USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 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 69 LYS NZ :NH3+ 146:sc= 1.24 (180deg=1.08) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 56 ASN : amide:sc= 0 X(o=0.078,f=0.13) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0.0784 USER MOD Set 3.1: A 41 MET CE :methyl 154:sc= -0.573 (180deg=-2.33) USER MOD Set 3.2: A 49 MET CE :methyl -128:sc= -3.13 (180deg=-8.86!) USER MOD Single : A 14 ASN : amide:sc=-4.82e-05 X(o=-4.8e-05,f=-0.0088) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -2.57 USER MOD Single : A 28 ASN : amide:sc= 0.417 K(o=0.42,f=-4.4!) USER MOD Single : A 31 ASN : amide:sc= -0.204 K(o=-0.2,f=-3.2!) USER MOD Single : A 33 MET CE :methyl -151:sc= 0 (180deg=-1.64!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 44 SER OG : rot 180:sc= 0.106 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= 1.09 (180deg=0.036) USER MOD Single : A 55 MET CE :methyl -112:sc= -0.249 (180deg=-2.31!) USER MOD Single : A 62 THR OG1 : rot -63:sc= 0.762 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 1.26 (180deg=-0.557) USER MOD Single : A 80 THR OG1 : rot -120:sc= -0.0773 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -109:sc= 1.09 (180deg=-0.761) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 1.3 (180deg=0.923) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.739 -0.050 -1.864 1.00 0.88 N ATOM 50 CA ASN A 14 10.951 -0.293 -0.668 1.00 0.81 C ATOM 51 C ASN A 14 9.463 -0.286 -1.002 1.00 0.64 C ATOM 52 O ASN A 14 8.640 -0.772 -0.224 1.00 0.66 O ATOM 53 CB ASN A 14 11.292 0.754 0.406 1.00 0.96 C ATOM 54 CG ASN A 14 10.098 1.580 0.857 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.738 2.573 0.217 1.00 2.24 O ATOM 56 ND2 ASN A 14 9.489 1.172 1.959 1.00 2.24 N ATOM 0 HA ASN A 14 11.195 -1.278 -0.270 1.00 0.81 H new ATOM 0 HB2 ASN A 14 11.720 0.248 1.271 1.00 0.96 H new ATOM 0 HB3 ASN A 14 12.059 1.423 0.017 1.00 0.96 H new ATOM 0 HD21 ASN A 14 8.683 1.685 2.316 1.00 2.24 H new ATOM 0 HD22 ASN A 14 9.826 0.345 2.451 1.00 2.24 H new ATOM 63 N LEU A 15 9.130 0.242 -2.176 1.00 0.56 N ATOM 64 CA LEU A 15 7.749 0.300 -2.638 1.00 0.48 C ATOM 65 C LEU A 15 7.158 -1.105 -2.700 1.00 0.37 C ATOM 66 O LEU A 15 5.970 -1.310 -2.443 1.00 0.33 O ATOM 67 CB LEU A 15 7.695 0.947 -4.023 1.00 0.58 C ATOM 68 CG LEU A 15 6.550 1.932 -4.246 1.00 0.65 C ATOM 69 CD1 LEU A 15 6.982 3.018 -5.218 1.00 0.91 C ATOM 70 CD2 LEU A 15 5.316 1.207 -4.758 1.00 0.60 C ATOM 0 H LEU A 15 9.805 0.639 -2.829 1.00 0.56 H new ATOM 0 HA LEU A 15 7.165 0.898 -1.938 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.637 1.467 -4.199 1.00 0.58 H new ATOM 0 HB3 LEU A 15 7.622 0.157 -4.771 1.00 0.58 H new ATOM 0 HG LEU A 15 6.295 2.399 -3.295 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.160 3.717 -5.372 1.00 0.91 H new ATOM 0 HD12 LEU A 15 7.840 3.552 -4.809 1.00 0.91 H new ATOM 0 HD13 LEU A 15 7.257 2.565 -6.171 1.00 0.91 H new ATOM 0 HD21 LEU A 15 4.510 1.924 -4.911 1.00 0.60 H new ATOM 0 HD22 LEU A 15 5.549 0.715 -5.703 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.003 0.461 -4.028 1.00 0.60 H new ATOM 82 N ARG A 16 8.013 -2.066 -3.027 1.00 0.36 N ATOM 83 CA ARG A 16 7.616 -3.464 -3.117 1.00 0.33 C ATOM 84 C ARG A 16 7.173 -3.983 -1.748 1.00 0.27 C ATOM 85 O ARG A 16 6.218 -4.753 -1.647 1.00 0.28 O ATOM 86 CB ARG A 16 8.778 -4.296 -3.676 1.00 0.40 C ATOM 87 CG ARG A 16 8.884 -5.701 -3.092 1.00 0.65 C ATOM 88 CD ARG A 16 8.209 -6.732 -3.984 1.00 1.29 C ATOM 89 NE ARG A 16 8.395 -8.095 -3.483 1.00 2.05 N ATOM 90 CZ ARG A 16 7.436 -8.839 -2.925 1.00 2.78 C ATOM 91 NH1 ARG A 16 6.198 -8.367 -2.807 1.00 3.11 N ATOM 92 NH2 ARG A 16 7.723 -10.057 -2.486 1.00 3.67 N ATOM 0 H ARG A 16 8.997 -1.899 -3.236 1.00 0.36 H new ATOM 0 HA ARG A 16 6.768 -3.554 -3.796 1.00 0.33 H new ATOM 0 HB2 ARG A 16 8.667 -4.373 -4.758 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.712 -3.766 -3.488 1.00 0.40 H new ATOM 0 HG2 ARG A 16 9.934 -5.963 -2.962 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.426 -5.720 -2.103 1.00 0.65 H new ATOM 0 HD2 ARG A 16 7.143 -6.512 -4.050 1.00 1.29 H new ATOM 0 HD3 ARG A 16 8.613 -6.658 -4.994 1.00 1.29 H new ATOM 0 HE ARG A 16 9.325 -8.507 -3.566 1.00 2.05 H new ATOM 0 HH11 ARG A 16 5.975 -7.430 -3.144 1.00 3.11 H new ATOM 0 HH12 ARG A 16 5.472 -8.942 -2.380 1.00 3.11 H new ATOM 0 HH21 ARG A 16 8.672 -10.421 -2.575 1.00 3.67 H new ATOM 0 HH22 ARG A 16 6.995 -10.630 -2.059 1.00 3.67 H new ATOM 106 N MET A 17 7.862 -3.544 -0.696 1.00 0.28 N ATOM 107 CA MET A 17 7.530 -3.958 0.666 1.00 0.32 C ATOM 108 C MET A 17 6.135 -3.467 1.039 1.00 0.25 C ATOM 109 O MET A 17 5.330 -4.212 1.613 1.00 0.27 O ATOM 110 CB MET A 17 8.565 -3.403 1.652 1.00 0.45 C ATOM 111 CG MET A 17 9.280 -4.471 2.454 1.00 0.81 C ATOM 112 SD MET A 17 10.965 -4.752 1.874 1.00 1.96 S ATOM 113 CE MET A 17 11.010 -6.541 1.815 1.00 2.93 C ATOM 0 H MET A 17 8.652 -2.903 -0.760 1.00 0.28 H new ATOM 0 HA MET A 17 7.544 -5.047 0.716 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.303 -2.821 1.100 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.068 -2.718 2.339 1.00 0.45 H new ATOM 0 HG2 MET A 17 9.304 -4.179 3.504 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.718 -5.403 2.395 1.00 0.81 H new ATOM 0 HE1 MET A 17 11.992 -6.869 1.473 1.00 2.93 H new ATOM 0 HE2 MET A 17 10.819 -6.943 2.810 1.00 2.93 H new ATOM 0 HE3 MET A 17 10.246 -6.902 1.126 1.00 2.93 H new ATOM 123 N THR A 18 5.855 -2.218 0.688 1.00 0.21 N ATOM 124 CA THR A 18 4.559 -1.606 0.961 1.00 0.20 C ATOM 125 C THR A 18 3.445 -2.341 0.218 1.00 0.19 C ATOM 126 O THR A 18 2.434 -2.726 0.809 1.00 0.23 O ATOM 127 CB THR A 18 4.570 -0.119 0.541 1.00 0.27 C