 2.45 H new ATOM 0 HE3 LYS A 96 -13.582 -3.828 22.250 1.00 2.45 H new ATOM 0 HZ1 LYS A 96 -13.200 -6.216 22.118 1.00 3.25 H new ATOM 0 HZ2 LYS A 96 -12.930 -5.500 20.602 1.00 3.25 H new ATOM 0 HZ3 LYS A 96 -11.613 -5.966 21.568 1.00 3.25 H new ATOM 1484 N ILE A 97 -8.617 0.928 24.143 1.00 0.54 N ATOM 1485 CA ILE A 97 -8.503 2.006 25.155 1.00 0.48 C ATOM 1486 C ILE A 97 -7.964 3.249 24.472 1.00 0.45 C ATOM 1487 O ILE A 97 -8.257 4.360 24.868 1.00 0.42 O ATOM 1488 CB ILE A 97 -7.516 1.580 26.235 1.00 0.44 C ATOM 1489 CG1 ILE A 97 -6.080 1.737 25.713 1.00 0.40 C ATOM 1490 CG2 ILE A 97 -7.771 0.122 26.619 1.00 0.49 C ATOM 1491 CD1 ILE A 97 -5.089 1.428 26.835 1.00 0.35 C ATOM 0 H ILE A 97 -7.744 0.452 23.917 1.00 0.54 H new ATOM 0 HA ILE A 97 -9.478 2.203 25.601 1.00 0.48 H new ATOM 0 HB ILE A 97 -7.649 2.210 27.114 1.00 0.44 H new ATOM 0 HG12 ILE A 97 -5.913 1.065 24.871 1.00 0.40 H new ATOM 0 HG13 ILE A 97 -5.925 2.752 25.346 1.00 0.40 H new ATOM 0 HG21 ILE A 97 -7.064 -0.180 27.391 1.00 0.49 H new ATOM 0 HG22 ILE A 97 -8.788 0.018 26.997 1.00 0.49 H new ATOM 0 HG23 ILE A 97 -7.643 -0.513 25.742 1.00 0.49 H new ATOM 0 HD11 ILE A 97 -4.071 1.540 26.462 1.00 0.35 H new ATOM 0 HD12 ILE A 97 -5.250 2.118 27.663 1.00 0.35 H new ATOM 0 HD13 ILE A 97 -5.238 0.405 27.181 1.00 0.35 H new ATOM 1503 N ALA A 98 -7.170 3.051 23.451 1.00 0.48 N ATOM 1504 CA ALA A 98 -6.583 4.198 22.704 1.00 0.47 C ATOM 1505 C ALA A 98 -7.589 5.353 22.711 1.00 0.46 C ATOM 1506 O ALA A 98 -8.691 5.215 22.218 1.00 0.46 O ATOM 1507 CB ALA A 98 -6.296 3.781 21.264 1.00 0.43 C ATOM 0 H ALA A 98 -6.902 2.131 23.101 1.00 0.48 H new ATOM 0 HA ALA A 98 -5.651 4.510 23.176 1.00 0.47 H new ATOM 0 HB1 ALA A 98 -5.867 4.622 20.720 1.00 0.43 H new ATOM 0 HB2 ALA A 98 -5.592 2.949 21.260 1.00 0.43 H new ATOM 0 HB3 ALA A 98 -7.224 3.473 20.782 1.00 0.43 H new ATOM 1513 N PRO A 99 -7.192 6.443 23.300 1.00 0.47 N ATOM 1514 CA PRO A 99 -8.049 7.628 23.429 1.00 0.47 C ATOM 1515 C PRO A 99 -8.067 8.410 22.119 1.00 0.41 C ATOM 1516 O PRO A 99 -7.361 8.085 21.186 1.00 0.99 O ATOM 1517 CB PRO A 99 -7.383 8.424 24.558 1.00 0.52 C ATOM 1518 CG PRO A 99 -5.912 7.946 24.629 1.00 0.54 C ATOM 1519 CD PRO A 99 -5.849 6.598 23.886 1.00 0.50 C ATOM 0 HA PRO A 99 -9.091 7.396 23.647 1.00 0.47 H new ATOM 0 HB2 PRO A 99 -7.433 9.495 24.359 1.00 0.52 H new ATOM 0 HB3 PRO A 99 -7.892 8.252 25.506 1.00 0.52 H new ATOM 0 HG2 PRO A 99 -5.246 8.674 24.167 1.00 0.54 H new ATOM 0 HG3 PRO A 99 -5.591 7.833 25.665 1.00 0.54 H new ATOM 0 HD2 PRO A 99 -5.077 6.604 23.116 1.00 0.50 H new ATOM 0 HD3 PRO A 99 -5.615 5.779 24.566 1.00 0.50 H new ATOM 1527 N LYS A 100 -8.871 9.431 22.039 1.00 0.59 N ATOM 1528 CA LYS A 100 -8.929 10.230 20.789 1.00 0.47 C ATOM 1529 C LYS A 100 -7.755 11.207 20.783 1.00 0.33 C ATOM 1530 O LYS A 100 -7.917 12.398 20.961 1.00 0.35 O ATOM 1531 CB LYS A 100 -10.259 10.987 20.736 1.00 0.68 C ATOM 1532 CG LYS A 100 -11.161 10.338 19.680 1.00 0.70 C ATOM 1533 CD LYS A 100 -11.535 11.371 18.616 1.00 1.51 C ATOM 1534 CE LYS A 100 -10.282 12.137 18.189 1.00 2.48 C ATOM 1535 NZ LYS A 100 -10.373 13.543 18.673 1.00 4.05 N ATOM 0 H LYS A 100 -9.490 9.746 22.786 1.00 0.59 H new ATOM 0 HA LYS A 100 -8.863 9.582 19.915 1.00 0.47 H new ATOM 0 HB2 LYS A 100 -10.745 10.964 21.712 1.00 0.68 H new ATOM 0 HB3 LYS A 100 -10.086 12.035 20.491 1.00 0.68 H new ATOM 0 HG2 LYS A 100 -10.647 9.495 19.218 1.00 0.70 H new ATOM 0 HG3 LYS A 100 -12.062 9.943 20.150 1.00 0.70 H new ATOM 0 HD2 LYS A 100 -11.983 10.876 17.755 