USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl 161:sc=-0.00039 (180deg=-0.635) USER MOD Set 2.2: A 49 MET CE :methyl 173:sc= -3.16! (180deg=-3.21!) USER MOD Single : A 14 ASN : amide:sc= 1.21 K(o=1.2,f=-0.27) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 66:sc= 1.12 USER MOD Single : A 19 TYR OH : rot 31:sc= 1.29 USER MOD Single : A 26 SER OG : rot 86:sc= -1.15! USER MOD Single : A 28 ASN : amide:sc= 0.894 K(o=0.89,f=-0.0084) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0198 K(o=-0.02,f=-2.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.156 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.695) USER MOD Single : A 55 MET CE :methyl -116:sc= 0 (180deg=-1.55!) USER MOD Single : A 56 ASN : amide:sc= 0.116 K(o=0.12,f=-3.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.177 USER MOD Single : A 62 THR OG1 : rot 30:sc= 0.976 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.18) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.18) USER MOD Single : A 80 THR OG1 : rot -70:sc= -1.26 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.694 -1.011 0.824 1.00 0.88 N ATOM 50 CA ASN A 14 10.610 -0.419 1.600 1.00 0.81 C ATOM 51 C ASN A 14 9.319 -0.343 0.797 1.00 0.64 C ATOM 52 O ASN A 14 8.299 -0.903 1.200 1.00 0.66 O ATOM 53 CB ASN A 14 11.013 0.979 2.067 1.00 0.96 C ATOM 54 CG ASN A 14 10.638 1.254 3.514 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.626 0.765 4.014 1.00 2.24 O ATOM 56 ND2 ASN A 14 11.458 2.044 4.197 1.00 2.24 N ATOM 0 HA ASN A 14 10.428 -1.059 2.463 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.090 1.099 1.948 1.00 0.96 H new ATOM 0 HB3 ASN A 14 10.536 1.721 1.427 1.00 0.96 H new ATOM 0 HD21 ASN A 14 11.258 2.265 5.173 1.00 2.24 H new ATOM 0 HD22 ASN A 14 12.288 2.430 3.746 1.00 2.24 H new ATOM 63 N LEU A 15 9.358 0.359 -0.331 1.00 0.56 N ATOM 64 CA LEU A 15 8.173 0.506 -1.169 1.00 0.48 C ATOM 65 C LEU A 15 7.706 -0.838 -1.709 1.00 0.37 C ATOM 66 O LEU A 15 6.501 -1.087 -1.805 1.00 0.33 O ATOM 67 CB LEU A 15 8.442 1.481 -2.316 1.00 0.58 C ATOM 68 CG LEU A 15 7.267 2.393 -2.662 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.746 3.812 -2.909 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.518 1.863 -3.875 1.00 0.60 C ATOM 0 H LEU A 15 10.190 0.832 -0.684 1.00 0.56 H new ATOM 0 HA LEU A 15 7.375 0.912 -0.548 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.301 2.099 -2.056 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.716 0.911 -3.204 1.00 0.58 H new ATOM 0 HG LEU A 15 6.582 2.406 -1.814 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.894 4.446 -3.154 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.235 4.192 -2.012 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.453 3.818 -3.738 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.684 2.526 -4.106 1.00 0.60 H new ATOM 0 HD22 LEU A 15 7.194 1.818 -4.729 1.00 0.60 H new ATOM 0 HD23 LEU A 15 6.138 0.864 -3.660 1.00 0.60 H new ATOM 82 N ARG A 16 8.649 -1.719 -2.032 1.00 0.36 N ATOM 83 CA ARG A 16 8.300 -3.044 -2.532 1.00 0.33 C ATOM 84 C ARG A 16 7.565 -3.821 -1.448 1.00 0.27 C ATOM 85 O ARG A 16 6.595 -4.528 -1.722 1.00 0.28 O ATOM 86 CB ARG A 16 9.539 -3.809 -2.983 1.00 0.40 C ATOM 87 CG ARG A 16 9.241 -4.887 -4.016 1.00 0.65 C ATOM 88 CD ARG A 16 10.259 -6.011 -3.963 1.00 1.29 C ATOM 89 NE ARG A 16 9.696 -7.225 -3.382 1.00 2.05 N ATOM 90 CZ ARG A 16 10.414 -8.282 -3.021 1.00 2.78 C ATOM 91 NH1 ARG A 16 11.727 -8.289 -3.211 1.00 3.11 N ATOM 92 NH2 ARG A 16 9.818 -9.339 -2.482 1.00 3.67 N ATOM 0 H ARG A 16 9.651 -1.542 -1.957 1.00 0.36 H new ATOM 0 HA ARG A 16 7.650 -2.926 -3.399 1.00 0.33 H new ATOM 0 HB2 ARG A 16 10.259 -3.105 -3.400 1.00 0.40 H new ATOM 0 HB3 ARG A 16 10.009 -4.269 -2.114 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.243 -5.291 -3.843 1.00 0.65 H new ATOM 0 HG3 ARG A 16 9.238 -4.445 -5.013 1.00 0.65 H new ATOM 0 HD2 ARG A 16 10.619 -6.223 -4.970 1.00 1.29 H new ATOM 0 HD3 ARG A 16 11.121 -5.693 -3.376 1.00 1.29 H new ATOM 0 HE ARG A 16 8.686 -7.264 -3.244 1.00 2.05 H new ATOM 0 HH11 ARG A 16 12.185 -7.482 -3.635 1.00 3.11 H new ATOM 0 HH12 ARG A 16 12.278 -9.101 -2.934 1.00 3.11 H new ATOM 0 HH21 ARG A 16 8.807 -9.340 -2.345 1.00 3.67 H new ATOM 0 HH22 ARG A 16 10.371 -10.150 -2.205 1.00 3.67 H new ATOM 106 N MET A 17 8.011 -3.647 -0.207 1.00 0.28 N ATOM 107 CA MET A 17 7.379 -4.304 0.929 1.00 0.32 C ATOM 108 C MET A 17 6.012 -3.686 1.197 1.00 0.25 C ATOM 109 O MET A 17 5.091 -4.373 1.616 1.00 0.27 O ATOM 110 CB MET A 17 8.248 -4.192 2.190 1.00 0.45 C ATOM 111 CG MET A 17 8.624 -5.542 2.792 1.00 0.81 C ATOM 112 SD MET A 17 7.421 -6.126 4.006 1.00 1.96 S ATOM 113 CE MET A 17 6.756 -7.551 3.145 1.00 2.93 C ATOM 0 H MET A 17 8.807 -3.057 0.036 1.00 0.28 H new ATOM 0 HA MET A 17 7.262 -5.359 0.682 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.159 -3.645 1.946 1.00 0.45 H new ATOM 0 HB3 MET A 17 7.715 -3.605 2.938 1.00 0.45 H new ATOM 0 HG2 MET A 17 8.714 -6.278 1.993 1.00 0.81 H new ATOM 0 HG3 MET A 17 9.603 -5.464 3.266 1.00 0.81 H new ATOM 0 HE1 MET A 17 5.995 -8.027 3.763 1.00 2.93 H new ATOM 0 HE2 MET A 17 6.310 -7.232 2.203 1.00 2.93 H new ATOM 0 HE3 MET A 17 7.558 -8.262 2.944 1.00 2.93 H new ATOM 123 N THR A 18 5.889 -2.389 0.938 1.00 0.21 N ATOM 124 CA THR A 18 4.634 -1.676 1.135 1.00 0.20 C ATOM 125 C THR A 18 3.563 -2.229 0.203 1.00 0.19 C ATOM 126 O THR A 18 2.464 -2.577 0.635 1.00 0.23 O ATOM 127 CB THR A 18 4.807 -0.167 0.879 1.00 0.27 C ATOM 128 OG1 THR A 18 5.917 0.333 1.637 1.00 0.38 O ATOM 129 CG2 THR A 18 3.547 0.606 1.249 1.00 0.30 C ATOM 0 H THR A 18 6.650 -1.807 0.588 1.00 0.21 H new ATOM 0 HA THR A 18 4.327 -1.820 2.171 1.00 0.20 H new ATOM 0 HB THR A 18 4.995 -0.026 -0.186 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.748 -0.062 1.300 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.702 1.668 1.057 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.711 0.247 0.650 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.326 0.457 2.306 1.00 0.30 H new ATOM 137 N TYR A 19 3.905 -2.332 -1.072 1.00 0.21 N ATOM 138 CA TYR A 19 2.986 -2.859 -2.062 1.00 0.28 C ATOM 139 C TYR A 19 2.674 -4.337 -1.790 1.00 0.31 C ATOM 140 O TYR A 19 1.522 -4.766 -1.894 1.00 0.36 O ATOM 141 CB TYR A 19 3.578 -2.687 -3.467 1.00 0.35 C ATOM 142 CG TYR A 19 2.918 -3.547 -4.525 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.746 -3.132 -5.143 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.468 -4.765 -4.904 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.143 -3.900 -6.117 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.865 -5.544 -5.878 1.00 0.59 C ATOM 147 CZ TYR A 19 1.715 -5.147 -6.452 1.00 0.52 C ATOM 148 OH TYR A 19 1.098 -5.864 -7.453 1.00 0.61 O ATOM 0 H TYR A 19 4.814 -2.056 -1.443 1.00 0.21 H new ATOM 0 HA TYR A 19 2.052 -2.301 -1.998 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.493 -1.640 -3.760 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.641 -2.923 -3.433 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.299 -2.192 -4.856 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.377 -5.109 -4.433 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.249 -3.554 -6.615 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.321 -6.476 -6.178 1.00 0.59 H new ATOM 0 HH TYR A 19 0.688 -5.246 -8.094 1.00 0.61 H new ATOM 158 N GLU A 20 3.704 -5.112 -1.448 1.00 0.32 N ATOM 159 CA GLU A 20 3.526 -6.536 -1.183 1.00 0.40 C ATOM 160 C GLU A 20 2.727 -6.774 0.098 1.00 0.35 C ATOM 161 O GLU A 20 1.908 -7.696 0.156 1.00 0.35 O ATOM 162 CB GLU A 20 4.882 -7.247 -1.125 1.00 0.51 C ATOM 163 CG GLU A 20 5.088 -8.225 -2.267 1.00 1.21 C ATOM 164 CD GLU A 20 6.545 -8.413 -2.624 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.069 -7.620 -3.435 1.00 1.93 O ATOM 166 OE2 GLU A 20 7.186 -9.330 -2.075 1.00 2.35 O ATOM 0 H GLU A 20 4.663 -4.779 -1.349 1.00 0.32 H new ATOM 0 HA GLU A 20 2.951 -6.959 -2.007 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.678 -6.502 -1.144 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.966 -7.780 -0.178 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.658 -9.189 -1.995 1.00 1.21 H new ATOM 0 HG3 GLU A 20 4.547 -7.871 -3.144 1.00 1.21 H new ATOM 173 N ARG A 21 2.943 -5.942 1.112 1.00 0.33 N ATOM 174 CA ARG A 21 2.209 -6.074 2.365 1.00 0.32 C ATOM 175 C ARG A 21 0.738 -5.762 2.131 1.00 0.26 C ATOM 176 O ARG A 21 -0.143 -6.373 2.725 1.00 0.29 O ATOM 177 CB ARG A 21 2.768 -5.123 3.424 1.00 0.34 C ATOM 178 CG ARG A 21 2.640 -5.646 4.841 1.00 0.48 C ATOM 179 CD ARG A 21 3.992 -5.723 5.527 1.00 0.87 C ATOM 180 NE ARG A 21 4.160 -4.680 6.543 1.00 1.73 N ATOM 181 CZ ARG A 21 5.222 -4.583 7.351 1.00 2.60 C ATOM 182 NH1 ARG A 21 6.199 -5.481 7.276 1.00 2.99 N ATOM 183 NH2 ARG A 21 5.300 -3.607 8.244 1.00 3.57 N ATOM 0 H ARG A 21 3.615 -5.175 1.091 1.00 0.33 H new ATOM 0 HA ARG A 21 2.318 -7.098 2.723 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.820 -4.933 3.210 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.250 -4.167 3.351 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.977 -4.996 5.412 1.00 0.48 H new ATOM 0 HG3 ARG A 21 2.181 -6.635 4.826 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.106 -6.702 5.992 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.781 -5.631 4.781 1.00 0.87 H new ATOM 0 HE ARG A 21 3.421 -3.984 6.640 1.00 1.73 H new ATOM 0 HH11 ARG A 21 6.139 -6.244 6.602 1.00 2.99 H new ATOM 0 HH12 ARG A 21 7.008 -5.407 7.892 1.00 2.99 H new ATOM 0 HH21 ARG A 21 4.547 -2.923 8.319 1.00 3.57 H new ATOM 0 HH22 ARG A 21 6.113 -3.540 8.856 1.00 3.57 H new ATOM 197 N LEU A 22 0.490 -4.819 1.225 1.00 