ATOM 128 OG1 THR A 18 5.749 0.524 1.050 1.00 0.38 O ATOM 129 CG2 THR A 18 3.336 0.597 1.051 1.00 0.30 C ATOM 0 H THR A 18 6.514 -1.604 0.209 1.00 0.21 H new ATOM 0 HA THR A 18 4.371 -1.676 2.032 1.00 0.20 H new ATOM 0 HB THR A 18 4.571 -0.071 -0.548 1.00 0.27 H new ATOM 0 HG1 THR A 18 5.751 1.466 0.779 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.368 1.642 0.742 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.445 0.124 0.639 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.307 0.541 2.139 1.00 0.30 H new ATOM 137 N TYR A 19 3.659 -2.540 -1.075 1.00 0.21 N ATOM 138 CA TYR A 19 2.707 -3.235 -1.930 1.00 0.28 C ATOM 139 C TYR A 19 2.451 -4.663 -1.438 1.00 0.31 C ATOM 140 O TYR A 19 1.335 -5.179 -1.544 1.00 0.36 O ATOM 141 CB TYR A 19 3.237 -3.262 -3.369 1.00 0.35 C ATOM 142 CG TYR A 19 2.344 -3.988 -4.351 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.282 -3.345 -4.978 1.00 0.32 C ATOM 144 CD2 TYR A 19 2.574 -5.320 -4.661 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.470 -4.018 -5.877 1.00 0.39 C ATOM 146 CE2 TYR A 19 1.771 -5.997 -5.553 1.00 0.59 C ATOM 147 CZ TYR A 19 0.722 -5.343 -6.162 1.00 0.52 C ATOM 148 OH TYR A 19 -0.075 -6.025 -7.054 1.00 0.61 O ATOM 0 H TYR A 19 4.498 -2.224 -1.561 1.00 0.21 H new ATOM 0 HA TYR A 19 1.760 -2.697 -1.896 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.375 -2.236 -3.712 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.219 -3.734 -3.373 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.087 -2.305 -4.761 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.399 -5.837 -4.194 1.00 0.52 H new ATOM 0 HE1 TYR A 19 -0.355 -3.508 -6.351 1.00 0.39 H new ATOM 0 HE2 TYR A 19 1.963 -7.037 -5.774 1.00 0.59 H new ATOM 0 HH TYR A 19 0.244 -6.948 -7.139 1.00 0.61 H new ATOM 158 N GLU A 20 3.491 -5.299 -0.916 1.00 0.32 N ATOM 159 CA GLU A 20 3.406 -6.657 -0.426 1.00 0.40 C ATOM 160 C GLU A 20 2.503 -6.751 0.804 1.00 0.35 C ATOM 161 O GLU A 20 1.593 -7.586 0.843 1.00 0.35 O ATOM 162 CB GLU A 20 4.821 -7.159 -0.114 1.00 0.51 C ATOM 163 CG GLU A 20 4.856 -8.349 0.810 1.00 1.21 C ATOM 164 CD GLU A 20 4.522 -9.647 0.100 1.00 1.65 C ATOM 165 OE1 GLU A 20 4.607 -9.693 -1.149 1.00 1.93 O ATOM 166 OE2 GLU A 20 4.184 -10.634 0.783 1.00 2.35 O ATOM 0 H GLU A 20 4.417 -4.882 -0.823 1.00 0.32 H new ATOM 0 HA GLU A 20 2.958 -7.288 -1.193 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.317 -7.422 -1.048 1.00 0.51 H new ATOM 0 HB3 GLU A 20 5.394 -6.347 0.333 1.00 0.51 H new ATOM 0 HG2 GLU A 20 5.847 -8.428 1.257 1.00 1.21 H new ATOM 0 HG3 GLU A 20 4.150 -8.193 1.625 1.00 1.21 H new ATOM 173 N ARG A 21 2.737 -5.898 1.800 1.00 0.33 N ATOM 174 CA ARG A 21 1.923 -5.912 3.018 1.00 0.32 C ATOM 175 C ARG A 21 0.461 -5.596 2.697 1.00 0.26 C ATOM 176 O ARG A 21 -0.453 -6.113 3.342 1.00 0.29 O ATOM 177 CB ARG A 21 2.472 -4.917 4.044 1.00 0.34 C ATOM 178 CG ARG A 21 2.284 -5.373 5.481 1.00 0.48 C ATOM 179 CD ARG A 21 3.381 -6.339 5.908 1.00 0.87 C ATOM 180 NE ARG A 21 3.018 -7.736 5.670 1.00 1.73 N ATOM 181 CZ ARG A 21 3.726 -8.567 4.898 1.00 2.60 C ATOM 182 NH1 ARG A 21 4.812 -8.125 4.266 1.00 2.99 N ATOM 183 NH2 ARG A 21 3.359 -9.835 4.761 1.00 3.57 N ATOM 0 H ARG A 21 3.475 -5.194 1.790 1.00 0.33 H new ATOM 0 HA ARG A 21 1.971 -6.913 3.447 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.534 -4.760 3.856 1.00 0.34 H new ATOM 0 HB3 ARG A 21 1.978 -3.955 3.908 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.284 -4.506 6.142 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.312 -5.855 5.587 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.297 -6.107 5.365 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.594 -6.197 6.968 1.00 0.87 H new ATOM 0 HE ARG A 21 2.176 -8.097 6.119 1.00 1.73 H new ATOM 0 HH11 ARG A 21 5.103 -7.153 4.371 1.00 2.99 H new ATOM 0 HH12 ARG A 21 5.353 -8.758 3.677 1.00 2.99 H new ATOM 0 HH21 ARG A 21 2.532 -10.182 5.246 1.00 3.57 H new ATOM 0 HH22 ARG A 21 3.904 -10.463 4.170 1.00 3.57 H new ATOM 197 N LEU A 22 0.258 -4.765 1.681 1.00 0.22 N ATOM 198 CA LEU A 22 -1.079 -4.387 1.237 1.00 0.20 C ATOM 199 C LEU A 22 -1.747 -5.546 0.506 1.00 0.23 C ATOM 200 O LEU A 22 -2.947 -5.767 0.648 1.00 0.24 O ATOM 201 CB LEU A 22 -0.994 -3.188 0.286 1.00 0.22 C ATOM 202 CG LEU A 22 -0.998 -1.814 0.940 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.265 -0.810 0.059 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.433 -1.376 1.192 1.00 0.33 C ATOM 0 H LEU A 22 1.012 -4.336 1.144 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.669 -4.125 2.116 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.084 -3.284 -0.306 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.833 -3.240 -0.408 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.477 -1.864 1.896 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.275 0.169 0.538 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.766 -1.135 -0.082 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.761 -0.745 -0.909 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.436 -0.392 1.660 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.971 -1.329 0.245 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.922 -2.093 1.851 1.00 0.33 H new ATOM 216 N ARG A 23 -0.962 -6.281 -0.277 1.00 0.27 N ATOM 217 CA ARG A 23 -1.481 -7.415 -1.032 1.00 0.32 C ATOM 218 C ARG A 23 -1.859 -8.548 -0.091 1.00 0.31 C ATOM 219 O ARG A 23 -2.895 -9.193 -0.263 1.00 0.34 O ATOM 220 CB ARG A 23 -0.448 -7.901 -2.060 1.00 0.39 C ATOM 221 CG ARG A 23 -0.852 -9.183 -2.781 1.00 0.82 C ATOM 222 CD ARG A 23 -1.448 -8.909 -4.157 1.00 1.40 C ATOM 223 NE ARG A 23 -1.910 -10.137 -4.805 1.00 1.98 N ATOM 224 CZ ARG A 23 -3.127 -10.299 -5.326 1.00 2.61 C ATOM 225 NH1 