1.00 1.51 H new ATOM 0 HD3 LYS A 100 -12.280 12.062 19.010 1.00 1.51 H new ATOM 0 HE2 LYS A 100 -9.392 11.657 18.597 1.00 2.48 H new ATOM 0 HE3 LYS A 100 -10.184 12.120 17.104 1.00 2.48 H new ATOM 0 HZ1 LYS A 100 -9.437 13.859 18.999 1.00 4.05 H new ATOM 0 HZ2 LYS A 100 -10.695 14.157 17.898 1.00 4.05 H new ATOM 0 HZ3 LYS A 100 -11.050 13.596 19.461 1.00 4.05 H new ATOM 1549 N SER A 101 -6.568 10.703 20.581 1.00 0.44 N ATOM 1550 CA SER A 101 -5.374 11.580 20.565 1.00 0.36 C ATOM 1551 C SER A 101 -5.260 12.223 19.183 1.00 0.31 C ATOM 1552 O SER A 101 -4.871 11.588 18.222 1.00 0.42 O ATOM 1553 CB SER A 101 -4.131 10.734 20.866 1.00 0.36 C ATOM 1554 OG SER A 101 -3.366 10.581 19.680 1.00 2.22 O ATOM 0 H SER A 101 -6.378 9.713 20.426 1.00 0.44 H new ATOM 0 HA SER A 101 -5.460 12.362 21.319 1.00 0.36 H new ATOM 0 HB2 SER A 101 -3.531 11.212 21.640 1.00 0.36 H new ATOM 0 HB3 SER A 101 -4.426 9.758 21.250 1.00 0.36 H new ATOM 0 HG SER A 101 -2.493 11.012 19.796 1.00 2.22 H new ATOM 1560 N GLU A 102 -5.617 13.476 19.071 1.00 0.36 N ATOM 1561 CA GLU A 102 -5.548 14.157 17.748 1.00 0.56 C ATOM 1562 C GLU A 102 -4.261 13.750 17.029 1.00 0.33 C ATOM 1563 O GLU A 102 -4.210 13.690 15.816 1.00 0.17 O ATOM 1564 CB GLU A 102 -5.591 15.678 17.943 1.00 0.82 C ATOM 1565 CG GLU A 102 -4.175 16.231 18.110 1.00 1.03 C ATOM 1566 CD GLU A 102 -3.648 16.701 16.751 1.00 2.86 C ATOM 1567 OE1 GLU A 102 -3.293 15.854 15.948 1.00 5.03 O ATOM 1568 OE2 GLU A 102 -3.609 17.902 16.538 1.00 2.49 O ATOM 0 H GLU A 102 -5.953 14.056 19.840 1.00 0.36 H new ATOM 0 HA GLU A 102 -6.402 13.858 17.141 1.00 0.56 H new ATOM 0 HB2 GLU A 102 -6.074 16.148 17.086 1.00 0.82 H new ATOM 0 HB3 GLU A 102 -6.190 15.922 18.820 1.00 0.82 H new ATOM 0 HG2 GLU A 102 -4.178 17.060 18.818 1.00 1.03 H new ATOM 0 HG3 GLU A 102 -3.519 15.463 18.521 1.00 1.03 H new ATOM 1575 N ASN A 103 -3.224 13.457 17.763 1.00 0.36 N ATOM 1576 CA ASN A 103 -1.956 13.039 17.108 1.00 0.19 C ATOM 1577 C ASN A 103 -1.409 11.792 17.802 1.00 0.19 C ATOM 1578 O ASN A 103 -1.327 11.732 19.012 1.00 0.31 O ATOM 1579 CB ASN A 103 -0.927 14.166 17.204 1.00 0.32 C ATOM 1580 CG ASN A 103 -0.320 14.414 15.825 1.00 0.34 C ATOM 1581 OD1 ASN A 103 0.425 13.598 15.319 1.00 1.91 O ATOM 1582 ND2 ASN A 103 -0.606 15.516 15.189 1.00 2.44 N ATOM 0 H ASN A 103 -3.200 13.489 18.782 1.00 0.36 H new ATOM 0 HA ASN A 103 -2.151 12.817 16.059 1.00 0.19 H new ATOM 0 HB2 ASN A 103 -1.400 15.075 17.575 1.00 0.32 H new ATOM 0 HB3 ASN A 103 -0.145 13.901 17.916 1.00 0.32 H new ATOM 0 HD21 ASN A 103 -0.205 15.692 14.268 1.00 2.44 H new ATOM 0 HD22 ASN A 103 -1.231 16.202 15.613 1.00 2.44 H new ATOM 1589 N VAL A 104 -1.035 10.796 17.046 1.00 0.15 N ATOM 1590 CA VAL A 104 -0.499 9.556 17.666 1.00 0.22 C ATOM 1591 C VAL A 104 0.794 9.139 16.966 1.00 0.19 C ATOM 1592 O VAL A 104 0.934 9.273 15.767 1.00 0.20 O ATOM 1593 CB VAL A 104 -1.526 8.435 17.519 1.00 0.34 C ATOM 1594 CG1 VAL A 104 -0.823 7.156 17.059 1.00 0.85 C ATOM 1595 CG2 VAL A 104 -2.202 8.184 18.865 1.00 0.62 C ATOM 0 H VAL A 104 -1.078 10.789 16.027 1.00 0.15 H new ATOM 0 HA VAL A 104 -0.296 9.743 18.720 1.00 0.22 H new ATOM 0 HB VAL A 104 -2.276 8.725 16.782 1.00 0.34 H new ATOM 0 HG11 VAL A 104 -1.556 6.356 16.954 1.00 0.85 H new ATOM 0 HG12 VAL A 104 -0.338 7.332 16.099 1.00 0.85 H new ATOM 0 HG13 VAL A 104 -0.074 6.867 17.796 1.00 0.85 H new ATOM 0 HG21 VAL A 104 -2.935 7.384 18.760 1.00 0.62 H new ATOM 0 HG22 VAL A 104 -1.452 7.895 19.601 1.00 0.62 H new ATOM 0 HG23 VAL A 104 -2.703 9.094 19.196 