0.22 N ATOM 198 CA LEU A 22 -0.860 -4.427 0.862 1.00 0.20 C ATOM 199 C LEU A 22 -1.529 -5.552 0.100 1.00 0.23 C ATOM 200 O LEU A 22 -2.713 -5.816 0.273 1.00 0.24 O ATOM 201 CB LEU A 22 -0.819 -3.189 -0.022 1.00 0.22 C ATOM 202 CG LEU A 22 -0.969 -1.866 0.691 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.212 -0.780 -0.056 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.439 -1.518 0.821 1.00 0.33 C ATOM 0 H LEU A 22 1.220 -4.310 0.726 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.421 -4.210 1.771 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.127 -3.183 -0.563 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.611 -3.271 -0.766 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.545 -1.944 1.692 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.327 0.169 0.467 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.845 -1.041 -0.105 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.610 -0.688 -1.066 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.543 -0.563 1.336 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.885 -1.446 -0.171 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.948 -2.295 1.392 1.00 0.33 H new ATOM 216 N ARG A 23 -0.753 -6.214 -0.743 1.00 0.27 N ATOM 217 CA ARG A 23 -1.255 -7.313 -1.553 1.00 0.32 C ATOM 218 C ARG A 23 -1.677 -8.490 -0.683 1.00 0.31 C ATOM 219 O ARG A 23 -2.760 -9.060 -0.868 1.00 0.34 O ATOM 220 CB ARG A 23 -0.174 -7.756 -2.536 1.00 0.39 C ATOM 221 CG ARG A 23 -0.522 -9.020 -3.304 1.00 0.82 C ATOM 222 CD ARG A 23 0.136 -9.038 -4.675 1.00 1.40 C ATOM 223 NE ARG A 23 -0.656 -9.790 -5.653 1.00 1.98 N ATOM 224 CZ ARG A 23 -1.175 -9.269 -6.768 1.00 2.61 C ATOM 225 NH1 ARG A 23 -0.939 -8.003 -7.085 1.00 3.01 N ATOM 226 NH2 ARG A 23 -1.912 -10.028 -7.571 1.00 3.33 N ATOM 0 H ARG A 23 0.236 -6.007 -0.885 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.132 -6.966 -2.100 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.010 -6.950 -3.246 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.755 -7.918 -1.990 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -0.202 -9.893 -2.734 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.604 -9.092 -3.417 1.00 0.82 H new ATOM 0 HD2 ARG A 23 0.270 -8.015 -5.026 1.00 1.40 H new ATOM 0 HD3 ARG A 23 1.129 -9.480 -4.595 1.00 1.40 H new ATOM 0 HE ARG A 23 -0.822 -10.779 -5.469 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -0.360 -7.424 -6.477 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -1.337 -7.608 -7.937 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -2.080 -11.006 -7.336 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -2.310 -9.633 -8.423 1.00 3.33 H new ATOM 240 N GLU A 24 -0.829 -8.842 0.280 1.00 0.31 N ATOM 241 CA GLU A 24 -1.129 -9.939 1.183 1.00 0.33 C ATOM 242 C GLU A 24 -2.290 -9.556 2.090 1.00 0.28 C ATOM 243 O GLU A 24 -3.120 -10.393 2.438 1.00 0.30 O ATOM 244 CB GLU A 24 0.096 -10.297 2.026 1.00 0.38 C ATOM 245 CG GLU A 24 0.007 -11.650 2.703 1.00 0.61 C ATOM 246 CD GLU A 24 -0.080 -11.534 4.211 1.00 1.63 C ATOM 247 OE1 GLU A 24 0.895 -11.050 4.823 1.00 2.24 O ATOM 248 OE2 GLU A 24 -1.112 -11.921 4.792 1.00 2.36 O ATOM 0 H GLU A 24 0.066 -8.383 0.451 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.405 -10.811 0.590 1.00 0.33 H new ATOM 0 HB2 GLU A 24 0.980 -10.279 1.389 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.236 -9.530 2.788 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.868 -12.183 2.331 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.880 -12.245 2.436 1.00 0.61 H new ATOM 255 N LEU A 25 -2.350 -8.281 2.459 1.00 0.24 N ATOM 256 CA LEU A 25 -3.416 -7.794 3.320 1.00 0.22 C ATOM 257 C LEU A 25 -4.744 -7.783 2.568 1.00 0.18 C ATOM 258 O LEU A 25 -5.790 -8.054 3.148 1.00 0.20 O ATOM 259 CB LEU A 25 -3.100 -6.393 3.853 1.00 0.22 C ATOM 260 CG LEU A 25 -3.441 -6.142 5.324 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.139 -4.800 5.468 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.277 -7.288 5.905 1.00 0.28 C ATOM 0 H LEU A 25 -1.675 -7.571 2.176 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.496 -8.471 4.170 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.036 -6.203 3.710 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.639 -5.665 3.246 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.516 -6.108 5.900 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.380 -4.626 6.517 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.482 -4.008 5.110 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.057 -4.803 4.881 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.503 -7.080 6.951 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.207 -7.380 5.344 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.716 -8.220 5.833 1.00 0.28 H new ATOM 274 N SER A 26 -4.695 -7.479 1.274 1.00 0.17 N ATOM 275 CA SER A 26 -5.905 -7.452 0.460 1.00 0.16 C ATOM 276 C SER A 26 -6.523 -8.847 0.395 1.00 0.19 C ATOM 277 O SER A 26 -7.743 -9.003 0.403 1.00 0.22 O ATOM 278 CB SER A 26 -5.604 -6.946 -0.957 1.00 0.19 C ATOM 279 OG SER A 26 -4.963 -5.688 -0.935 1.00 0.86 O ATOM 0 H SER A 26 -3.838 -7.250 0.771 1.00 0.17 H new ATOM 0 HA SER A 26 -6.613 -6.766 0.925 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.972 -7.668 -1.475 1.00 0.19 H new ATOM 0 HB3 SER A 26 -6.533 -6.872 -1.522 1.00 0.19 H new ATOM 0 HG SER A 26 -3.995 -5.815 -0.847 1.00 0.86 H new ATOM 285 N LEU A 27 -5.664 -9.862 0.352 1.00 0.23 N ATOM 286 CA LEU A 27 -6.118 -11.248 0.299 1.00 0.28 C ATOM 287 C LEU A 27 -6.553 -11.723 1.690 1.00 0.29 C ATOM 288 O LEU A 27 -7.485 -12.519 1.826 1.00 0.34 O ATOM 289 CB LEU A 27 -5.000 -12.151 -0.244 1.00 0.33 C ATOM 290 CG LEU A 27 -5.097 -12.496 -1.735 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.689 -11.304 -2.594 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.228 -13.707 -2.057 1.00 0.60 C ATOM 0 H LEU A 27 -4.650 -9.750 0.353 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.975 -11.307 -0.371 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -4.042 -11.663 -0.063 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.997 -13.080 0.327 1.00 0.33 H new ATOM 0 HG LEU A 27 -6.134 -12.741 -1.963 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.766 -11.572 -3.648 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.349 -10.462 -2.385 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.661 -11.025 -2.364 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.307 -13.940 -3.119 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.190 -13.486 -1.811 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.565 -14.563 -1.472 1.00 0.60 H new ATOM 304 N ASN A 28 -5.869 -11.216 2.715 1.00 0.28 N ATOM 305 CA ASN A 28 -6.162 -11.571 4.103 1.00 0.35 C ATOM 306 C ASN A 28 -7.482 -10.955 4.557 1.00 0.35 C ATOM 307 O ASN A 28 -8.410 -11.664 4.944 1.00 0.42 O ATOM 308 CB ASN A 28 -5.018 -11.101 5.016 1.00 0.41 C ATOM 309 CG ASN A 28 -4.680 -12.116 6.092 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.472 -12.371 7.003 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.483 -12.687 6.013 1.00 1.31 N ATOM 0 H ASN A 28 -5.102 -10.552 2.608 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.252 -12.655 4.169 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.131 -10.907 4.412 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.296 -10.157 5.485 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -3.192 -13.361 6.721 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -2.855 -12.451 5.245 1.00 1.31 H new ATOM 318 N LEU A 29 -7.567 -9.631 4.484 1.00 0.33 N ATOM 319 CA LEU A 29 -8.781 -8.915 4.870 1.00 0.38 C ATOM 320 C LEU A 29 -9.926 -9.308 3.958 1.00 0.40 C ATOM 321 O LEU A 29 -11.066 -9.465 4.401 1.00 0.49 O ATOM 322 CB LEU A 29 -8.589 -7.405 4.771 1.00 0.40 C ATOM 323 CG LEU A 29 -7.752 -6.770 5.873 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.424 -5.337 5.499 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.480 -6.823 7.208 1.00 0.39 C ATOM 0 H LEU A 29 -6.809 -9.030 4.161 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.004 -9.182 5.903 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.124 -7.179 3.811 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.571 -6.932 4.768 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.825 -7.333 5.979 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.825 -4.883 6.288 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.863 -5.324 4.565 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.348 -4.773 5.375 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.861 -6.363 7.978 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.423 -6.282 7.130 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.678 -7.861 7.474 1.00 0.39 H new ATOM 337 N GLY A 30 -9.601 -9.461 2.678 1.00 0.35 N ATOM 338 CA GLY A 30 -10.593 -9.829 1.695 1.00 0.43 C ATOM 339 C GLY A 30 -11.250 -11.150 2.027 1.00 0.53 C ATOM 340 O GLY A 30 -12.475 -11.239 2.080 1.00 0.65 O ATOM 0 H GLY A 30 -8.660 -9.335 2.306 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.353 -9.050 1.636 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.125 -9.893 0.713 1.00 0.43 H new ATOM 344 N ASN A 31 -10.442 -12.179 2.263 1.00 0.53 N ATOM 345 CA ASN A 31 -10.968 -13.496 2.600 1.00 0.66 C ATOM 346 C ASN A 31 -11.560 -13.512 4.018 1.00 0.71 C ATOM 347 O ASN A 31 -12.290 -14.434 4.385 1.00 0.84 O ATOM 348 CB ASN A 31 -9.867 -14.548 2.479 1.00 0.70 C ATOM 349 CG ASN A 31 -10.431 -15.942 2.281 1.00 1.17 C ATOM 350 OD1 ASN A 31 -10.663 -16.665 3.245 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.660 -16.327 1.032 1.00 1.52 N ATOM 