ARG A 23 -3.985 -9.284 -5.364 1.00 3.01 N ATOM 226 NH2 ARG A 23 -3.469 -11.472 -5.843 1.00 3.33 N ATOM 0 H ARG A 23 0.036 -6.111 -0.404 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.373 -7.090 -1.567 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.287 -7.115 -2.798 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.504 -8.064 -1.555 1.00 0.39 H new ATOM 0 HG2 ARG A 23 0.020 -9.828 -2.887 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.577 -9.725 -2.175 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -2.282 -8.214 -4.060 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -0.701 -8.425 -4.786 1.00 1.40 H new ATOM 0 HE ARG A 23 -1.259 -10.920 -4.862 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -3.714 -8.373 -4.993 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -4.914 -9.416 -5.764 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -2.803 -12.244 -5.841 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -4.398 -11.602 -6.243 1.00 3.33 H new ATOM 240 N GLU A 24 -1.028 -8.777 0.918 1.00 0.31 N ATOM 241 CA GLU A 24 -1.293 -9.827 1.890 1.00 0.33 C ATOM 242 C GLU A 24 -2.510 -9.467 2.728 1.00 0.28 C ATOM 243 O GLU A 24 -3.320 -10.323 3.078 1.00 0.30 O ATOM 244 CB GLU A 24 -0.083 -10.040 2.797 1.00 0.38 C ATOM 245 CG GLU A 24 -0.180 -11.281 3.652 1.00 0.61 C ATOM 246 CD GLU A 24 0.122 -11.004 5.107 1.00 1.63 C ATOM 247 OE1 GLU A 24 -0.763 -10.493 5.821 1.00 2.36 O ATOM 248 OE2 GLU A 24 1.249 -11.298 5.551 1.00 2.24 O ATOM 0 H GLU A 24 -0.169 -8.252 1.083 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.490 -10.753 1.350 1.00 0.33 H new ATOM 0 HB2 GLU A 24 0.815 -10.102 2.182 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.033 -9.171 3.444 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -1.182 -11.701 3.565 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.514 -12.033 3.276 1.00 0.61 H new ATOM 255 N LEU A 25 -2.646 -8.189 3.032 1.00 0.24 N ATOM 256 CA LEU A 25 -3.771 -7.715 3.819 1.00 0.22 C ATOM 257 C LEU A 25 -5.039 -7.753 2.975 1.00 0.18 C ATOM 258 O LEU A 25 -6.131 -8.036 3.475 1.00 0.20 O ATOM 259 CB LEU A 25 -3.505 -6.291 4.307 1.00 0.22 C ATOM 260 CG LEU A 25 -3.879 -5.990 5.766 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.598 -4.665 5.874 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.739 -7.088 6.372 1.00 0.28 C ATOM 0 H LEU A 25 -1.992 -7.460 2.746 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.901 -8.363 4.686 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.445 -6.077 4.175 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -4.052 -5.601 3.664 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.946 -5.942 6.327 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.853 -4.473 6.916 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.951 -3.869 5.506 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.510 -4.696 5.277 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.980 -6.834 7.404 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.660 -7.187 5.798 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -4.194 -8.032 6.349 1.00 0.28 H new ATOM 274 N SER A 26 -4.881 -7.474 1.685 1.00 0.17 N ATOM 275 CA SER A 26 -5.992 -7.476 0.752 1.00 0.16 C ATOM 276 C SER A 26 -6.550 -8.888 0.591 1.00 0.19 C ATOM 277 O SER A 26 -7.752 -9.074 0.422 1.00 0.22 O ATOM 278 CB SER A 26 -5.524 -6.899 -0.590 1.00 0.19 C ATOM 279 OG SER A 26 -5.986 -5.575 -0.765 1.00 0.86 O ATOM 0 H SER A 26 -3.982 -7.242 1.263 1.00 0.17 H new ATOM 0 HA SER A 26 -6.798 -6.851 1.137 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.435 -6.916 -0.637 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.888 -7.525 -1.405 1.00 0.19 H new ATOM 0 HG SER A 26 -5.673 -5.230 -1.627 1.00 0.86 H new ATOM 285 N LEU A 27 -5.680 -9.886 0.680 1.00 0.23 N ATOM 286 CA LEU A 27 -6.119 -11.273 0.574 1.00 0.28 C ATOM 287 C LEU A 27 -6.667 -11.742 1.922 1.00 0.29 C ATOM 288 O LEU A 27 -7.574 -12.573 1.985 1.00 0.34 O ATOM 289 CB LEU A 27 -4.962 -12.181 0.129 1.00 0.33 C ATOM 290 CG LEU A 27 -4.936 -12.514 -1.364 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.641 -11.263 -2.178 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.908 -13.600 -1.663 1.00 0.60 C ATOM 0 H LEU A 27 -4.677 -9.765 0.824 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.906 -11.333 -0.178 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -4.021 -11.700 0.395 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -5.014 -13.113 0.692 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.918 -12.892 -1.647 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.625 -11.514 -3.239 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.415 -10.518 -1.993 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.671 -10.859 -1.886 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -3.909 -13.818 -2.731 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.918 -13.256 -1.364 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.161 -14.503 -1.108 1.00 0.60 H new ATOM 304 N ASN A 28 -6.096 -11.204 2.995 1.00 0.28 N ATOM 305 CA ASN A 28 -6.497 -11.555 4.356 1.00 0.35 C ATOM 306 C ASN A 28 -7.908 -11.080 4.645 1.00 0.35 C ATOM 307 O ASN A 28 -8.798 -11.882 4.919 1.00 0.42 O ATOM 308 CB ASN A 28 -5.530 -10.925 5.361 1.00 0.41 C ATOM 309 CG ASN A 28 -4.783 -11.940 6.198 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.292 -12.445 7.202 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.563 -12.241 5.795 1.00 1.31 N ATOM 0 H ASN A 28 -5.345 -10.515 2.948 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.470 -12.641 4.450 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.810 -10.309 4.823 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -6.087 -10.261 6.022 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -3.004 -12.914 6.320 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.179 -11.801 4.959 1.00 1.31 H new ATOM 318 N LEU A 29 -8.110 -9.768 4.573 1.00 0.33 N ATOM 319 CA LEU A 29 -9.422 -9.185 4.818 1.00 0.38 C ATOM 320 C LEU A 29 -10.380 -9.572 3.699 1.00 0.40 C ATOM 321 O LEU A 29 -11.577 -9.724 3.915 1.00 0.49 O ATOM 322 CB LEU A 29 -9.326 -7.664 4.890 1.00 0.40 C ATOM 323 CG LEU A 29 -8.437 -7.105 5.997 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.852 -5.778 5.567 1.00 0.36 C ATOM 325 CD2 LEU A 29 -9.222 -6.931 7.285 1.00 0.39 C ATOM 0 H LEU A 29 -7.382 -9.090 4.347 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.794 -9.566 5.769 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.956 -7.297 3.933 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.331 -7.261 5.019 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.629 -7.814 6.180 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.219 -5.385 6.362 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -7.257 -5.918 4.665 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.659 -5.073 5.364 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.567 -6.531 8.059 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -10.048 -6.240 7.117 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.615 -7.896 7.605 1.00 0.39 H new ATOM 337 N GLY A 30 -9.833 -9.706 2.497 1.00 0.35 N ATOM 338 CA GLY A 30 -10.633 -10.052 1.340 1.00 0.43 C ATOM 339 C GLY A 30 -11.283 -11.422 1.442 1.00 0.53 C ATOM 340 O GLY A 30 -12.457 -11.573 1.114 1.00 0.65 O ATOM 0 H GLY A 30 -8.840 -9.580 2.303 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.410 -9.299 1.206 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.004 -10.022 0.451 1.00 0.43 H new ATOM 344 N ASN A 31 -10.533 -12.432 1.884 1.00 0.53 N ATOM 345 CA ASN A 31 -11.098 -13.774 1.995 1.00 0.66 C ATOM 346 C ASN A 31 -11.873 -13.945 3.294 1.00 0.71 C ATOM 347 O ASN A 31 -12.632 -14.903 3.456 1.00 0.84 O ATOM 348 CB ASN A 31 -10.001 -14.836 1.893 1.00 0.70 C ATOM 349 CG ASN A 31 -10.509 -16.132 1.287 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.600 -16.180 0.724 1.00 1.94 O ATOM 351 ND2 ASN A 31 -9.721 -17.194 1.387 1.00 1.52 N ATOM 0 H ASN A 31 -9.556 -12.350 2.165 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.792 -13.906 1.165 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.181 -14.451 1.287 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.598 -15.035 2.886 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.015 -18.086 0.990 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -8.821 -17.119 1.861 1.00 1.52 H new ATOM 358 N ARG A 32 -11.707 -12.998 4.205 1.00 0.66 N ATOM 359 CA ARG A 32 -12.408 -13.043 5.478 1.00 0.77 C ATOM 360 C ARG A 32 -13.732 -12.298 5.372 1.00 0.86 C ATOM 361 O ARG A 32 -14.531 -12.281 6.308 1.00 1.01 O ATOM 362 CB ARG A 32 -11.545 -12.449 6.593 1.00 0.76 C ATOM 363 CG ARG A 32 -11.620 -13.227 7.894 1.00 0.91 C ATOM 364 CD ARG A 32 -10.346 -13.066 8.705 1.00 1.14 C ATOM 365 NE ARG A 32 -9.604 -14.315 8.840 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.362 -14.477 8.397 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.753 -13.504 7.737 1.00 2.70 N ATOM 368 NH2 ARG A 32 -7.726 -15.618 8.586 1.00 3.82 N ATOM 0 H ARG A 32 -11.094 -12.191 4.086 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.611 -14.085 5.726 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.508 -12.413 6.259 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.857 -11.421 6.775 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.472 -12.881 8.479 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.787 -14.283 7.680 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -9.710 -12.319 8.230 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.596 -12.688 9.696 1.00 1.14 H new ATOM 0 HE ARG A 32 -10.062 -15.103 9.297 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -8.238 -12.623 7.566 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.799 -13.636 7.400 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -8.188 -16.384 9.076 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -6.773 -15.733 8.242 1.00 3.82 H new ATOM 382 N MET A 33 -13.966 -11.694 4.215 1.00 0.83 N ATOM 383 CA MET A 33 -15.202 -10.965 3.968 1.00 0.96 C ATOM 384 C MET A 33 -16.229 -11.889 3.327 1.00 1.17 C ATOM 385 O MET A 33 -15.865 -12.885 2.699 1.00 1.55 O ATOM 386 CB MET A 33 -14.950 -9.768 3.044 1.00 0.80 C ATOM 387 CG MET A 33 -15.720 -8.513 3.437 1.00 0.95 C ATOM 388 SD MET A 33 -14.908 -6.993 2.897 1.00 1.18 S ATOM 389 CE MET A 33 -13.574 -6.886 4.088 1.00 1.84 C ATOM 0 H MET A 33 -13.314 -11.695 3.431 1.00 0.83 H new ATOM 0 HA MET A 33 -15.581 -10.600 4.923 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.884 -9.542 3.040 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.221 -10.045 2.025 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.721 -8.557 3.007 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.839 -8.490 4.520 1.00 0.95 H new ATOM 0 HE1 MET A 33 -13.312 -5.840 4.247 1.00 1.84 H new ATOM 0 HE2 MET A 33 -13.893 -7.328 5.032 1.00 1.84 H new ATOM 0 HE3 MET A 33 -12.705 -7.425 3.710 1.00 1.84 H new ATOM 399 N VAL A 34 -17.506 -11.558 3.482 1.00 1.22 N ATOM 400 CA VAL A 34 -18.587 -12.350 2.905 1.00 1.41 C ATOM 401 C VAL A 34 -19.580 -11.445 2.168 1.00 1.54 C ATOM 402 O VAL A 34 -20.250 -10.616 2.792 1.00 1.66 O ATOM 403 CB VAL A 34 -19.347 -13.164 3.978 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.595 -13.800 3.379 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.446 -14.232 4.570 1.00 1.64 C ATOM 0 H VAL A 34 -17.820 -10.741 4.006 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.128 -13.048 2.205 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.651 -12.484 4.774 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -21.118 -14.369 4.148 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -21.252 -13.020 2.995 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -20.309 -14.467 2.565 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.996 -14.796 5.323 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -18.115 -14.908 3.781 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.578 -13.761 5.031 1.00 1.64 H new ATOM 415 N PRO A 35 -19.686 -11.568 0.831 1.00 1.58 N ATOM 416 CA PRO A 35 -18.902 -12.532 0.041 1.00 1.51 C ATOM 417 C PRO A 35 -17.433 -12.121 -0.090 1.00 1.32 C ATOM 418 O PRO A 35 -17.110 -10.926 -0.062 1.00 1.30 O ATOM 419 CB PRO A 35 -19.593 -12.508 -1.328 1.00 1.71 C ATOM 420 CG PRO A 35 -20.194 -11.150 -1.422 1.00 1.86 C ATOM 421 CD PRO A 35 -20.601 -10.778 -0.023 1.00 1.75 C ATOM 0 HA PRO A 35 -18.877 -13.518 0.505 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -18.881 -12.683 -2.134 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.355 -13.284 -1.401 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -19.477 -10.433 -1.823 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.054 -11.150 -2.092 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.491 -9.708 0.155 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.644 -11.028 0.170 1.00 1.75 H new ATOM 429 N PRO A 36 -16.518 -13.106 -0.222 1.00 1.22 N ATOM 430 CA PRO A 36 -15.081 -12.840 -0.352 1.00 1.08 C ATOM 431 C PRO A 36 -14.763 -11.944 -1.540 1.00 1.17 C ATOM 432 O PRO A 36 -15.321 -12.106 -2.630 1.00 1.42 O ATOM 433 CB PRO A 36 -14.468 -14.225 -0.549 1.00 1.12 C ATOM 434 CG PRO A 36 -15.467 -15.164 0.022 1.00 1.14 C ATOM 435 CD PRO A 36 -16.805 -14.549 -0.250 1.00 1.27 C ATOM 0 HA PRO A 36 -14.690 -12.311 0.517 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.288 -14.432 -1.604 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.508 -14.310 -0.039 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.388 -16.148 -0.440 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.309 -15.300 1.092 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.205 -14.862 -1.214 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.539 -14.829 0.505 1.00 1.27 H new ATOM 443 N VAL A 37 -13.870 -10.996 -1.315 1.00 0.99 N ATOM 444 CA VAL A 37 -13.466 -10.055 -2.343 1.00 1.08 C ATOM 445 C VAL A 37 -12.256 -10.570 -3.097 1.00 1.24 C ATOM 446 O VAL A 37 -11.185 -10.758 -2.514 1.00 2.02 O ATOM 447 CB VAL A 37 -13.125 -8.666 -1.761 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.784 -7.571 -2.579 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.550 -8.571 -0.304 1.00 0.81 C ATOM 0 H VAL A 37 -13.406 -10.858 -0.417 1.00 0.99 H new ATOM 0 HA VAL A 37 -14.316 -9.953 -3.018 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.044 -8.533 -1.810 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.533 -6.599 -2.155 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.428 -7.621 -3.608 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.866 -7.706 -2.563 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.300 -7.584 0.084 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.626 -8.729 -0.228 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.030 -9.332 0.277 1.00 0.81 H new ATOM 459 N GLY A 38 -12.424 -10.786 -4.392 1.00 1.18 N ATOM 460 CA GLY A 38 -11.323 -11.264 -5.205 1.00 1.27 C ATOM 461 C GLY A 38 -10.295 -10.174 -5.431 1.00 1.09 C ATOM 462 O GLY A 38 -9.127 -10.447 -5.728 1.00 1.23 O ATOM 0 H GLY A 38 -13.299 -10.640 -4.895 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.851 -12.117 -4.717 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -11.702 -11.615 -6.165 1.00 1.27 H new ATOM 466 N ASN A 39 -10.737 -8.937 -5.267 1.00 0.92 N ATOM 467 CA ASN A 39 -9.883 -7.771 -5.428 1.00 0.82 C ATOM 468 C ASN A 39 -10.220 -6.741 -4.359 1.00 0.64 C ATOM 469 O ASN A 39 -10.868 -5.730 -4.638 1.00 0.74 O ATOM 470 CB ASN A 39 -10.043 -7.150 -6.827 1.00 0.99 C ATOM 471 CG ASN A 39 -11.465 -7.242 -7.357 1.00 1.44 C ATOM 472 OD1 ASN A 39 -12.429 -6.884 -6.671 1.00 2.12 O ATOM 473 ND2 ASN A 39 -11.611 -7.724 -8.578 1.00 2.13 N ATOM 0 H ASN A 39 -11.700 -8.713 -5.018 1.00 0.92 H new ATOM 0 HA ASN A 39 -8.846 -8.087 -5.319 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.741 -6.103 -6.791 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -9.369 -7.652 -7.521 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -12.543 -7.811 -8.984 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.792 -8.010 -9.115 1.00 2.13 H new ATOM 480 N PHE A 40 -9.769 -7.012 -3.131 1.00 0.46 N ATOM 481 CA PHE A 40 -9.997 -6.120 -1.993 1.00 0.32 C ATOM 482 C PHE A 40 -9.629 -4.697 -2.401 1.00 0.28 C ATOM 483 O PHE A 40 -10.460 -3.788 -2.379 1.00 0.52 O ATOM 484 CB PHE A 40 -9.141 -6.590 -0.817 1.00 0.24 C ATOM 485 CG PHE A 40 -9.395 -5.898 0.493 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.650 -5.906 1.076 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.354 -5.276 1.163 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.859 -5.295 2.300 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.552 -4.674 2.384 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.807 -4.680 2.955 1.00 0.33 C ATOM 0 H PHE A 40 -9.238 -7.852 -2.899 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.044 -6.138 -1.691 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.302 -7.659 -0.679 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.091 -6.457 -1.080 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.472 -6.393 0.572 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.370 -5.264 0.719 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.844 -5.298 2.744 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.727 -4.198 2.894 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.968 -4.206 3.912 1.00 0.33 H new ATOM 500 N MET A 41 -8.392 -4.541 -2.843 1.00 0.22 N ATOM 501 CA MET A 41 -7.902 -3.277 -3.342 1.00 0.18 C ATOM 502 C MET A 41 -7.239 -3.542 -4.690 1.00 0.20 C ATOM 503 O MET A 41 -6.384 -4.417 -4.786 1.00 0.24 O ATOM 504 CB MET A 41 -6.912 -2.660 -2.359 1.00 0.17 C ATOM 505 CG MET A 41 -6.763 -1.155 -2.504 1.00 0.21 C ATOM 506 SD MET A 41 -8.350 -0.301 -2.639 1.00 0.28 S ATOM 507 CE MET A 41 -8.493 0.393 -0.995 1.00 0.25 C ATOM 0 H MET A 41 -7.702 -5.292 -2.864 1.00 0.22 H new ATOM 0 HA MET A 41 -8.721 -2.568 -3.459 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.233 -2.888 -1.343 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.937 -3.128 -2.498 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.218 -0.764 -1.645 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.163 -0.938 -3.388 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.121 1.283 -1.029 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.942 -0.342 -0.327 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.503 0.662 -0.626 1.00 0.25 H new ATOM 517 N PRO A 42 -7.649 -2.841 -5.757 1.00 0.20 N ATOM 518 CA PRO A 42 -7.093 -3.064 -7.091 1.00 0.24 C ATOM 519 C PRO A 42 -5.595 -2.790 -7.146 1.00 0.21 C ATOM 520 O PRO A 42 -5.110 -1.845 -6.528 1.00 0.20 O ATOM 521 CB PRO A 42 -7.863 -2.080 -7.978 1.00 0.29 C ATOM 522 CG PRO A 42 -9.088 -1.747 -7.210 1.00 0.27 C ATOM 523 CD PRO A 42 -8.701 -1.814 -5.766 1.00 0.23 C ATOM 0 HA PRO A 42 -7.200 -4.102 -7.408 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.271 -1.188 -8.183 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.110 -2.527 -8.941 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.454 -0.754 -7.470 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.891 -2.450 -7.432 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.333 -0.855 -5.401 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.544 -2.093 -5.134 1.00 0.23 H new ATOM 531 N ASP A 43 -4.867 -3.629 -7.878 1.00 0.23 N ATOM 532 CA ASP A 43 -3.414 -3.493 -8.004 1.00 0.23 C ATOM 533 C ASP A 43 -3.005 -2.071 -8.386 1.00 0.22 C ATOM 534 O ASP A 43 -2.004 -1.557 -7.895 1.00 0.23 O ATOM 535 CB ASP A 43 -2.869 -4.486 -9.038 1.00 0.29 C ATOM 536 CG ASP A 43 -3.096 -4.028 -10.464 1.00 0.78 C ATOM 537 OD1 ASP A 43 -4.266 -3.990 -10.897 1.00 1.51 O ATOM 538 OD2 ASP A 43 -2.113 -3.690 -11.156 1.00 1.08 O ATOM 0 H ASP A 43 -5.260 -4.415 -8.396 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.984 -3.715 -7.027 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -1.801 -4.628 -8.872 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.346 -5.455 -8.892 1.00 0.29 H new ATOM 543 N SER A 44 -3.786 -1.441 -9.257 1.00 0.23 N ATOM 544 CA SER A 44 -3.512 -0.086 -9.702 1.00 0.25 C ATOM 545 C SER A 44 -3.530 0.890 -8.524 1.00 0.23 C ATOM 546 O SER A 44 -2.673 1.773 -8.412 1.00 0.26 O ATOM 547 CB SER A 44 -4.545 0.322 -10.755 1.00 0.32 C ATOM 548 OG SER A 44 -5.105 -0.832 -11.372 1.00 0.57 O ATOM 0 H SER A 44 -4.621 -1.855 -9.670 1.00 0.23 H new ATOM 0 HA SER A 44 -2.516 -0.054 -10.144 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.334 0.913 -10.290 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.076 0.954 -11.509 1.00 0.32 H new ATOM 0 HG SER A 44 -5.765 -0.557 -12.042 1.00 0.57 H new ATOM 554 N ILE A 45 -4.493 0.703 -7.631 1.00 0.21 N ATOM 555 CA ILE A 45 -4.615 1.547 -6.448 1.00 0.21 C ATOM 556 C ILE A 45 -3.576 1.145 -5.401 1.00 0.17 C ATOM 557 O ILE A 45 -3.005 2.002 -4.733 1.00 0.18 O ATOM 558 CB ILE A 45 -6.031 1.466 -5.817 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.099 1.908 -6.831 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.111 2.305 -4.539 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.285 3.408 -6.920 1.00 0.34 C ATOM 0 H ILE A 45 -5.202 -0.026 -7.703 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.444 2.574 -6.770 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.224 0.428 -5.547 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.829 1.527 -7.816 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.051 1.450 -6.562 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.113 2.231 -4.117 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.384 1.936 -3.815 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.892 3.347 -4.773 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.055 3.636 -7.657 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.587 3.795 -5.947 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.346 3.874 -7.220 1.00 0.34 H new ATOM 573 N LEU A 46 -3.319 -0.161 -5.287 1.00 0.16 N ATOM 574 CA LEU A 46 -2.332 -0.671 -4.336 1.00 0.16 C ATOM 575 C LEU A 46 -0.954 -0.081 -4.639 1.00 0.16 C ATOM 576 O LEU A 46 -0.168 0.184 -3.732 1.00 0.19 O ATOM 577 CB LEU A 46 -2.245 -2.210 -4.395 1.00 0.18 C ATOM 578 CG LEU A 46 -3.446 -2.997 -3.869 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.393 -4.419 -4.381 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.478 -3.006 -2.361 1.00 0.19 C ATOM 0 H LEU A 46 -3.781 -0.882 -5.841 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.650 -0.374 -3.337 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -2.079 -2.500 -5.433 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.365 -2.521 -3.833 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.351 -2.508 -4.228 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.251 -4.974 -4.003 