1.00 0.62 H new ATOM 1605 N VAL A 105 1.726 8.602 17.699 1.00 0.20 N ATOM 1606 CA VAL A 105 2.991 8.140 17.070 1.00 0.22 C ATOM 1607 C VAL A 105 3.114 6.643 17.335 1.00 0.25 C ATOM 1608 O VAL A 105 3.245 6.214 18.461 1.00 0.26 O ATOM 1609 CB VAL A 105 4.180 8.877 17.693 1.00 0.15 C ATOM 1610 CG1 VAL A 105 5.464 8.511 16.942 1.00 0.46 C ATOM 1611 CG2 VAL A 105 3.947 10.386 17.596 1.00 0.35 C ATOM 0 H VAL A 105 1.666 8.463 18.708 1.00 0.20 H new ATOM 0 HA VAL A 105 2.985 8.342 15.999 1.00 0.22 H new ATOM 0 HB VAL A 105 4.279 8.587 18.739 1.00 0.15 H new ATOM 0 HG11 VAL A 105 6.308 9.037 17.387 1.00 0.46 H new ATOM 0 HG12 VAL A 105 5.630 7.436 17.008 1.00 0.46 H new ATOM 0 HG13 VAL A 105 5.368 8.800 15.895 1.00 0.46 H new ATOM 0 HG21 VAL A 105 4.792 10.914 18.039 1.00 0.35 H new ATOM 0 HG22 VAL A 105 3.849 10.672 16.549 1.00 0.35 H new ATOM 0 HG23 VAL A 105 3.034 10.648 18.131 1.00 0.35 H new ATOM 1621 N VAL A 106 3.049 5.836 16.322 1.00 0.27 N ATOM 1622 CA VAL A 106 3.131 4.372 16.559 1.00 0.28 C ATOM 1623 C VAL A 106 4.562 3.878 16.346 1.00 0.31 C ATOM 1624 O VAL A 106 5.242 4.275 15.420 1.00 0.34 O ATOM 1625 CB VAL A 106 2.169 3.656 15.615 1.00 0.28 C ATOM 1626 CG1 VAL A 106 1.817 2.287 16.198 1.00 0.30 C ATOM 1627 CG2 VAL A 106 0.894 4.492 15.477 1.00 0.32 C ATOM 0 H VAL A 106 2.944 6.120 15.348 1.00 0.27 H new ATOM 0 HA VAL A 106 2.850 4.155 17.589 1.00 0.28 H new ATOM 0 HB VAL A 106 2.634 3.527 14.638 1.00 0.28 H new ATOM 0 HG11 VAL A 106 1.130 1.772 15.527 1.00 0.30 H new ATOM 0 HG12 VAL A 106 2.725 1.695 16.312 1.00 0.30 H new ATOM 0 HG13 VAL A 106 1.344 2.417 17.172 1.00 0.30 H new ATOM 0 HG21 VAL A 106 0.200 3.989 14.804 1.00 0.32 H new ATOM 0 HG22 VAL A 106 0.429 4.611 16.456 1.00 0.32 H new ATOM 0 HG23 VAL A 106 1.144 5.473 15.073 1.00 0.32 H new ATOM 1637 N THR A 107 5.018 3.019 17.215 1.00 0.32 N ATOM 1638 CA THR A 107 6.405 2.487 17.109 1.00 0.34 C ATOM 1639 C THR A 107 6.364 0.979 16.918 1.00 0.39 C ATOM 1640 O THR A 107 5.805 0.270 17.718 1.00 0.55 O ATOM 1641 CB THR A 107 7.142 2.763 18.416 1.00 0.35 C ATOM 1642 OG1 THR A 107 7.240 4.165 18.625 1.00 0.48 O ATOM 1643 CG2 THR A 107 8.544 2.150 18.351 1.00 0.48 C ATOM 0 H THR A 107 4.481 2.659 18.004 1.00 0.32 H new ATOM 0 HA THR A 107 6.905 2.964 16.266 1.00 0.34 H new ATOM 0 HB THR A 107 6.590 2.317 19.243 1.00 0.35 H new ATOM 0 HG1 THR A 107 7.712 4.338 19.466 1.00 0.48 H new ATOM 0 HG21 THR A 107 9.071 2.347 19.285 1.00 0.48 H new ATOM 0 HG22 THR A 107 8.464 1.074 18.200 1.00 0.48 H new ATOM 0 HG23 THR A 107 9.097 2.593 17.522 1.00 0.48 H new ATOM 1651 N VAL A 108 6.981 0.477 15.897 1.00 0.28 N ATOM 1652 CA VAL A 108 6.996 -0.996 15.701 1.00 0.31 C ATOM 1653 C VAL A 108 8.369 -1.501 16.148 1.00 0.30 C ATOM 1654 O VAL A 108 9.379 -0.958 15.761 1.00 0.24 O ATOM 1655 CB VAL A 108 6.783 -1.304 14.221 1.00 0.30 C ATOM 1656 CG1 VAL A 108 8.063 -1.898 13.627 1.00 0.32 C ATOM 1657 CG2 VAL A 108 5.625 -2.294 14.072 1.00 0.33 C ATOM 0 H VAL A 108 7.476 1.018 15.188 1.00 0.28 H new ATOM 0 HA VAL A 108 6.207 -1.481 16.276 1.00 0.31 H new ATOM 0 HB VAL A 108 6.541 -0.385 13.687 1.00 0.30 H new ATOM 0 HG11 VAL A 108 7.907 -2.116 12.571 1.00 0.32 H new ATOM 0 HG12 VAL A 108 8.879 -1.183 13.733 1.00 0.32 H new ATOM 0 HG13 VAL A 108 8.316 -2.818 14.154 1.00 0.32 H new ATOM 0 HG21 VAL A 108 5.470 -2.516 13.016 1.00 0.33 H new ATOM 0 HG22 VAL A 108 5.862 -3.214 14.606 1.00 0.33 H new ATOM 0 HG23 VAL A 108 4.717 -1.857 14.488 1.00 0.33 H new ATOM 1667 N LYS A 109 8.443 -2.502 16.975 1.00 