0 H ASN A 31 -9.424 -12.126 2.227 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.767 -13.731 1.897 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.217 -14.298 1.640 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.249 -14.531 3.377 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -11.043 -17.254 0.846 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.453 -15.696 0.258 1.00 1.52 H new ATOM 358 N ARG A 32 -11.257 -12.479 4.801 1.00 0.66 N ATOM 359 CA ARG A 32 -11.763 -12.361 6.170 1.00 0.77 C ATOM 360 C ARG A 32 -13.111 -11.652 6.177 1.00 0.86 C ATOM 361 O ARG A 32 -13.773 -11.546 7.213 1.00 1.01 O ATOM 362 CB ARG A 32 -10.762 -11.599 7.032 1.00 0.76 C ATOM 363 CG ARG A 32 -10.666 -12.118 8.457 1.00 0.91 C ATOM 364 CD ARG A 32 -9.398 -11.629 9.142 1.00 1.14 C ATOM 365 NE ARG A 32 -8.416 -12.700 9.331 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.329 -13.465 10.426 1.00 2.75 C ATOM 367 NH1 ARG A 32 -9.188 -13.319 11.432 1.00 2.70 N ATOM 368 NH2 ARG A 32 -7.372 -14.381 10.518 1.00 3.82 N ATOM 0 H ARG A 32 -10.659 -11.706 4.510 1.00 0.66 H new ATOM 0 HA ARG A 32 -11.895 -13.361 6.583 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.778 -11.655 6.567 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.043 -10.546 7.056 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -11.537 -11.791 9.024 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.681 -13.208 8.451 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -8.952 -10.832 8.548 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -9.654 -11.200 10.111 1.00 1.14 H new ATOM 0 HE ARG A 32 -7.753 -12.875 8.576 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -9.925 -12.617 11.375 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -9.109 -13.909 12.260 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -6.705 -14.500 9.755 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -7.304 -14.965 11.351 1.00 3.82 H new ATOM 382 N MET A 33 -13.516 -11.199 5.007 1.00 0.83 N ATOM 383 CA MET A 33 -14.790 -10.535 4.846 1.00 0.96 C ATOM 384 C MET A 33 -15.815 -11.555 4.358 1.00 1.17 C ATOM 385 O MET A 33 -15.441 -12.647 3.920 1.00 1.55 O ATOM 386 CB MET A 33 -14.671 -9.364 3.857 1.00 0.80 C ATOM 387 CG MET A 33 -15.182 -8.050 4.420 1.00 0.95 C ATOM 388 SD MET A 33 -13.940 -6.743 4.426 1.00 1.18 S ATOM 389 CE MET A 33 -14.778 -5.491 3.445 1.00 1.84 C ATOM 0 H MET A 33 -12.973 -11.281 4.147 1.00 0.83 H new ATOM 0 HA MET A 33 -15.112 -10.124 5.803 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.627 -9.246 3.568 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.227 -9.604 2.951 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.041 -7.722 3.835 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.533 -8.212 5.439 1.00 0.95 H new ATOM 0 HE1 MET A 33 -14.139 -4.613 3.354 1.00 1.84 H new ATOM 0 HE2 MET A 33 -14.992 -5.889 2.453 1.00 1.84 H new ATOM 0 HE3 MET A 33 -15.712 -5.211 3.933 1.00 1.84 H new ATOM 399 N VAL A 34 -17.093 -11.209 4.442 1.00 1.22 N ATOM 400 CA VAL A 34 -18.165 -12.097 4.004 1.00 1.41 C ATOM 401 C VAL A 34 -19.175 -11.320 3.161 1.00 1.54 C ATOM 402 O VAL A 34 -19.864 -10.432 3.671 1.00 1.66 O ATOM 403 CB VAL A 34 -18.885 -12.767 5.194 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.081 -13.574 4.712 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.922 -13.656 5.954 1.00 1.64 C ATOM 0 H VAL A 34 -17.415 -10.314 4.812 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.711 -12.886 3.404 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.246 -11.986 5.864 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.575 -14.038 5.566 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.783 -12.915 4.201 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.744 -14.348 4.023 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.441 -14.123 6.791 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.538 -14.429 5.288 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.093 -13.056 6.330 1.00 1.64 H new ATOM 415 N PRO A 35 -19.269 -11.630 1.855 1.00 1.58 N ATOM 416 CA PRO A 35 -18.459 -12.678 1.223 1.00 1.51 C ATOM 417 C PRO A 35 -17.008 -12.246 1.024 1.00 1.32 C ATOM 418 O PRO A 35 -16.719 -11.048 0.962 1.00 1.30 O ATOM 419 CB PRO A 35 -19.150 -12.894 -0.123 1.00 1.71 C ATOM 420 CG PRO A 35 -19.836 -11.607 -0.427 1.00 1.86 C ATOM 421 CD PRO A 35 -20.184 -10.976 0.894 1.00 1.75 C ATOM 0 HA PRO A 35 -18.402 -13.579 1.834 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -18.428 -13.147 -0.899 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -19.863 -13.717 -0.071 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.188 -10.952 -1.009 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -20.733 -11.778 -1.022 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.035 -9.896 0.872 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.228 -11.148 1.156 1.00 1.75 H new ATOM 429 N PRO A 36 -16.072 -13.209 0.934 1.00 1.22 N ATOM 430 CA PRO A 36 -14.650 -12.906 0.759 1.00 1.08 C ATOM 431 C PRO A 36 -14.381 -12.105 -0.508 1.00 1.17 C ATOM 432 O PRO A 36 -14.836 -12.464 -1.595 1.00 1.42 O ATOM 433 CB PRO A 36 -13.978 -14.274 0.686 1.00 1.12 C ATOM 434 CG PRO A 36 -15.074 -15.243 0.396 1.00 1.14 C ATOM 435 CD PRO A 36 -16.319 -14.661 1.003 1.00 1.27 C ATOM 0 HA PRO A 36 -14.271 -12.288 1.573 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -13.218 -14.296 -0.095 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.478 -14.516 1.624 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.194 -15.385 -0.678 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -14.853 -16.221 0.824 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.211 -14.946 0.446 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -16.463 -14.998 2.030 1.00 1.27 H new ATOM 443 N VAL A 37 -13.644 -11.013 -0.354 1.00 0.99 N ATOM 444 CA VAL A 37 -13.311 -10.143 -1.463 1.00 1.08 C ATOM 445 C VAL A 37 -12.037 -10.604 -2.147 1.00 1.24 C ATOM 446 O VAL A 37 -10.973 -10.659 -1.527 1.00 2.02 O ATOM 447 CB VAL A 37 -13.129 -8.674 -1.011 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.551 -7.724 -2.112 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.901 -8.386 0.278 1.00 0.81 C ATOM 0 H VAL A 37 -13.263 -10.710 0.542 1.00 0.99 H new ATOM 0 HA VAL A 37 -14.147 -10.194 -2.161 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.070 -8.517 -0.804 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.416 -6.696 -1.777 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -12.941 -7.900 -2.998 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.600 -7.892 -2.355 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.751 -7.346 0.567 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.963 -8.568 0.114 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.539 -9.039 1.072 1.00 0.81 H new ATOM 459 N GLY A 38 -12.145 -10.914 -3.427 1.00 1.18 N ATOM 460 CA GLY A 38 -10.990 -11.336 -4.183 1.00 1.27 C ATOM 461 C GLY A 38 -10.221 -10.133 -4.673 1.00 1.09 C ATOM 462 O GLY A 38 -9.011 -10.184 -4.883 1.00 1.23 O ATOM 0 H GLY A 38 -13.016 -10.880 -3.957 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.347 -11.959 -3.562 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -11.304 -11.946 -5.030 1.00 1.27 H new ATOM 466 N ASN A 39 -10.948 -9.040 -4.840 1.00 0.92 N ATOM 467 CA ASN A 39 -10.385 -7.783 -5.295 1.00 0.82 C ATOM 468 C ASN A 39 -10.609 -6.703 -4.238 1.00 0.64 C ATOM 469 O ASN A 39 -11.337 -5.733 -4.468 1.00 0.74 O ATOM 470 CB ASN A 39 -11.021 -7.368 -6.623 1.00 0.99 C ATOM 471 CG ASN A 39 -10.183 -6.353 -7.381 1.00 1.44 C ATOM 472 OD1 ASN A 39 -9.023 -6.121 -7.050 1.00 2.12 O ATOM 473 ND2 ASN A 39 -10.763 -5.740 -8.402 1.00 2.13 N ATOM 0 H ASN A 39 -11.952 -9.002 -4.662 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.313 -7.909 -5.450 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.164 -8.252 -7.245 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -12.009 -6.948 -6.433 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -10.244 -5.049 -8.943 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -11.729 -5.959 -8.647 1.00 2.13 H new ATOM 480 N PHE A 40 -9.986 -6.899 -3.075 1.00 0.46 N ATOM 481 CA PHE A 40 -10.096 -5.964 -1.951 1.00 0.32 C ATOM 482 C PHE A 40 -9.642 -4.569 -2.382 1.00 0.28 C ATOM 483 O PHE A 40 -10.354 -3.582 -2.190 1.00 0.52 O ATOM 484 CB PHE A 40 -9.247 -6.485 -0.782 1.00 0.24 C ATOM 485 CG PHE A 40 -9.387 -5.714 0.501 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.641 -5.497 1.047 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.281 -5.194 1.148 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.792 -4.784 2.218 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.421 -4.476 2.321 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.615 -4.308 2.886 1.00 0.33 C ATOM 0 H PHE A 40 -9.393 -7.707 -2.885 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.135 -5.891 -1.628 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.515 -7.525 -0.594 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.199 -6.475 -1.081 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.514 -5.892 0.548 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.297 -5.351 0.732 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.774 -4.588 2.623 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.548 -4.044 2.787 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.697 -3.815 3.844 1.00 0.33 H new ATOM 500 N MET A 41 -8.471 -4.500 -3.000 1.00 0.22 N ATOM 501 CA MET A 41 -7.939 -3.248 -3.499 1.00 0.18 C ATOM 502 C MET A 41 -7.250 -3.511 -4.833 1.00 0.20 C ATOM 503 O MET A 41 -6.413 -4.406 -4.927 1.00 0.24 O ATOM 504 CB MET A 41 -6.961 -2.641 -2.494 1.00 0.17 C ATOM 505 CG MET A 41 -6.634 -1.182 -2.749 1.00 0.21 C ATOM 506 SD MET A 41 -8.104 -0.133 -2.835 1.00 0.28 S ATOM 507 CE MET A 41 -8.364 0.240 -1.102 1.00 0.25 C ATOM 0 H MET A 41 -7.870 -5.307 -3.167 1.00 0.22 H new ATOM 0 HA MET A 41 -8.750 -2.533 -3.641 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.380 -2.738 -1.492 1.00 0.17 H new ATOM 0 HB3 MET A 41 -6.036 -3.217 -2.510 1.00 0.17 H new ATOM 0 HG2 MET A 41 -5.981 -0.818 -1.956 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.079 -1.098 -3.683 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.999 1.121 -1.011 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.847 -0.608 -0.616 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.404 0.434 -0.624 1.00 0.25 H new ATOM 517 N PRO A 42 -7.610 -2.754 -5.880 1.00 0.20 N ATOM 518 CA PRO A 42 -7.034 -2.929 -7.218 1.00 0.24 C ATOM 519 C PRO A 42 -5.514 -2.801 -7.224 1.00 0.21 C ATOM 520 O PRO A 42 -4.951 -1.968 -6.512 1.00 0.20 O ATOM 521 CB PRO A 42 -7.652 -1.798 -8.040 1.00 0.29 C ATOM 522 CG PRO A 42 -8.899 -1.431 -7.313 1.00 0.27 C ATOM 523 CD PRO A 42 -8.617 -1.684 -5.851 1.00 0.23 C ATOM 0 HA PRO A 42 -7.245 -3.924 -7.609 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -6.974 -0.948 -8.115 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -7.869 -2.123 -9.058 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.158 -0.386 -7.485 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.742 -2.030 -7.657 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.240 -0.790 -5.354 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.515 -1.992 -5.316 1.00 0.23 H new ATOM 531 N ASP A 43 -4.873 -3.639 -8.036 1.00 0.23 N ATOM 532 CA ASP A 43 -3.413 -3.666 -8.173 1.00 0.23 C ATOM 533 C ASP A 43 -2.851 -2.270 -8.423 1.00 0.22 C ATOM 534 O ASP A 43 -1.802 -1.898 -7.889 1.00 0.23 O ATOM 535 CB ASP A 43 -3.027 -4.590 -9.334 1.00 0.29 C ATOM 536 CG ASP A 43 -1.776 -5.392 -9.063 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.742 -4.783 -8.700 1.00 1.08 O ATOM 538 OD2 ASP A 43 -1.819 -6.628 -9.182 1.00 1.51 O ATOM 0 H ASP A 43 -5.352 -4.323 -8.622 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.990 -4.039 -7.240 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.852 -5.273 -9.537 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -2.880 -3.992 -10.233 1.00 0.29 H new ATOM 543 N SER A 44 -3.569 -1.504 -9.232 1.00 0.23 N ATOM 544 CA SER A 44 -3.174 -0.151 -9.570 1.00 0.25 C ATOM 545 C SER A 44 -3.210 0.746 -8.340 1.00 0.23 C ATOM 546 O SER A 44 -2.266 1.493 -8.080 1.00 0.26 O ATOM 547 CB SER A 44 -4.108 0.391 -10.652 1.00 0.32 C ATOM 548 OG SER A 44 -5.317 -0.350 -10.675 1.00 0.57 O ATOM 0 H SER A 44 -4.439 -1.805 -9.670 1.00 0.23 H new ATOM 0 HA SER A 44 -2.151 -0.162 -9.946 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.322 1.443 -10.464 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.620 0.334 -11.625 1.00 0.32 H new ATOM 0 HG SER A 44 -5.907 0.008 -11.371 1.00 0.57 H new ATOM 554 N ILE A 45 -4.298 0.660 -7.583 1.00 0.21 N ATOM 555 CA ILE A 45 -4.455 1.464 -6.378 1.00 0.21 C ATOM 556 C ILE A 45 -3.461 1.042 -5.304 1.00 0.17 C ATOM 557 O ILE A 45 -2.947 1.883 -4.569 1.00 0.18 O ATOM 558 CB ILE A 45 -5.888 1.380 -5.813 1.00 0.24 C ATOM 559 CG1 ILE A 45 -6.899 1.710 -6.926 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.049 2.310 -4.613 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.619 3.039 -6.776 1.00 0.34 C ATOM 0 H ILE A 45 -5.084 0.041 -7.783 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.258 2.497 -6.664 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.081 0.366 -5.463 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.376 1.705 -7.882 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -7.643 0.915 -6.965 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.067 2.236 -4.229 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.345 2.022 -3.832 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.851 3.337 -4.919 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.308 3.176 -7.610 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -8.177 3.047 -5.840 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.890 3.849 -6.771 1.00 0.34 H new ATOM 573 N LEU A 46 -3.171 -0.255 -5.232 1.00 0.16 N ATOM 574 CA LEU A 46 -2.216 -0.760 -4.256 1.00 0.16 C ATOM 575 C LEU A 46 -0.843 -0.147 -4.515 1.00 0.16 C ATOM 576 O LEU A 46 -0.080 0.101 -3.588 1.00 0.19 O ATOM 577 CB LEU A 46 -2.100 -2.291 -4.322 1.00 0.18 C ATOM 578 CG LEU A 46 -3.345 -3.086 -3.906 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.294 -4.492 -4.489 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.455 -3.152 -2.390 1.00 0.19 C ATOM 0 H LEU A 46 -3.582 -0.969 -5.834 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.574 -0.482 -3.265 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.841 -2.571 -5.343 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.269 -2.599 -3.687 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.225 -2.575 -4.296 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.183 -5.044 -4.186 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.257 -4.434 -5.577 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.405 -5.006 -4.122 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.344 -3.720 -2.114 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.571 -3.641 -1.982 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.530 -2.142 -1.986 1.00 0.19 H new ATOM 592 N LYS A 47 -0.535 0.080 -5.792 1.00 0.17 N ATOM 593 CA LYS A 47 0.750 0.647 -6.188 1.00 0.19 C ATOM 594 C LYS A 47 0.844 2.139 -5.869 1.00 0.18 C ATOM 595 O LYS A 47 1.832 2.587 -5.280 1.00 0.20 O ATOM 596 CB LYS A 47 0.996 0.420 -7.679 1.00 0.24 C ATOM 597 CG LYS A 47 1.695 -0.895 -7.986 1.00 0.31 C ATOM 598 CD LYS A 47 1.664 -1.213 -9.474 1.00 0.44 C ATOM 599 CE LYS A 47 1.244 -2.653 -9.722 1.00 0.88 C ATOM 600 NZ LYS A 47 1.258 -2.998 -11.169 1.00 0.97 N ATOM 0 H LYS A 47 -1.162 -0.122 -6.571 1.00 0.17 H new ATOM 0 HA LYS A 47 1.518 0.134 -5.609 1.00 0.19 H new ATOM 0 HB2 LYS A 47 0.041 0.446 -8.205 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.597 1.241 -8.069 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.729 -0.846 -7.646 1.00 0.31 H new ATOM 0 HG3 LYS A 47 1.215 -1.701 -7.431 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.972 -0.538 -9.978 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.650 -1.040 -9.906 1.00 0.44 H new ATOM 0 HE2 LYS A 47 1.914 -3.323 -9.183 1.00 0.88 H new ATOM 0 HE3 LYS A 47 0.243 -2.812 -9.321 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 0.965 -3.988 -11.293 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.600 -2.376 -11.681 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 2.219 -2.871 -11.547 1.00 0.97 H new ATOM 614 N LYS A 48 -0.172 2.912 -6.249 1.00 0.17 N ATOM 615 CA LYS A 48 -0.158 4.354 -5.982 1.00 0.18 C ATOM 616 C LYS A 48 -0.226 4.625 -4.486 1.00 0.18 C ATOM 617 O LYS A 48 0.421 5.542 -3.983 1.00 0.20 O ATOM 618 CB LYS A 48 -1.307 5.080 -6.697 1.00 0.20 C ATOM 619 CG LYS A 48 -2.516 4.206 -6.977 1.00 0.31 C ATOM 620 CD LYS A 48 -3.708 5.017 -7.454 1.00 0.32 C ATOM 621 CE LYS A 48 -3.660 5.263 -8.954 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.954 5.778 -9.483 1.00 0.77 N ATOM 0 H LYS A 48 -1.003 2.574 -6.735 1.00 0.17 H new ATOM 0 HA LYS A 48 0.781 4.743 -6.375 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.619 5.929 -6.089 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -0.937 5.482 -7.640 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.259 3.462 -7.731 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.787 3.662 -6.072 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.629 4.492 -7.201 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.731 5.972 -6.930 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.868 5.978 -9.178 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -3.405 4.334 -9.464 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.789 6.273 -10.383 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.606 4.983 -9.639 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.372 6.438 -8.797 1.00 0.77 H new ATOM 636 N MET A 49 -1.004 3.826 -3.784 1.00 0.17 N ATOM 637 CA MET A 49 -1.153 3.978 -2.346 1.00 0.17 C ATOM 638 C MET A 49 0.126 3.553 -1.622 1.00 0.17 C ATOM 639 O MET A 49 0.436 4.067 -0.553 1.00 0.19 O ATOM 640 CB MET A 49 -2.385 3.196 -1.847 1.00 0.17 C ATOM 641 CG MET A 49 -2.077 2.034 -0.914 1.00 0.19 C ATOM 642 SD MET A 49 -3.169 1.969 0.516 1.00 1.07 S ATOM 643 CE MET A 49 -4.546 1.036 -0.145 1.00 0.22 C ATOM 0 H MET A 49 -1.546 3.061 -4.186 1.00 0.17 H new ATOM 0 HA MET A 49 -1.318 5.031 -2.118 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.051 3.888 -1.332 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.928 2.814 -2.711 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.158 1.099 -1.469 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.045 2.114 -0.572 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.248 0.806 0.657 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.050 1.625 -0.911 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.180 0.108 -0.583 1.00 0.22 H new ATOM 653 N ALA A 50 0.872 2.621 -2.211 1.00 0.16 N ATOM 654 CA ALA A 50 2.119 2.149 -1.610 1.00 0.17 C ATOM 655 C ALA A 50 3.250 3.145 -1.836 1.00 0.18 C ATOM 656 O ALA A 50 4.187 3.224 -1.044 1.00 0.22 O ATOM 657 CB ALA A 50 2.505 0.789 -2.179 1.00 0.19 C ATOM 0 H ALA A 50 0.637 2.179 -3.100 1.00 0.16 H new ATOM 0 HA ALA A 50 1.955 2.052 -0.537 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.435 0.453 -1.720 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.715 0.068 -1.967 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.641 0.871 -3.257 1.00 0.19 H new ATOM 663 N ALA A 51 3.165 3.883 -2.935 1.00 0.18 N ATOM 664 CA ALA A 51 4.193 4.855 -3.284 1.00 0.22 C ATOM 665 C ALA A 51 3.994 6.196 -2.574 1.00 0.24 C ATOM 666 O ALA A 51 4.966 6.869 -2.222 1.00 0.30 O ATOM 667 CB ALA A 51 4.232 5.050 -4.792 1.00 0.25 C ATOM 0 H ALA A 51 2.394 3.827 -3.601 1.00 0.18 H new ATOM 0 HA ALA A 51 5.149 4.457 -2.944 1.00 0.22 H new ATOM 0 HB1 ALA A 51 5.003 5.778 -5.045 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.457 4.100 -5.276 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.264 5.412 -5.137 1.00 0.25 H new ATOM 673 N ILE A 52 2.746 6.600 -2.387 1.00 0.24 N ATOM 674 CA ILE A 52 2.452 7.877 -1.744 1.00 0.28 C ATOM 675 C ILE A 52 2.111 7.693 -0.265 1.00 0.26 C ATOM 676 O ILE A 52 2.441 8.545 0.564 1.00 0.31 O ATOM 677 CB ILE A 52 1.273 8.580 -2.461 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.763 9.267 -3.741 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.580 9.591 -1.555 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.530 8.455 -4.998 1.00 0.37 C ATOM 0 H ILE A 52 1.923 6.067 -2.669 1.00 0.24 H new ATOM 0 HA ILE A 52 3.347 8.495 -1.817 1.00 0.28 H new ATOM 0 HB ILE A 52 0.543 7.813 -2.720 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.259 10.228 -3.842 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.829 9.474 -3.646 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.241 10.062 -2.096 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.189 9.082 -0.674 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.295 10.353 -1.246 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.903 9.006 -5.861 1.00 0.37 H new ATOM 0 HD12 ILE A 52 2.057 7.504 -4.920 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.463 8.270 -5.119 1.00 0.37 H new ATOM 692 N LEU A 53 1.462 6.574 0.045 1.00 0.21 N ATOM 693 CA LEU A 53 1.062 6.250 1.412 1.00 0.21 C ATOM 694 C LEU A 53 0.230 7.383 2.028 1.00 0.23 C ATOM 695 O LEU A 53 0.699 8.116 2.904 1.00 0.27 O ATOM 696 CB LEU A 53 2.295 5.964 2.262 1.00 0.24 C ATOM 697 CG LEU A 53 2.874 4.557 2.101 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.213 4.450 2.812 1.00 0.41 C ATOM 699 CD2 LEU A 53 1.899 3.515 2.630 1.00 0.35 C ATOM 0 H LEU A 53 1.199 5.868 -0.642 1.00 0.21 H new ATOM 0 HA LEU A 53 0.437 5.357 1.385 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.068 6.690 2.011 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.040 6.119 3.310 1.00 0.24 H new ATOM 0 HG LEU A 53 3.033 4.367 1.040 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.611 3.443 2.688 1.00 0.41 H new ATOM 0 HD12 LEU A 53 4.910 5.171 2.385 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.079 4.659 3.873 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.328 2.520 2.507 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.707 3.700 3.687 1.00 0.35 H new ATOM 0 HD23 LEU A 53 0.963 3.578 2.075 1.00 0.35 H new ATOM 711 N PRO A 54 -1.012 7.544 1.558 1.00 0.24 N ATOM 712 CA PRO A 54 -1.920 8.588 2.032 1.00 0.30 C ATOM 713 C PRO A 54 -2.559 8.240 3.375 1.00 0.40 C ATOM 714 O PRO A 54 -3.381 7.330 3.469 1.00 0.48 O ATOM 715 CB PRO A 54 -2.985 8.664 0.929 1.00 0.36 C ATOM 716 CG PRO A 54 -2.557 7.708 -0.139 1.00 0.25 C ATOM 717 CD PRO A 54 -1.636 6.729 0.519 1.00 0.23 C ATOM 0 HA PRO A 54 -1.401 9.531 2.205 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.967 8.396 1.319 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.064 9.677 0.534 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.418 7.200 -0.574 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.052 8.232 -0.951 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -2.176 5.879 0.937 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.902 6.328 -0.180 1.00 0.23 H new ATOM 725 N MET A 55 -2.175 8.967 4.415 1.00 0.49 N ATOM 726 CA MET A 55 -2.702 8.729 5.756 1.00 0.64 C ATOM 727 C MET A 55 -4.084 9.360 5.917 1.00 0.72 C ATOM 728 O MET A 55 -4.904 8.894 6.710 1.00 1.02 O ATOM 729 CB MET A 55 -1.746 9.293 6.804 1.00 0.80 C ATOM 730 CG MET A 55 -0.801 8.255 7.399 1.00 1.07 C ATOM 731 SD MET A 55 -0.519 8.487 9.164 1.00 1.66 S ATOM 732 CE MET A 55 -2.056 7.843 9.814 1.00 1.52 C ATOM 0 H MET A 55 -1.499 9.729 4.358 1.00 0.49 H new ATOM 0 HA MET A 55 -2.796 7.653 5.900 1.00 0.64 H new ATOM 0 HB2 MET A 55 -1.156 10.090 6.352 1.00 0.80 H new ATOM 0 HB3 MET A 55 -2.328 9.743 7.608 1.00 0.80 H new ATOM 0 HG2 MET A 55 -1.211 7.259 7.230 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.154 8.299 6.875 1.00 1.07 H new ATOM 0 HE1 MET A 55 -2.603 8.642 10.314 1.00 1.52 H new ATOM 0 HE2 MET A 55 -2.659 7.447 8.997 1.00 1.52 H new ATOM 0 HE3 MET A 55 -1.844 7.047 10.528 1.00 1.52 H new ATOM 742 N ASN A 56 -4.336 10.413 5.158 1.00 0.66 N ATOM 743 CA ASN A 56 -5.625 11.101 5.211 1.00 0.84 C ATOM 744 C ASN A 56 -6.220 11.217 3.815 1.00 0.69 C ATOM 745 O ASN A 56 -5.533 10.977 2.822 1.00 0.59 O ATOM 746 CB ASN A 56 -5.476 12.487 5.844 1.00 1.13 C ATOM 747 CG ASN A 56 -6.605 12.816 6.802 1.00 1.94 C ATOM 748 OD1 ASN A 56 -7.733 12.331 6.650 1.00 2.68 O ATOM 749 ND2 ASN A 56 -6.313 13.648 7.795 1.00 2.34 N ATOM 0 H ASN A 56 -3.670 10.813 4.497 1.00 0.66 H new ATOM 0 HA ASN A 56 -6.301 10.513 5.832 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -4.526 12.539 6.376 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -5.442 13.240 5.057 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -7.032 13.910 8.469 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -5.369 14.025 7.884 1.00 2.34 H new ATOM 756 N ASP A 57 -7.500 11.571 3.740 1.00 0.76 N ATOM 757 CA ASP A 57 -8.193 11.699 2.455 1.00 0.76 C ATOM 758 C ASP A 57 -7.604 12.826 1.607 1.00 0.73 C ATOM 759 O ASP A 57 -7.692 12.807 0.378 1.00 1.11 O ATOM 760 CB ASP A 57 -9.685 11.930 2.678 1.00 0.96 C ATOM 761 CG ASP A 57 -10.451 12.131 1.387 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.619 11.143 0.643 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.882 13.272 1.108 1.00 2.68 O ATOM 0 H ASP A 57 -8.081 11.775 4.553 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.054 10.766 1.910 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -10.103 11.078 3.213 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.821 12.804 3.315 1.00 0.96 H new ATOM 768 N SER A 58 -6.977 13.793 2.266 1.00 0.67 N ATOM 769 CA SER A 58 -6.346 14.911 1.572 1.00 0.72 C ATOM 770 C SER A 58 -5.245 14.389 0.638 1.00 0.66 C ATOM 771 O SER A 58 -5.065 14.886 -0.473 1.00 0.77 O ATOM 772 CB SER A 58 -5.773 15.886 2.602 1.00 0.87 C ATOM 773 OG SER A 58 -6.330 15.646 3.891 1.00 1.02 O ATOM 0 H SER A 58 -6.891 13.826 3.282 1.00 0.67 H new ATOM 0 HA SER A 58 -7.085 15.436 0.966 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.689 15.782 2.644 1.00 0.87 H new ATOM 0 HB3 SER A 58 -5.983 16.911 2.295 1.00 0.87 H new ATOM 0 HG SER A 58 -5.949 16.279 4.535 1.00 1.02 H new ATOM 779 N ALA A 59 -4.541 13.355 1.093 1.00 0.58 N ATOM 780 CA ALA A 59 -3.485 12.736 0.302 1.00 0.59 C ATOM 781 C ALA A 59 -4.092 11.757 -0.685 1.00 0.51 C ATOM 782 O ALA A 59 -3.553 11.514 -1.764 1.00 0.59 O ATOM 783 CB ALA A 59 -2.476 12.041 1.194 1.00 0.62 C ATOM 0 H ALA A 59 -4.685 12.929 2.008 1.00 0.58 H new ATOM 0 HA ALA A 59 -2.959 13.515 -0.249 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.699 11.587 0.579 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.026 12.768 1.870 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -2.977 11.267 1.775 1.00 0.62 H new ATOM 789 N PHE A 60 -5.235 11.204 -0.303 1.00 0.40 N ATOM 790 CA PHE A 60 -5.960 10.257 -1.142 1.00 0.37 C ATOM 791 C PHE A 60 -6.386 10.932 -2.440 1.00 0.42 C ATOM 792 O PHE A 60 -6.584 10.278 -3.466 1.00 0.46 O ATOM 793 CB PHE A 60 -7.176 9.692 -0.405 1.00 0.33 C ATOM 794 CG PHE A 60 -6.853 8.458 0.370 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.970 7.533 -0.150 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.412 8.223 1.611 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.648 6.398 0.548 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.094 7.083 2.320 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.208 6.168 1.783 1.00 0.24 C ATOM 0 H PHE A 60 -5.685 11.397 0.592 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.296 9.425 -1.378 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.570 10.450 0.272 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.962 9.469 -1.126 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.527 7.706 -1.120 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.104 8.938 2.030 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.955 5.684 0.128 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.535 6.906 3.290 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.956 5.273 2.333 1.00 0.24 H new ATOM 809 N ALA A 61 -6.518 12.255 -2.385 1.00 0.47 N ATOM 810 CA ALA A 61 -6.902 13.043 -3.542 1.00 0.56 C ATOM 811 C ALA A 61 -5.903 12.873 -4.684 1.00 0.58 C ATOM 812 O ALA A 61 -6.250 13.049 -5.847 1.00 0.64 O ATOM 813 CB ALA A 61 -7.024 14.508 -3.159 1.00 0.67 C ATOM 0 H ALA A 61 -6.362 12.804 -1.540 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.871 12.685 -3.890 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.312 15.090 -4.034 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.782 14.619 -2.383 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.066 14.867 -2.784 1.00 0.67 H new ATOM 819 N THR A 62 -4.661 12.518 -4.357 1.00 0.57 N ATOM 820 CA THR A 