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.416 -4.414 -5.471 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.474 -4.895 -4.039 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.343 -3.573 -2.019 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.567 -3.469 -1.981 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.546 -1.982 -1.992 1.00 0.19 H new ATOM 592 N LYS A 47 -0.674 0.118 -5.920 1.00 0.17 N ATOM 593 CA LYS A 47 0.598 0.658 -6.356 1.00 0.19 C ATOM 594 C LYS A 47 0.720 2.152 -6.073 1.00 0.18 C ATOM 595 O LYS A 47 1.750 2.592 -5.570 1.00 0.20 O ATOM 596 CB LYS A 47 0.790 0.378 -7.845 1.00 0.24 C ATOM 597 CG LYS A 47 1.053 -1.089 -8.146 1.00 0.31 C ATOM 598 CD LYS A 47 1.552 -1.302 -9.562 1.00 0.44 C ATOM 599 CE LYS A 47 2.923 -1.958 -9.571 1.00 0.88 C ATOM 600 NZ LYS A 47 2.997 -3.096 -10.528 1.00 0.97 N ATOM 0 H LYS A 47 -1.322 -0.091 -6.680 1.00 0.17 H new ATOM 0 HA LYS A 47 1.384 0.163 -5.785 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.099 0.700 -8.387 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.623 0.974 -8.216 1.00 0.24 H new ATOM 0 HG2 LYS A 47 1.788 -1.477 -7.441 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.136 -1.659 -7.996 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.845 -1.925 -10.109 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.601 -0.345 -10.081 1.00 0.44 H new ATOM 0 HE2 LYS A 47 3.677 -1.216 -9.833 1.00 0.88 H new ATOM 0 HE3 LYS A 47 3.160 -2.313 -8.568 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 3.950 -3.512 -10.500 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 2.296 -3.818 -10.264 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 2.797 -2.754 -11.490 1.00 0.97 H new ATOM 614 N LYS A 48 -0.319 2.936 -6.365 1.00 0.17 N ATOM 615 CA LYS A 48 -0.238 4.370 -6.093 1.00 0.18 C ATOM 616 C LYS A 48 -0.270 4.632 -4.588 1.00 0.18 C ATOM 617 O LYS A 48 0.451 5.489 -4.085 1.00 0.20 O ATOM 618 CB LYS A 48 -1.357 5.169 -6.772 1.00 0.20 C ATOM 619 CG LYS A 48 -2.701 4.474 -6.776 1.00 0.31 C ATOM 620 CD LYS A 48 -3.793 5.371 -7.336 1.00 0.32 C ATOM 621 CE LYS A 48 -3.762 5.411 -8.860 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.407 6.638 -9.411 1.00 0.77 N ATOM 0 H LYS A 48 -1.197 2.617 -6.775 1.00 0.17 H new ATOM 0 HA LYS A 48 0.710 4.709 -6.512 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.459 6.130 -6.268 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.066 5.378 -7.801 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.638 3.562 -7.370 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.960 4.175 -5.760 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.766 5.012 -7.001 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.672 6.380 -6.943 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.728 5.364 -9.201 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.268 4.530 -9.254 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.066 6.373 -10.171 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.929 7.125 -8.655 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -3.677 7.273 -9.792 1.00 0.77 H new ATOM 636 N MET A 49 -1.092 3.875 -3.878 1.00 0.17 N ATOM 637 CA MET A 49 -1.207 4.008 -2.437 1.00 0.17 C ATOM 638 C MET A 49 0.095 3.584 -1.756 1.00 0.17 C ATOM 639 O MET A 49 0.466 4.130 -0.719 1.00 0.19 O ATOM 640 CB MET A 49 -2.413 3.198 -1.949 1.00 0.17 C ATOM 641 CG MET A 49 -2.055 1.958 -1.171 1.00 0.19 C ATOM 642 SD MET A 49 -3.142 0.567 -1.537 1.00 1.07 S ATOM 643 CE MET A 49 -4.603 0.955 -0.575 1.00 0.22 C ATOM 0 H MET A 49 -1.693 3.157 -4.282 1.00 0.17 H new ATOM 0 HA MET A 49 -1.374 5.052 -2.171 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.036 3.837 -1.324 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.015 2.911 -2.811 1.00 0.17 H new ATOM 0 HG2 MET A 49 -1.026 1.678 -1.395 1.00 0.19 H new ATOM 0 HG3 MET A 49 -2.100 2.178 -0.104 1.00 0.19 H new ATOM 0 HE1 MET A 49 -4.869 0.098 0.044 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.400 1.815 0.064 1.00 0.22 H new ATOM 0 HE3 MET A 49 -5.429 1.188 -1.246 1.00 0.22 H new ATOM 653 N ALA A 50 0.796 2.626 -2.353 1.00 0.16 N ATOM 654 CA ALA A 50 2.060 2.147 -1.804 1.00 0.17 C ATOM 655 C ALA A 50 3.201 3.123 -2.078 1.00 0.18 C ATOM 656 O ALA A 50 4.149 3.221 -1.296 1.00 0.22 O ATOM 657 CB ALA A 50 2.401 0.773 -2.367 1.00 0.19 C ATOM 0 H ALA A 50 0.510 2.166 -3.217 1.00 0.16 H new ATOM 0 HA ALA A 50 1.937 2.070 -0.724 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.347 0.432 -1.946 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.612 0.067 -2.106 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.488 0.836 -3.452 1.00 0.19 H new ATOM 663 N ALA A 51 3.113 3.831 -3.192 1.00 0.18 N ATOM 664 CA ALA A 51 4.146 4.782 -3.568 1.00 0.22 C ATOM 665 C ALA A 51 4.026 6.090 -2.800 1.00 0.24 C ATOM 666 O ALA A 51 5.037 6.678 -2.397 1.00 0.30 O ATOM 667 CB ALA A 51 4.072 5.056 -5.059 1.00 0.25 C ATOM 0 H ALA A 51 2.337 3.765 -3.851 1.00 0.18 H new ATOM 0 HA ALA A 51 5.109 4.338 -3.316 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.848 5.769 -5.337 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.221 4.126 -5.608 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.094 5.470 -5.305 1.00 0.25 H new ATOM 673 N ILE A 52 2.803 6.561 -2.619 1.00 0.24 N ATOM 674 CA ILE A 52 2.575 7.821 -1.927 1.00 0.28 C ATOM 675 C ILE A 52 2.415 7.612 -0.423 1.00 0.26 C ATOM 676 O ILE A 52 2.961 8.380 0.376 1.00 0.31 O ATOM 677 CB ILE A 52 1.307 8.509 -2.484 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.618 9.224 -3.798 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.707 9.487 -1.481 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.214 8.446 -5.029 1.00 0.37 C ATOM 