0.38 N ATOM 1668 CA LYS A 109 9.796 -2.937 17.421 1.00 0.39 C ATOM 1669 C LYS A 109 9.911 -4.455 17.525 1.00 0.38 C ATOM 1670 O LYS A 109 9.112 -5.118 18.146 1.00 0.38 O ATOM 1671 CB LYS A 109 10.085 -2.318 18.791 1.00 0.38 C ATOM 1672 CG LYS A 109 11.568 -1.958 18.885 1.00 0.40 C ATOM 1673 CD LYS A 109 12.082 -2.272 20.292 1.00 0.38 C ATOM 1674 CE LYS A 109 10.976 -1.981 21.312 1.00 0.75 C ATOM 1675 NZ LYS A 109 11.585 -1.495 22.582 1.00 1.81 N ATOM 0 H LYS A 109 7.654 -3.026 17.353 1.00 0.38 H new ATOM 0 HA LYS A 109 10.519 -2.602 16.677 1.00 0.39 H new ATOM 0 HB2 LYS A 109 9.474 -1.427 18.936 1.00 0.38 H new ATOM 0 HB3 LYS A 109 9.819 -3.019 19.582 1.00 0.38 H new ATOM 0 HG2 LYS A 109 12.137 -2.520 18.145 1.00 0.40 H new ATOM 0 HG3 LYS A 109 11.711 -0.901 18.662 1.00 0.40 H new ATOM 0 HD2 LYS A 109 12.386 -3.317 20.356 1.00 0.38 H new ATOM 0 HD3 LYS A 109 12.963 -1.670 20.512 1.00 0.38 H new ATOM 0 HE2 LYS A 109 10.289 -1.233 20.916 1.00 0.75 H new ATOM 0 HE3 LYS A 109 10.392 -2.882 21.498 1.00 0.75 H new ATOM 0 HZ1 LYS A 109 10.834 -1.298 23.274 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 12.223 -2.223 22.962 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 12.124 -0.625 22.398 1.00 1.81 H new ATOM 1689 N LEU A 110 10.942 -5.003 16.959 1.00 0.35 N ATOM 1690 CA LEU A 110 11.158 -6.464 17.062 1.00 0.32 C ATOM 1691 C LEU A 110 12.275 -6.670 18.076 1.00 0.29 C ATOM 1692 O LEU A 110 13.221 -5.910 18.111 1.00 0.29 O ATOM 1693 CB LEU A 110 11.583 -7.037 15.709 1.00 0.30 C ATOM 1694 CG LEU A 110 10.413 -6.963 14.731 1.00 0.27 C ATOM 1695 CD1 LEU A 110 10.714 -7.854 13.528 1.00 0.26 C ATOM 1696 CD2 LEU A 110 9.139 -7.450 15.423 1.00 0.29 C ATOM 0 H LEU A 110 11.649 -4.497 16.426 1.00 0.35 H new ATOM 0 HA LEU A 110 10.242 -6.969 17.367 1.00 0.32 H new ATOM 0 HB2 LEU A 110 12.433 -6.479 15.317 1.00 0.30 H new ATOM 0 HB3 LEU A 110 11.907 -8.071 15.826 1.00 0.30 H new ATOM 0 HG LEU A 110 10.272 -5.934 14.401 1.00 0.27 H new ATOM 0 HD11 LEU A 110 9.883 -7.807 12.824 1.00 0.26 H new ATOM 0 HD12 LEU A 110 11.625 -7.509 13.038 1.00 0.26 H new ATOM 0 HD13 LEU A 110 10.849 -8.883 13.862 1.00 0.26 H new ATOM 0 HD21 LEU A 110 8.303 -7.397 14.725 1.00 0.29 H new ATOM 0 HD22 LEU A 110 9.274 -8.481 15.750 1.00 0.29 H new ATOM 0 HD23 LEU A 110 8.930 -6.819 16.287 1.00 0.29 H new ATOM 1708 N ILE A 111 12.179 -7.648 18.926 1.00 0.25 N ATOM 1709 CA ILE A 111 13.241 -7.830 19.931 1.00 0.22 C ATOM 1710 C ILE A 111 13.569 -9.312 20.092 1.00 0.22 C ATOM 1711 O ILE A 111 12.779 -10.082 20.601 1.00 0.30 O ATOM 1712 CB ILE A 111 12.759 -7.271 21.264 1.00 0.26 C ATOM 1713 CG1 ILE A 111 12.490 -5.770 21.133 1.00 0.39 C ATOM 1714 CG2 ILE A 111 13.840 -7.503 22.300 1.00 0.34 C ATOM 1715 CD1 ILE A 111 11.066 -5.550 20.623 1.00 0.36 C ATOM 0 H ILE A 111 11.415 -8.322 18.964 1.00 0.25 H new ATOM 0 HA ILE A 111 14.139 -7.305 19.605 1.00 0.22 H new ATOM 0 HB ILE A 111 11.836 -7.769 21.563 1.00 0.26 H new ATOM 0 HG12 ILE A 111 12.622 -5.281 22.098 1.00 0.39 H new ATOM 0 HG13 ILE A 111 13.207 -5.320 20.447 1.00 0.39 H new ATOM 0 HG21 ILE A 111 13.513 -7.109 23.262 1.00 0.34 H new ATOM 0 HG22 ILE A 111 14.032 -8.572 22.392 1.00 0.34 H new ATOM 0 HG23 ILE A 111 14.754 -6.995 21.992 1.00 0.34 H new ATOM 0 HD11 ILE A 111 10.874 -4.481 20.530 1.00 0.36 H new ATOM 0 HD12 ILE A 111 10.951 -6.026 19.649 1.00 0.36 H new ATOM 0 HD13 ILE A 111 10.356 -5.986 21.326 1.00 0.36 H new ATOM 1727 N GLY A 112 14.740 -9.708 19.683 1.00 0.24 N ATOM 1728 CA GLY A 112 15.137 -11.133 19.831 