62 -3.645 12.324 -5.383 1.00 0.64 C ATOM 821 C THR A 62 -3.546 10.858 -5.826 1.00 0.53 C ATOM 822 O THR A 62 -2.649 10.490 -6.582 1.00 0.57 O ATOM 823 CB THR A 62 -2.267 12.833 -4.935 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.083 12.664 -3.524 1.00 1.03 O ATOM 825 CG2 THR A 62 -2.104 14.301 -5.296 1.00 1.13 C ATOM 0 H THR A 62 -4.340 12.361 -3.402 1.00 0.57 H new ATOM 0 HA THR A 62 -3.965 12.918 -6.239 1.00 0.64 H new ATOM 0 HB THR A 62 -1.512 12.244 -5.455 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.597 11.888 -3.218 1.00 1.03 H new ATOM 0 HG21 THR A 62 -1.123 14.648 -4.973 1.00 1.13 H new ATOM 0 HG22 THR A 62 -2.194 14.422 -6.375 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.878 14.886 -4.799 1.00 1.13 H new ATOM 833 N LEU A 63 -4.485 10.030 -5.367 1.00 0.44 N ATOM 834 CA LEU A 63 -4.512 8.610 -5.737 1.00 0.40 C ATOM 835 C LEU A 63 -5.316 8.413 -7.013 1.00 0.48 C ATOM 836 O LEU A 63 -5.768 7.302 -7.317 1.00 0.68 O ATOM 837 CB LEU A 63 -5.157 7.768 -4.631 1.00 0.34 C ATOM 838 CG LEU A 63 -4.256 7.355 -3.464 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.726 6.034 -2.873 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.809 7.213 -3.886 1.00 0.27 C ATOM 0 H LEU A 63 -5.237 10.315 -4.739 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.481 8.290 -5.886 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.001 8.327 -4.227 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.561 6.863 -5.085 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.323 8.147 -2.718 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.075 5.754 -2.045 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.749 6.141 -2.511 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.691 5.260 -3.639 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.207 6.919 -3.027 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.729 6.452 -4.662 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.448 8.166 -4.273 1.00 0.27 H new ATOM 852 N GLY A 64 -5.520 9.491 -7.736 1.00 0.63 N ATOM 853 CA GLY A 64 -6.295 9.425 -8.945 1.00 0.76 C ATOM 854 C GLY A 64 -7.742 9.762 -8.674 1.00 0.91 C ATOM 855 O GLY A 64 -8.079 10.927 -8.470 1.00 1.61 O ATOM 0 H GLY A 64 -5.160 10.417 -7.506 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -5.888 10.117 -9.682 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.224 8.425 -9.374 1.00 0.76 H new ATOM 859 N THR A 65 -8.598 8.751 -8.657 1.00 1.22 N ATOM 860 CA THR A 65 -10.015 8.963 -8.402 1.00 1.52 C ATOM 861 C THR A 65 -10.641 7.784 -7.656 1.00 1.28 C ATOM 862 O THR A 65 -11.365 6.977 -8.253 1.00 1.56 O ATOM 863 CB THR A 65 -10.794 9.189 -9.705 1.00 2.09 C ATOM 864 OG1 THR A 65 -9.912 9.139 -10.841 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.517 10.529 -9.674 1.00 2.55 C ATOM 0 H THR A 65 -8.337 7.778 -8.816 1.00 1.22 H new ATOM 0 HA THR A 65 -10.081 9.856 -7.780 1.00 1.52 H new ATOM 0 HB THR A 65 -11.532 8.392 -9.796 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.427 9.283 -11.662 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.063 10.670 -10.607 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.216 10.546 -8.838 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.790 11.332 -9.555 1.00 2.55 H new ATOM 873 N VAL A 66 -10.386 7.689 -6.355 1.00 0.89 N ATOM 874 CA VAL A 66 -10.969 6.606 -5.572 1.00 0.69 C ATOM 875 C VAL A 66 -12.409 6.949 -5.206 1.00 0.68 C ATOM 876 O VAL A 66 -12.699 8.026 -4.677 1.00 0.72 O ATOM 877 CB VAL A 66 -10.155 6.244 -4.296 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.720 5.899 -4.655 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.195 7.352 -3.249 1.00 0.58 C ATOM 0 H VAL A 66 -9.794 8.333 -5.830 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.943 5.718 -6.204 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.628 5.368 -3.853 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.168 5.649 -3.749 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.710 5.046 -5.333 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.251 6.754 -5.141 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.612 7.051 -2.378 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.774 8.265 -3.669 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.227 7.533 -2.950 1.00 0.58 H new ATOM 889 N GLU A 67 -13.316 6.034 -5.514 1.00 0.72 N ATOM 890 CA GLU A 67 -14.729 6.233 -5.229 1.00 0.79 C ATOM 891 C GLU A 67 -14.981 6.081 -3.733 1.00 0.63 C ATOM 892 O GLU A 67 -14.154 5.504 -3.016 1.00 0.49 O ATOM 893 CB GLU A 67 -15.573 5.214 -6.000 1.00 0.94 C ATOM 894 CG GLU A 67 -16.281 5.790 -7.206 1.00 1.19 C ATOM 895 CD GLU A 67 -15.989 5.003 -8.463 1.00 1.70 C ATOM 896 OE1 GLU A 67 -16.693 4.007 -8.722 1.00 2.42 O ATOM 897 OE2 GLU A 67 -15.043 5.370 -9.194 1.00 2.16 O ATOM 0 H GLU A 67 -13.098 5.144 -5.962 1.00 0.72 H new ATOM 0 HA GLU A 67 -15.013 7.238 -5.543 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.930 4.396 -6.325 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.315 4.787 -5.325 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -17.356 5.799 -7.025 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.973 6.826 -7.347 1.00 1.19 H new ATOM 904 N ASP A 68 -16.121 6.581 -3.264 1.00 0.71 N ATOM 905 CA ASP A 68 -16.461 6.473 -1.845 1.00 0.67 C ATOM 906 C ASP A 68 -16.491 5.013 -1.420 1.00 0.54 C ATOM 907 O ASP A 68 -16.119 4.680 -0.297 1.00 0.55 O ATOM 908 CB ASP A 68 -17.799 7.149 -1.537 1.00 0.85 C ATOM 909 CG ASP A 68 -17.966 7.442 -0.053 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.206 8.273 0.487 1.00 1.72 O ATOM 911 OD2 ASP A 68 -18.859 6.841 0.587 1.00 1.61 O ATOM 0 H ASP A 68 -16.818 7.059 -3.835 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.690 6.991 -1.275 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -17.872 8.079 -2.100 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.614 6.508 -1.873 1.00 0.85 H new ATOM 916 N LYS A 69 -16.914 4.138 -2.332 1.00 0.55 N ATOM 917 CA LYS A 69 -16.970 2.704 -2.056 1.00 0.58 C ATOM 918 C LYS A 69 -15.566 2.151 -1.793 1.00 0.51 C ATOM 919 O LYS A 69 -15.395 1.192 -1.036 1.00 0.60 O ATOM 920 CB LYS A 69 -17.640 1.962 -3.222 1.00 0.71 C ATOM 921 CG LYS A 69 -16.836 1.964 -4.516 1.00 0.82 C ATOM 922 CD LYS A 69 -17.704 2.370 -5.698 1.00 1.15 C ATOM 923 CE LYS A 69 -17.672 1.336 -6.817 1.00 1.53 C ATOM 924 NZ LYS A 69 -18.204 1.883 -8.097 1.00 1.97 N ATOM 0 H LYS A 69 -17.223 4.398 -3.269 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.569 2.546 -1.159 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.821 0.930 -2.923 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.613 2.414 -3.413 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.995 2.652 -4.425 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.419 0.972 -4.690 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.732 2.507 -5.362 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.364 3.331 -6.084 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -16.648 0.995 -6.966 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -18.258 0.465 -6.523 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -18.118 1.165 -8.844 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -19.205 2.138 -7.976 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -17.661 2.729 -8.365 1.00 1.97 H new ATOM 938 N TYR A 70 -14.559 2.786 -2.392 1.00 0.43 N ATOM 939 CA TYR A 70 -13.170 2.379 -2.198 1.00 0.39 C ATOM 940 C TYR A 70 -12.687 2.903 -0.862 1.00 0.33 C ATOM 941 O TYR A 70 -11.903 2.263 -0.161 1.00 0.34 O ATOM 942 CB TYR A 70 -12.293 2.912 -3.339 1.00 0.47 C ATOM 943 CG TYR A 70 -12.371 2.072 -4.601 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.612 0.912 -4.741 1.00 1.05 C ATOM 945 CD2 TYR A 70 -13.190 2.451 -5.656 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.677 0.154 -5.896 1.00 1.16 C ATOM 947 CE2 TYR A 70 -13.256 1.699 -6.813 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.529 0.507 -6.898 1.00 0.94 C ATOM 949 OH TYR A 70 -12.564 -0.190 -8.088 1.00 1.11 O ATOM 0 H TYR A 70 -14.680 3.584 -3.015 1.00 0.43 H new ATOM 0 HA TYR A 70 -13.102 1.291 -2.205 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.594 3.933 -3.572 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.257 2.954 -3.002 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.963 0.600 -3.936 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -13.785 3.348 -5.571 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -11.051 -0.719 -6.003 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.863 2.028 -7.644 1.00 1.29 H new ATOM 0 HH TYR A 70 -13.235 0.208 -8.681 1.00 1.11 H new ATOM 959 N ARG A 71 -13.205 4.067 -0.504 1.00 0.37 N ATOM 960 CA ARG A 71 -12.884 4.706 0.756 1.00 0.46 C ATOM 961 C ARG A 71 -13.470 3.905 1.921 1.00 0.52 C ATOM 962 O ARG A 71 -12.908 3.883 3.018 1.00 0.59 O ATOM 963 CB ARG A 71 -13.408 6.130 0.763 1.00 0.60 C ATOM 964 CG ARG A 71 -12.351 7.140 0.366 1.00 0.81 C ATOM 965 CD ARG A 71 -12.491 8.391 1.197 1.00 0.97 C ATOM 966 NE ARG A 71 -13.842 8.940 1.105 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.155 10.047 0.433 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.200 10.844 -0.031 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.425 10.373 0.246 1.00 2.53 N ATOM 0 H ARG A 71 -13.860 4.594 -1.082 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.801 4.736 0.874 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.253 6.206 0.079 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.781 6.371 1.758 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.358 6.712 0.504 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -12.449 