1.00 0.27 C ATOM 1729 C GLY A 112 15.631 -11.352 21.259 1.00 0.37 C ATOM 1730 O GLY A 112 15.199 -10.689 22.181 1.00 0.56 O ATOM 0 H GLY A 112 15.440 -9.105 19.252 1.00 0.24 H new ATOM 0 HA2 GLY A 112 14.291 -11.786 19.619 1.00 0.27 H new ATOM 0 HA3 GLY A 112 15.921 -11.384 19.116 1.00 0.27 H new ATOM 1734 N ASP A 113 16.534 -12.271 21.453 1.00 0.71 N ATOM 1735 CA ASP A 113 17.052 -12.520 22.826 1.00 0.77 C ATOM 1736 C ASP A 113 18.345 -11.731 23.042 1.00 0.77 C ATOM 1737 O ASP A 113 18.934 -11.768 24.106 1.00 0.83 O ATOM 1738 CB ASP A 113 17.338 -14.012 22.995 1.00 0.90 C ATOM 1739 CG ASP A 113 16.274 -14.636 23.897 1.00 0.98 C ATOM 1740 OD1 ASP A 113 15.702 -13.909 24.694 1.00 1.68 O ATOM 1741 OD2 ASP A 113 16.046 -15.827 23.776 1.00 0.88 O ATOM 0 H ASP A 113 16.935 -12.859 20.722 1.00 0.71 H new ATOM 0 HA ASP A 113 16.308 -12.201 23.556 1.00 0.77 H new ATOM 0 HB2 ASP A 113 17.340 -14.505 22.023 1.00 0.90 H new ATOM 0 HB3 ASP A 113 18.328 -14.157 23.428 1.00 0.90 H new ATOM 1746 N ASN A 114 18.800 -11.026 22.042 1.00 0.71 N ATOM 1747 CA ASN A 114 20.065 -10.252 22.200 1.00 0.71 C ATOM 1748 C ASN A 114 19.795 -8.744 22.100 1.00 0.59 C ATOM 1749 O ASN A 114 20.701 -7.942 22.218 1.00 0.54 O ATOM 1750 CB ASN A 114 21.050 -10.666 21.105 1.00 0.78 C ATOM 1751 CG ASN A 114 21.752 -11.963 21.513 1.00 1.44 C ATOM 1752 OD1 ASN A 114 21.034 -13.008 21.820 1.00 1.62 O flip ATOM 1753 ND2 ASN A 114 22.966 -12.026 21.551 1.00 2.49 N flip ATOM 0 H ASN A 114 18.354 -10.952 21.128 1.00 0.71 H new ATOM 0 HA ASN A 114 20.486 -10.465 23.182 1.00 0.71 H new ATOM 0 HB2 ASN A 114 20.523 -10.807 20.161 1.00 0.78 H new ATOM 0 HB3 ASN A 114 21.785 -9.877 20.945 1.00 0.78 H new ATOM 0 HD21 ASN A 114 23.527 -11.209 21.311 1.00 2.49 H new ATOM 0 HD22 ASN A 114 23.423 -12.896 21.823 1.00 2.49 H new ATOM 1760 N GLY A 115 18.569 -8.345 21.894 1.00 0.54 N ATOM 1761 CA GLY A 115 18.276 -6.881 21.801 1.00 0.42 C ATOM 1762 C GLY A 115 17.132 -6.629 20.811 1.00 0.34 C ATOM 1763 O GLY A 115 16.468 -7.545 20.369 1.00 0.44 O ATOM 0 H GLY A 115 17.763 -8.961 21.787 1.00 0.54 H new ATOM 0 HA2 GLY A 115 18.007 -6.494 22.784 1.00 0.42 H new ATOM 0 HA3 GLY A 115 19.169 -6.344 21.480 1.00 0.42 H new ATOM 1767 N VAL A 116 16.897 -5.387 20.462 1.00 0.45 N ATOM 1768 CA VAL A 116 15.795 -5.071 19.502 1.00 0.34 C ATOM 1769 C VAL A 116 16.240 -5.396 18.074 1.00 0.19 C ATOM 1770 O VAL A 116 17.096 -4.738 17.515 1.00 0.24 O ATOM 1771 CB VAL A 116 15.438 -3.582 19.590 1.00 0.39 C ATOM 1772 CG1 VAL A 116 14.251 -3.298 18.677 1.00 0.48 C ATOM 1773 CG2 VAL A 116 15.071 -3.230 21.034 1.00 1.07 C ATOM 0 H VAL A 116 17.421 -4.580 20.801 1.00 0.45 H new ATOM 0 HA VAL A 116 14.922 -5.672 19.758 1.00 0.34 H new ATOM 0 HB VAL A 116 16.291 -2.980 19.278 1.00 0.39 H new ATOM 0 HG11 VAL A 116 13.992 -2.241 18.735 1.00 0.48 H new ATOM 0 HG12 VAL A 116 14.513 -3.552 17.650 1.00 0.48 H new ATOM 0 HG13 VAL A 116 13.398 -3.898 18.992 1.00 0.48 H new ATOM 0 HG21 VAL A 116 14.817 -2.172 21.097 1.00 1.07 H new ATOM 0 HG22 VAL A 116 14.215 -3.828 21.348 1.00 1.07 H new ATOM 0 HG23 VAL A 116 15.919 -3.439 21.686 1.00 1.07 H new ATOM 1783 N LEU A 117 15.660 -6.401 17.477 1.00 0.15 N ATOM 1784 CA LEU A 117 16.040 -6.762 16.081 1.00 0.18 C ATOM 1785 C LEU A 117 15.761 -5.583 15.144 1.00 0.18 C ATOM 1786 O LEU A 117 16.543 -5.285 14.262 1.00 0.32 O ATOM 1787 CB LEU A 117 15.221 -7.969 15.612 1.00 0.28 C ATOM 1788 CG LEU A 117 15.571 -9.191 16.459 1.00 0.18 C ATOM 1789 CD1 LEU A 117 14.444 -10.221 16.356 1.00 0.23 C ATOM 1790 CD2 LEU A 117 16.873 -9.811 15.947 1.00 0.16 C ATOM 0 H LEU A 117 14.939 -6.988 17.896 1.00 0.15 H new ATOM 0 HA LEU A 117 17.102 -7.007 16.061 1.00 0.18 H new ATOM 0 HB2 LEU A 117 14.156 -7.751 15.693 1.00 0.28 H new ATOM 0 HB3 LEU A 117 15.425 -8.173 14.561 1.00 0.28 H new ATOM 0 HG LEU A 117 15.696 -8.889 17.499 1.00 0.18 H new ATOM 0 HD11 LEU A 117 14.692 -11.094 16.960 1.00 0.23 H new ATOM 0 HD12 LEU A 117 13.515 -9.781 16.719 1.00 0.23 H new ATOM 0 HD13 LEU A 117 14.321 -10.523 15.316 1.00 0.23 H new ATOM 0 HD21 LEU A 117 17.123 -10.683 16.551 1.00 0.16 H new ATOM 0 HD22 LEU A 117 16.748 -10.114 14.907 1.00 0.16 H new ATOM 0 HD23 LEU A 117 17.677 -9.078 16.017 1.00 0.16 H new ATOM 1802 N ALA A 118 14.651 -4.910 15.316 1.00 0.16 N ATOM 1803 CA ALA A 118 14.338 -3.764 14.420 1.00 0.22 C ATOM 1804 C ALA A 118 13.468 -2.756 15.166 1.00 0.32 C ATOM 1805 O ALA A 118 13.074 -2.976 16.293 1.00 0.69 O ATOM 1806 CB ALA A 118 13.586 -4.270 13.189 1.00 0.17 C ATOM 0 H ALA A 118 13.954 -5.106 16.035 1.00 0.16 H new ATOM 0 HA ALA A 118 15.266 -3.284 14.109 1.00 0.22 H new ATOM 0 HB1 ALA A 118 13.357 -3.431 12.532 1.00 0.17 H new ATOM 0 HB2 ALA A 118 14.206 -4.990 12.655 1.00 0.17 H new ATOM 0 HB3 ALA A 118 12.659 -4.751 13.501 1.00 0.17 H new ATOM 1812 N CYS A 119 13.163 -1.651 14.553 1.00 0.13 N ATOM 1813 CA CYS A 119 12.325 -0.640 15.244 1.00 0.15 C ATOM 1814 C CYS A 119 11.784 0.357 14.205 1.00 0.15 C ATOM 1815 O CYS A 119 12.373 0.548 13.159 1.00 0.31 O ATOM 1816 CB CYS A 119 13.190 0.080 16.284 1.00 0.34 C ATOM 1817 SG CYS A 119 12.172 1.229 17.239 1.00 0.57 S ATOM 0 H CYS A 119 13.456 -1.405 13.608 1.00 0.13 H new ATOM 0 HA CYS A 119 11.481 -1.114 15.746 1.00 0.15 H new ATOM 0 HB2 CYS A 119 13.655 -0.647 16.949 1.00 0.34 H new ATOM 0 HB3 CYS A 119 13.997 0.620 15.788 1.00 0.34 H new ATOM 1822 N ALA A 120 10.664 0.985 14.470 1.00 0.11 N ATOM 1823 CA ALA A 120 10.098 1.953 13.482 1.00 0.15 C ATOM 1824 C ALA A 120 9.303 3.047 14.203 1.00 0.14 C ATOM 1825 O ALA A 120 8.801 2.851 15.292 1.00 0.15 O ATOM 1826 CB ALA A 120 9.171 1.223 12.510 1.00 0.32 C ATOM 0 H ALA A 120 10.120 0.869 15.325 1.00 0.11 H new ATOM 0 HA ALA A 120 10.923 2.408 12.934 1.00 0.15 H new ATOM 0 HB1 ALA A 120 8.762 1.935 11.793 1.00 0.32 H new ATOM 0 HB2 ALA A 120 9.733 0.455 11.979 1.00 0.32 H new ATOM 0 HB3 ALA A 120 8.356 0.758 13.064 1.00 0.32 H new ATOM 1832 N ILE A 121 9.177 4.196 13.594 1.00 0.23 N ATOM 1833 CA ILE A 121 8.408 5.304 14.224 1.00 0.32 C ATOM 1834 C ILE A 121 7.419 5.869 13.201 1.00 0.45 C ATOM 1835 O ILE A 121 7.730 6.014 12.042 1.00 0.91 O ATOM 1836 CB ILE A 121 9.373 6.412 14.654 1.00 0.56 C ATOM 1837 CG1 ILE A 121 10.280 5.899 15.774 1.00 0.70 C ATOM 1838 CG2 ILE A 121 8.580 7.616 15.157 1.00 0.48 C ATOM 1839 CD1 ILE A 121 11.281 6.992 16.159 1.00 1.01 C ATOM 0 H ILE A 121 9.577 4.414 12.681 1.00 0.23 H new ATOM 0 HA ILE A 121 7.870 4.930 15.095 1.00 0.32 H new ATOM 0 HB ILE A 121 9.982 6.708 13.800 1.00 0.56 H new ATOM 0 HG12 ILE A 121 9.682 5.617 16.640 1.00 0.70 H new ATOM 0 HG13 ILE A 121 10.810 5.004 15.447 1.00 0.70 H new ATOM 0 HG21 ILE A 121 9.269 8.403 15.463 1.00 0.48 H new ATOM 0 HG22 ILE A 121 7.936 7.987 14.359 1.00 0.48 H new ATOM 0 HG23 ILE A 121 7.968 7.319 16.009 1.00 0.48 H new ATOM 0 HD11 ILE A 121 11.928 6.628 16.957 1.00 1.01 H new ATOM 0 HD12 ILE A 121 11.887 7.253 15.291 1.00 1.01 H new ATOM 0 HD13 ILE A 121 10.742 7.874 16.503 1.00 1.01 H new ATOM 1851 N ALA A 122 6.230 6.201 13.611 1.00 0.31 N ATOM 1852 CA ALA A 122 5.252 