7.384 -0.692 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.257 8.167 2.238 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.770 9.136 0.861 1.00 0.97 H new ATOM 0 HE ARG A 71 -14.593 8.444 1.586 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -12.220 10.610 0.126 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -13.447 11.690 -0.545 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -16.165 9.776 0.617 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.663 11.221 -0.269 1.00 2.53 H new ATOM 983 N ARG A 72 -14.609 3.260 1.664 1.00 0.57 N ATOM 984 CA ARG A 72 -15.301 2.446 2.662 1.00 0.72 C ATOM 985 C ARG A 72 -14.359 1.436 3.298 1.00 0.68 C ATOM 986 O ARG A 72 -14.094 1.493 4.489 1.00 0.82 O ATOM 987 CB ARG A 72 -16.456 1.703 2.018 1.00 0.87 C ATOM 988 CG ARG A 72 -17.475 2.620 1.402 1.00 1.22 C ATOM 989 CD ARG A 72 -18.440 3.157 2.434 1.00 1.78 C ATOM 990 NE ARG A 72 -19.181 4.314 1.937 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.498 4.451 2.028 1.00 3.47 C ATOM 992 NH1 ARG A 72 -21.234 3.542 2.649 1.00 3.77 N ATOM 993 NH2 ARG A 72 -21.078 5.534 1.529 1.00 4.38 N ATOM 0 H ARG A 72 -15.077 3.288 0.758 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.673 3.117 3.436 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.067 1.034 1.251 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.943 1.080 2.768 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -16.968 3.451 0.911 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -18.028 2.084 0.631 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -19.141 2.372 2.719 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -17.891 3.436 3.333 1.00 1.78 H new ATOM 0 HE ARG A 72 -18.653 5.064 1.492 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -20.790 2.724 3.065 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -22.245 3.660 2.711 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -20.513 6.254 1.079 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -22.090 5.647 1.595 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.852 0.510 2.496 1.00 0.63 N ATOM 1008 CA ARG A 73 -12.939 -0.504 3.007 1.00 0.70 C ATOM 1009 C ARG A 73 -11.520 0.049 3.124 1.00 0.53 C ATOM 1010 O ARG A 73 -10.617 -0.634 3.611 1.00 0.59 O ATOM 1011 CB ARG A 73 -12.970 -1.764 2.129 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.068 -1.712 0.911 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.713 -0.919 -0.201 1.00 0.71 C ATOM 1014 NE ARG A 73 -12.398 -1.473 -1.521 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.289 -1.600 -2.513 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -14.536 -1.168 -2.349 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -12.939 -2.175 -3.660 1.00 1.44 N ATOM 0 H ARG A 73 -14.054 0.439 1.499 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.272 -0.785 4.006 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -12.685 -2.622 2.738 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -13.995 -1.934 1.798 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.113 -1.260 1.179 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.856 -2.724 0.566 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.794 -0.909 -0.060 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -12.375 0.116 -0.152 1.00 0.71 H new ATOM 0 HE ARG A 73 -11.441 -1.781 -1.695 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.815 -0.739 -1.467 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -15.213 -1.266 -3.106 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -11.988 -2.522 -3.787 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -13.621 -2.269 -4.412 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.338 1.297 2.693 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.027 1.952 2.762 1.00 0.26 C ATOM 1033 C PHE A 74 -9.556 2.031 4.207 1.00 0.22 C ATOM 1034 O PHE A 74 -8.366 1.900 4.497 1.00 0.30 O ATOM 1035 CB PHE A 74 -10.080 3.357 2.162 1.00 0.27 C ATOM 1036 CG PHE A 74 -9.068 3.587 1.081 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.822 2.990 1.144 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.357 4.412 0.005 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.885 3.208 0.153 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.420 4.634 -0.987 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.183 4.031 -0.912 1.00 0.30 C ATOM 0 H PHE A 74 -12.077 1.875 2.293 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.323 1.355 2.182 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -11.077 3.533 1.758 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.924 4.088 2.955 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.579 2.347 1.977 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.325 4.887 -0.059 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.917 2.733 0.213 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.657 5.279 -1.820 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.449 4.203 -1.685 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.511 2.243 5.103 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.236 2.340 6.533 1.00 0.30 C ATOM 1053 C LYS A 75 -9.627 1.041 7.073 1.00 0.28 C ATOM 1054 O LYS A 75 -8.926 1.058 8.079 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.527 2.646 7.297 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.640 1.654 7.012 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.971 2.169 7.527 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.296 1.619 8.907 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.746 1.355 9.077 1.00 1.72 N ATOM 0 H LYS A 75 -11.496 2.352 4.861 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.518 3.148 6.678 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.317 2.649 8.367 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.867 3.648 7.036 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.706 1.474 5.939 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.409 0.698 7.482 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.948 3.258 7.566 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.762 1.892 6.830 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -13.739 0.696 9.069 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -13.966 2.328 9.666 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -15.921 0.981 10.032 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.277 2.240 8.948 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.057 0.658 8.370 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.893 -0.080 6.407 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.361 -1.371 6.842 1.00 0.22 C ATOM 1075 C TYR A 76 -7.898 -1.516 6.432 1.00 0.20 C ATOM 1076 O TYR A 76 -7.214 -2.445 6.856 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.195 -2.515 6.259 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.659 -2.459 6.636 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -12.044 -2.132 7.928 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.653 -2.726 5.703 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.379 -2.077 8.286 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.991 -2.674 6.049 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.356 -2.367 7.319 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.683 -2.299 7.687 1.00 0.99 O ATOM 0 H TYR A 76 -10.471 -0.122 5.568 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.419 -1.418 7.929 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -10.109 -2.498 5.173 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.779 -3.464 6.597 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.287 -1.916 8.668 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.376 -2.979 4.690 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.666 -1.815 9.294 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.748 -2.878 5.306 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.248 -2.523 6.918 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.426 -0.575 5.628 1.00 0.18 N ATOM 1095 CA PHE A 77 -6.045 -0.567 5.165 1.00 0.21 C ATOM 1096 C PHE A 77 -5.237 0.479 5.924 1.00 0.24 C ATOM 1097 O PHE A 77 -4.013 0.502 5.845 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.994 -0.239 3.670 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.754 -1.414 2.773 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.857 -2.412 3.120 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.419 -1.509 1.565 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.640 -3.484 2.280 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.202 -2.575 0.721 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.310 -3.563 1.078 1.00 0.24 C ATOM 0 H PHE A 77 -7.987 0.202 5.279 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.620 -1.555 5.342 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.935 0.231 3.384 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.206 0.495 3.501 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.323 -2.350 4.057 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.118 -0.737 1.279 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.946 -4.261 2.564 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.730 -2.637 -0.219 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.136 -4.399 0.416 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.940 1.360 6.627 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.308 2.448 7.375 1.00 0.34 C ATOM 1116 C LYS A 78 -4.229 1.947 8.337 1.00 0.37 C ATOM 1117 O LYS A 78 -3.221 2.625 8.547 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.365 3.233 8.155 1.00 0.43 C ATOM 1119 CG LYS A 78 -7.132 4.228 7.297 1.00 0.68 C ATOM 1120 CD LYS A 78 -6.425 5.567 7.223 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.387 6.670 6.810 1.00 0.98 C ATOM 1122 NZ LYS A 78 -7.267 7.864 7.684 1.00 1.37 N ATOM 0 H LYS A 78 -6.958 1.343 6.696 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.823 3.097 6.645 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.069 2.533 8.604 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -5.881 3.767 8.973 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.253 3.824 6.292 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -8.132 4.367 7.707 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -5.988 5.805 8.193 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -5.604 5.510 6.509 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -7.190 6.955 5.776 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.409 6.293 6.848 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -8.056 8.514 7.494 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -7.294 7.569 8.681 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -6.366 8.347 7.490 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.432 0.765 8.907 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.465 0.187 9.836 1.00 0.46 C ATOM 1138 C ALA A 79 -2.152 -0.128 9.134 1.00 0.41 C ATOM 1139 O ALA A 79 -1.078 -0.033 9.723 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.032 -1.068 10.477 1.00 0.56 C ATOM 0 H ALA A 79 -5.257 0.187 8.743 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.266 0.922 10.615 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.299 -1.487 11.167 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -4.942 -0.819 11.022 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.262 -1.800 9.703 1.00 0.56 H new ATOM 1146 N THR A 80 -2.251 -0.494 7.869 1.00 0.31 N ATOM 1147 CA THR A 80 -1.094 -0.824 7.062 1.00 0.30 C ATOM 1148 C THR A 80 -0.476 0.427 6.445 1.00 0.24 C ATOM 1149 O THR A 80 0.743 0.582 6.439 1.00 0.27 O ATOM 1150 CB THR A 80 -1.501 -1.798 5.953 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.844 -2.224 6.195 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.573 -3.005 5.894 1.00 0.46 C ATOM 0 H THR A 80 -3.139 -0.570 7.373 1.00 0.31 H new ATOM 0 HA THR A 80 -0.349 -1.289 7.708 1.00 0.30 H new ATOM 0 HB THR A 80 -1.428 -1.288 4.992 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.866 -2.806 6.983 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.895 -3.673 5.095 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.446 -2.671 5.700 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.606 -3.536 6.845 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.321 1.318 5.937 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.848 2.556 5.326 1.00 0.24 C ATOM 1162 C ILE A 81 -0.045 3.368 6.334 1.00 0.28 C ATOM 1163 O ILE A 81 1.045 3.839 6.032 1.00 0.34 O ATOM 1164 CB ILE A 81 -2.013 3.424 4.801 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.977 2.607 3.945 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.491 4.599 3.993 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.267 3.332 3.635 1.00 0.55 C ATOM 0 H ILE A 81 -2.335 1.207 5.936 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.219 2.275 4.481 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.552 3.798 5.672 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.485 2.341 3.010 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.208 1.675 4.460 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.330 5.195 3.634 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.850 5.217 4.622 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.918 4.230 3.142 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.905 2.694 3.024 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.781 3.574 4.565 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -4.046 4.251 3.092 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.592 3.514 7.533 1.00 0.31 N ATOM 1180 CA ALA A 82 0.073 4.266 8.593 1.00 0.39 C ATOM 1181 C ALA A 82 1.374 3.593 9.014 1.00 0.41 C ATOM 1182 O ALA A 82 2.399 4.260 9.173 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.849 4.414 9.790 1.00 0.46 C ATOM 0 H ALA A 82 -1.496 3.122 7.798 1.00 0.31 H new ATOM 0 HA ALA A 82 0.314 5.255 8.203 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.341 4.977 10.573 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.753 4.945 9.490 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.116 3.427 10.168 1.00 0.46 H new ATOM 1189 N ASP A 83 1.320 2.275 9.186 1.00 0.37 N ATOM 1190 CA ASP A 83 2.491 1.495 9.583 1.00 0.42 C ATOM 1191 C ASP A 83 3.597 1.617 8.550 1.00 0.39 C ATOM 1192 O ASP A 83 4.712 2.010 8.875 1.00 0.46 O ATOM 1193 CB ASP A 83 2.107 0.018 9.770 1.00 0.47 C ATOM 1194 CG ASP A 83 3.312 -0.895 9.897 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.039 -0.790 10.909 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.543 -1.711 8.975 1.00 1.40 O ATOM 0 H ASP A 83 0.473 1.721 9.056 1.00 0.37 H new ATOM 0 HA ASP A 83 2.859 1.890 10.530 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.487 -0.081 10.661 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.501 -0.304 8.923 1.00 0.47 H new ATOM 1201 N LEU A 84 3.285 1.292 7.307 1.00 0.32 N ATOM 1202 CA LEU A 84 4.270 1.368 6.239 1.00 0.31 C ATOM 1203 C LEU A 84 4.746 2.800 6.020 1.00 0.35 C ATOM 1204 O LEU A 84 5.880 3.023 5.603 1.00 0.42 O ATOM 1205 CB LEU A 84 3.699 0.784 4.951 1.00 0.29 C ATOM 1206 CG LEU A 84 3.485 -0.729 4.984 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.332 -1.136 4.081 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.755 -1.460 4.584 1.00 0.48 C ATOM 0 H LEU A 84 2.362 0.974 7.012 1.00 0.32 H new ATOM 0 HA LEU A 84 5.136 0.777 6.537 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.746 1.269 4.738 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.371 1.026 4.128 1.00 0.29 H new ATOM 0 HG LEU A 84 3.232 -1.009 6.007 1.00 0.36 H new ATOM 0 HD11 LEU A 84 2.201 -2.217 4.123 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.417 -0.647 4.416 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.549 -0.836 3.056 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.581 -2.536 4.614 1.00 0.48 H new ATOM 0 HD22 LEU A 84 5.041 -1.167 3.574 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.556 -1.203 5.277 1.00 0.48 H new ATOM 1220 N SER A 85 3.898 3.771 6.331 1.00 0.37 N ATOM 1221 CA SER A 85 4.265 5.168 6.189 1.00 0.50 C ATOM 1222 C SER A 85 5.282 5.545 7.261 1.00 0.61 C ATOM 1223 O SER A 85 6.095 6.447 7.072 1.00 0.73 O ATOM 1224 CB SER A 85 3.033 6.058 6.281 1.00 0.57 C ATOM 1225 OG SER A 85 3.088 7.137 5.359 1.00 1.37 O ATOM 0 H SER A 85 2.953 3.615 6.682 1.00 0.37 H new ATOM 0 HA SER A 85 4.715 5.317 5.208 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.140 5.463 6.090 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.944 6.450 7.294 1.00 0.57 H new ATOM 0 HG SER A 85 2.280 7.684 5.447 1.00 1.37 H new ATOM 1231 N LYS A 86 5.245 4.835 8.384 1.00 0.60 N ATOM 1232 CA LYS A 86 6.176 5.087 9.477 1.00 0.74 C ATOM 1233 C LYS A 86 7.469 4.314 9.250 1.00 0.78 C ATOM 1234 O LYS A 86 8.432 4.443 10.010 1.00 0.98 O ATOM 1235 CB LYS A 86 5.561 4.679 10.818 1.00 0.75 C ATOM 1236 CG LYS A 86 5.503 5.801 11.843 1.00 1.29 C ATOM 1237 CD LYS A 86 4.764 7.015 11.304 1.00 1.79 C ATOM 1238 CE LYS A 86 5.502 8.307 11.626 1.00 2.34 C ATOM 1239 NZ LYS A 86 4.576 9.464 11.765 1.00 3.07 N ATOM 0 H LYS A 86 4.581 4.081 8.561 1.00 0.60 H new ATOM 0 HA LYS A 86 6.392 6.155 9.503 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.551 4.308 10.644 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.137 3.852 11.233 1.00 0.75 H new ATOM 0 HG2 LYS A 86 5.007 5.444 12.746 1.00 1.29 H new ATOM 0 HG3 LYS A 86 6.516 6.087 12.127 1.00 1.29 H new ATOM 0 HD2 LYS A 86 4.647 6.921 10.224 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.762 7.051 11.731 1.00 1.79 H new ATOM 0 HE2 LYS A 86 6.065 8.181 12.551 1.00 2.34 H new ATOM 0 HE3 LYS A 86 6.226 8.516 10.838 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 5.122 10.321 11.984 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 4.057 9.602 10.874 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 3.901 9.278 12.534 1.00 3.07 H new ATOM 1253 N LYS A 87 7.471 3.506 8.199 1.00 0.75 N ATOM 1254 CA LYS A 87 8.629 2.699 7.850 1.00 0.86 C ATOM 1255 C LYS A 87 9.333 3.272 6.624 1.00 0.93 C ATOM 1256 O LYS A 87 10.556 3.182 6.502 1.00 1.11 O ATOM 1257 CB LYS A 87 8.219 1.249 7.562 1.00 0.91 C ATOM 1258 CG LYS A 87 7.270 0.640 8.585 1.00 1.01 C ATOM 1259 CD LYS A 87 7.839 -0.620 9.198 1.00 1.35 C ATOM 1260 CE LYS A 87 8.807 -0.300 10.319 1.00 2.18 C ATOM 1261 NZ LYS A 87 10.095 -1.015 10.146 1.00 2.78 N ATOM 0 H LYS A 87 6.676 3.393 7.570 1.00 0.75 H new ATOM 0 HA LYS A 87 9.311 2.715 8.700 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.748 1.207 6.580 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.118 0.635 7.510 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.067 1.367 9.371 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.317 0.413 8.107 1.00 1.01 H new ATOM 0 HD2 LYS A 87 7.028 -1.239 9.581 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.348 -1.202 8.430 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.987 0.775 10.350 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.362 -0.576 11.275 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 10.734 -0.774 10.930 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 9.925 -2.041 10.141 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.531 -0.732 9.245 1.00 2.78 H new