6.765 12.637 1.00 0.39 C ATOM 1853 C ALA A 122 4.842 8.166 13.096 1.00 0.57 C ATOM 1854 O ALA A 122 4.757 8.439 14.277 1.00 0.51 O ATOM 1855 CB ALA A 122 4.018 5.864 12.563 1.00 0.36 C ATOM 0 H ALA A 122 5.892 6.109 14.569 1.00 0.31 H new ATOM 0 HA ALA A 122 5.709 6.821 11.649 1.00 0.39 H new ATOM 0 HB1 ALA A 122 3.306 6.280 11.850 1.00 0.36 H new ATOM 0 HB2 ALA A 122 4.315 4.866 12.239 1.00 0.36 H new ATOM 0 HB3 ALA A 122 3.553 5.803 13.547 1.00 0.36 H new ATOM 1861 N THR A 123 4.593 9.060 12.178 1.00 0.80 N ATOM 1862 CA THR A 123 4.198 10.440 12.583 1.00 0.98 C ATOM 1863 C THR A 123 2.993 10.897 11.755 1.00 1.03 C ATOM 1864 O THR A 123 2.600 10.254 10.803 1.00 2.70 O ATOM 1865 CB THR A 123 5.374 11.392 12.349 1.00 0.83 C ATOM 1866 OG1 THR A 123 6.368 10.731 11.578 1.00 0.96 O ATOM 1867 CG2 THR A 123 5.963 11.809 13.697 1.00 1.72 C ATOM 0 H THR A 123 4.645 8.897 11.172 1.00 0.80 H new ATOM 0 HA THR A 123 3.928 10.446 13.639 1.00 0.98 H new ATOM 0 HB THR A 123 5.030 12.277 11.814 1.00 0.83 H new ATOM 0 HG1 THR A 123 7.121 11.339 11.425 1.00 0.96 H new ATOM 0 HG21 THR A 123 6.801 12.487 13.534 1.00 1.72 H new ATOM 0 HG22 THR A 123 5.198 12.313 14.288 1.00 1.72 H new ATOM 0 HG23 THR A 123 6.311 10.925 14.231 1.00 1.72 H new ATOM 1875 N HIS A 124 2.404 12.005 12.116 1.00 1.34 N ATOM 1876 CA HIS A 124 1.223 12.512 11.358 1.00 1.02 C ATOM 1877 C HIS A 124 0.061 11.526 11.489 1.00 1.26 C ATOM 1878 O HIS A 124 -0.657 11.270 10.542 1.00 2.42 O ATOM 1879 CB HIS A 124 1.589 12.667 9.881 1.00 0.70 C ATOM 1880 CG HIS A 124 2.980 13.224 9.758 1.00 1.45 C ATOM 1881 ND1 HIS A 124 4.037 12.473 9.265 1.00 2.71 N ATOM 1882 CD2 HIS A 124 3.504 14.459 10.052 1.00 2.41 C ATOM 1883 CE1 HIS A 124 5.132 13.255 9.277 1.00 4.00 C ATOM 1884 NE2 HIS A 124 4.862 14.477 9.747 1.00 3.80 N ATOM 0 H HIS A 124 2.691 12.583 12.906 1.00 1.34 H new ATOM 0 HA HIS A 124 0.926 13.479 11.765 1.00 1.02 H new ATOM 0 HB2 HIS A 124 1.528 11.702 9.378 1.00 0.70 H new ATOM 0 HB3 HIS A 124 0.877 13.329 9.388 1.00 0.70 H new ATOM 0 HD2 HIS A 124 2.947 15.290 10.458 1.00 2.41 H new ATOM 0 HE1 HIS A 124 6.109 12.935 8.947 1.00 4.00 H new ATOM 0 HE2 HIS A 124 5.512 15.255 9.858 1.00 3.80 H new ATOM 1892 N GLY A 125 -0.138 10.977 12.655 1.00 0.32 N ATOM 1893 CA GLY A 125 -1.260 10.017 12.842 1.00 0.58 C ATOM 1894 C GLY A 125 -2.318 10.648 13.743 1.00 0.45 C ATOM 1895 O GLY A 125 -2.061 11.610 14.430 1.00 0.33 O ATOM 0 H GLY A 125 0.428 11.152 13.486 1.00 0.32 H new ATOM 0 HA2 GLY A 125 -1.696 9.756 11.877 1.00 0.58 H new ATOM 0 HA3 GLY A 125 -0.892 9.092 13.286 1.00 0.58 H new ATOM 1899 N LYS A 126 -3.504 10.117 13.745 1.00 0.50 N ATOM 1900 CA LYS A 126 -4.578 10.680 14.613 1.00 0.40 C ATOM 1901 C LYS A 126 -5.524 9.545 15.019 1.00 0.41 C ATOM 1902 O LYS A 126 -5.879 8.718 14.204 1.00 0.51 O ATOM 1903 CB LYS A 126 -5.363 11.734 13.836 1.00 0.49 C ATOM 1904 CG LYS A 126 -6.417 12.356 14.750 1.00 2.73 C ATOM 1905 CD LYS A 126 -6.733 13.772 14.270 1.00 2.07 C ATOM 1906 CE LYS A 126 -8.247 13.937 14.145 1.00 4.31 C ATOM 1907 NZ LYS A 126 -8.561 15.347 13.782 1.00 3.70 N ATOM 0 H LYS A 126 -3.781 9.313 13.181 1.00 0.50 H new ATOM 0 HA LYS A 126 -4.137 11.139 15.498 1.00 0.40 H new ATOM 0 HB2 LYS A 126 -4.688 12.505 13.463 1.00 0.49 H new ATOM 0 HB3 LYS A 126 -5.841 11.281 12.967 1.00 0.49 H new ATOM 0 HG2 LYS A 126 -7.322 11.748 14.746 1.00 2.73 H new ATOM 0 HG3 LYS A 126 -6.054 12.381 15.778 1.00 2.73 H new ATOM 0 HD2 LYS A 126 -6.333 14.504 14.971 1.00 2.07 H new ATOM 0 HD3 LYS A 126 -6.255 13.957 13.308 1.00 2.07 H new ATOM 0 HE2 LYS A 126 -8.637 13.259 13.386 1.00 4.31 H new ATOM 0 HE3 LYS A 126 -8.732 13.675 15.086 1.00 4.31 H new ATOM 0 HZ1 LYS A 126 -9.591 15.462 13.696 1.00 3.70 H new ATOM 0 HZ2 LYS A 126 -8.202 15.984 14.521 1.00 3.70 H new ATOM 0 HZ3 LYS A 126 -8.110 15.581 12.875 1.00 3.70 H new ATOM 1921 N ILE A 127 -5.944 9.484 16.255 1.00 0.32 N ATOM 1922 CA ILE A 127 -6.864 8.381 16.652 1.00 0.33 C ATOM 1923 C ILE A 127 -8.285 8.913 16.821 1.00 0.34 C ATOM 1924 O ILE A 127 -8.505 9.986 17.350 1.00 0.34 O ATOM 1925 CB ILE A 127 -6.401 7.763 17.966 1.00 0.27 C ATOM 1926 CG1 ILE A 127 -5.121 6.971 17.724 1.00 0.33 C ATOM 1927 CG2 ILE A 127 -7.485 6.817 18.477 1.00 0.28 C ATOM 1928 CD1 ILE A 127 -4.608 6.413 19.053 1.00 0.37 C ATOM 0 H ILE A 127 -5.694 10.139 16.996 1.00 0.32 H new ATOM 0 HA ILE A 127 -6.853 7.623 15.868 1.00 0.33 H new ATOM 0 HB ILE A 127 -6.215 8.547 18.700 1.00 0.27 H new ATOM 0 HG12 ILE A 127 -5.311 6.157 17.025 1.00 0.33 H new ATOM 0 HG13 ILE A 127 -4.365 7.611 17.270 1.00 0.33 H new ATOM 0 HG21 ILE A 127 -7.163 6.369 19.417 1.00 0.28 H new ATOM 0 HG22 ILE A 127 -8.408 7.374 18.637 1.00 0.28 H new ATOM 0 HG23 ILE A 127 -7.658 6.031 17.742 1.00 0.28 H new ATOM 0 HD11 ILE A 127 -3.693 5.847 18.881 1.00 0.37 H new ATOM 0 HD12 ILE A 127 -4.402 7.236 19.738 1.00 0.37 H new ATOM 0 HD13 ILE A 127 -5.363 5.759 19.489 1.00 0.37 H new ATOM 1940 N ARG A 128 -9.254 8.161 16.378 1.00 0.38 N ATOM 1941 CA ARG A 128 -10.670 8.603 16.510 1.00 0.41 C ATOM 1942 C ARG A 128 -11.513 7.441 17.039 1.00 0.37 C ATOM 1943 O ARG A 128 -11.112 6.295 16.988 1.00 0.56 O ATOM 1944 CB ARG A 128 -11.209 9.030 15.144 1.00 0.54 C ATOM 1945 CG ARG A 128 -10.711 10.437 14.814 1.00 0.49 C ATOM 1946 CD ARG A 128 -11.784 11.196 14.029 1.00 0.76 C ATOM 1947 NE ARG A 128 -12.738 10.227 13.418 1.00 2.38 N ATOM 1948 CZ ARG A 128 -14.023 10.397 13.568 1.00 3.40 C ATOM 1949 NH1 ARG A 128 -14.526 10.540 14.763 1.00 4.74 N ATOM 1950 NH2 ARG A 128 -14.806 10.426 12.525 1.00 3.21 N ATOM 0 H ARG A 128 -9.125 7.255 15.928 1.00 0.38 H new ATOM 0 HA ARG A 128 -10.721 9.446 17.200 1.00 0.41 H new ATOM 0 HB2 ARG A 128 -10.882 8.328 14.377 1.00 0.54 H new ATOM 0 HB3 ARG A 128 -12.299 9.011 15.149 1.00 0.54 H new ATOM 0 HG2 ARG A 128 -10.472 10.973 15.733 1.00 0.49 H new ATOM 0 HG3 ARG A 128 -9.792 10.380 14.230 1.00 0.49 H new ATOM 0 HD2 ARG A 128 -12.318 11.879 14.690 1.00 0.76 H new ATOM 0 HD3 ARG A 128 -11.319 11.803 13.252 1.00 0.76 H new ATOM 0 HE ARG A 128 -12.387 9.432 12.884 1.00 2.38 H new ATOM 0 HH11 ARG A 128 -13.915 10.519 15.579 1.00 4.74 H new ATOM 0 HH12 ARG A 128 -15.530 10.673 14.881 1.00 4.74 H new ATOM 0 HH21 ARG A 128 -14.414 10.316 11.590 1.00 3.21 H new ATOM 0 HH22 ARG A 128 -15.810 10.559 12.645 1.00 3.21 H new ATOM 1964 N ASP A 129 -12.684 7.726 17.537 1.00 0.48 N ATOM 1965 CA ASP A 129 -13.553 6.635 18.058 1.00 0.40 C ATOM 1966 C ASP A 129 -14.812 6.537 17.192 1.00 1.15 C ATOM 1967 O ASP A 129 -14.708 6.041 16.082 1.00 0.86 O ATOM 1968 CB ASP A 129 -13.956 6.940 19.500 1.00 0.79 C ATOM 1969 CG ASP A 129 -12.707 7.230 20.332 1.00 3.01 C ATOM 1970 OD1 ASP A 129 -11.628 6.863 19.894 1.00 4.93 O ATOM 1971 OD2 ASP A 129 -12.848 7.815 21.393 1.00 3.41 O ATOM 1972 OXT ASP A 129 -15.860 6.961 17.653 1.00 2.50 O ATOM 0 H ASP A 129 -13.076 8.665 17.606 1.00 0.48 H new ATOM 0 HA ASP A 129 -13.007 5.692 18.027 1.00 0.40 H new ATOM 0 HB2 ASP A 129 -14.630 7.797 19.526 1.00 0.79 H new ATOM 0 HB3 ASP A 129 -14.499 6.095 19.923 1.00 0.79 H new