0 H ILE A 52 1.955 6.093 -2.940 1.00 0.24 H new ATOM 0 HA ILE A 52 3.446 8.454 -2.096 1.00 0.28 H new ATOM 0 HB ILE A 52 0.568 7.729 -2.670 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.108 10.187 -3.806 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.688 9.429 -3.844 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.182 9.949 -1.911 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.434 8.953 -0.571 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.439 10.259 -1.243 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.467 9.019 -5.921 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.743 7.493 -5.047 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.140 8.264 -5.008 1.00 0.37 H new ATOM 692 N LEU A 53 1.675 6.571 -0.059 1.00 0.21 N ATOM 693 CA LEU A 53 1.410 6.245 1.340 1.00 0.21 C ATOM 694 C LEU A 53 0.805 7.452 2.047 1.00 0.23 C ATOM 695 O LEU A 53 1.477 8.149 2.813 1.00 0.27 O ATOM 696 CB LEU A 53 2.686 5.776 2.040 1.00 0.24 C ATOM 697 CG LEU A 53 2.999 4.288 1.872 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.273 3.915 2.612 1.00 0.41 C ATOM 699 CD2 LEU A 53 1.827 3.435 2.347 1.00 0.35 C ATOM 0 H LEU A 53 1.242 5.929 -0.723 1.00 0.21 H new ATOM 0 HA LEU A 53 0.693 5.425 1.382 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.527 6.355 1.659 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.603 5.998 3.104 1.00 0.24 H new ATOM 0 HG LEU A 53 3.156 4.092 0.811 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.474 2.852 2.477 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.107 4.495 2.216 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.153 4.130 3.674 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.069 2.380 2.219 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.633 3.638 3.400 1.00 0.35 H new ATOM 0 HD23 LEU A 53 0.940 3.677 1.761 1.00 0.35 H new ATOM 711 N PRO A 54 -0.477 7.721 1.784 1.00 0.24 N ATOM 712 CA PRO A 54 -1.177 8.851 2.365 1.00 0.30 C ATOM 713 C PRO A 54 -1.620 8.589 3.798 1.00 0.40 C ATOM 714 O PRO A 54 -2.480 7.751 4.050 1.00 0.48 O ATOM 715 CB PRO A 54 -2.394 9.056 1.451 1.00 0.36 C ATOM 716 CG PRO A 54 -2.338 7.975 0.410 1.00 0.25 C ATOM 717 CD PRO A 54 -1.339 6.952 0.885 1.00 0.23 C ATOM 0 HA PRO A 54 -0.532 9.728 2.423 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.321 8.996 2.021 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.368 10.042 0.987 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.319 7.520 0.274 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.040 8.385 -0.555 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.825 6.125 1.402 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.776 6.523 0.056 1.00 0.23 H new ATOM 725 N MET A 55 -1.023 9.316 4.733 1.00 0.49 N ATOM 726 CA MET A 55 -1.358 9.168 6.149 1.00 0.64 C ATOM 727 C MET A 55 -2.457 10.143 6.546 1.00 0.72 C ATOM 728 O MET A 55 -2.724 10.354 7.731 1.00 1.02 O ATOM 729 CB MET A 55 -0.130 9.413 7.023 1.00 0.80 C ATOM 730 CG MET A 55 0.937 8.339 6.901 1.00 1.07 C ATOM 731 SD MET A 55 2.185 8.437 8.197 1.00 1.66 S ATOM 732 CE MET A 55 1.200 8.051 9.640 1.00 1.52 C ATOM 0 H MET A 55 -0.305 10.014 4.540 1.00 0.49 H new ATOM 0 HA MET A 55 -1.710 8.148 6.302 1.00 0.64 H new ATOM 0 HB2 MET A 55 0.306 10.376 6.758 1.00 0.80 H new ATOM 0 HB3 MET A 55 -0.445 9.482 8.064 1.00 0.80 H new ATOM 0 HG2 MET A 55 0.463 7.358 6.934 1.00 1.07 H new ATOM 0 HG3 MET A 55 1.423 8.426 5.929 1.00 1.07 H new ATOM 0 HE1 MET A 55 1.118 8.935 10.272 1.00 1.52 H new ATOM 0 HE2 MET A 55 0.205 7.735 9.327 1.00 1.52 H new ATOM 0 HE3 MET A 55 1.676 7.247 10.201 1.00 1.52 H new ATOM 742 N ASN A 56 -3.079 10.745 5.549 1.00 0.66 N ATOM 743 CA ASN A 56 -4.140 11.707 5.778 1.00 0.84 C ATOM 744 C ASN A 56 -5.217 11.570 4.717 1.00 0.69 C ATOM 745 O ASN A 56 -4.921 11.194 3.580 1.00 0.59 O ATOM 746 CB ASN A 56 -3.569 13.116 5.751 1.00 1.13 C ATOM 747 CG ASN A 56 -4.166 13.996 6.819 1.00 1.94 C ATOM 748 OD1 ASN A 56 -5.124 14.722 6.569 1.00 2.68 O ATOM 749 ND2 ASN A 56 -3.610 13.932 8.017 1.00 2.34 N ATOM 0 H ASN A 56 -2.865 10.582 4.565 1.00 0.66 H new ATOM 0 HA ASN A 56 -4.584 11.514 6.755 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -2.488 13.070 5.884 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -3.752 13.561 4.773 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -3.976 14.501 8.780 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -2.815 13.314 8.178 1.00 2.34 H new ATOM 756 N ASP A 57 -6.456 11.877 5.090 1.00 0.76 N ATOM 757 CA ASP A 57 -7.588 11.780 4.165 1.00 0.76 C ATOM 758 C ASP A 57 -7.441 12.773 3.020 1.00 0.73 C ATOM 759 O ASP A 57 -7.816 12.483 1.884 1.00 1.11 O ATOM 760 CB ASP A 57 -8.916 12.017 4.887 1.00 0.96 C ATOM 761 CG ASP A 57 -9.816 10.796 4.861 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.295 9.664 4.764 1.00 1.77 O ATOM 763 OD2 ASP A 57 -11.052 10.958 4.955 1.00 2.68 O ATOM 0 H ASP A 57 -6.705 12.196 6.026 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.589 10.769 3.758 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -8.719 12.297 5.922 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.434 12.856 4.423 1.00 0.96 H new ATOM 768 N SER A 58 -6.873 13.937 3.315 1.00 0.67 N ATOM 769 CA SER A 58 -6.651 14.955 2.299 1.00 0.72 C ATOM 770 C SER A 58 -5.569 14.466 1.342 1.00 0.66 C ATOM 771 O SER A 58 -5.645 14.671 0.131 1.00 0.77 O ATOM 772 CB SER A 58 -6.232 16.272 2.954 1.00 0.87 C ATOM 773 OG SER A 58 -6.463 16.237 4.356 1.00 1.02 O ATOM 0 H SER A 58 -6.559 14.198 4.250 1.00 0.67 H new ATOM 0 HA SER A 58 -7.573 15.132 1.745 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.176 16.460 2.760 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.789 17.097 2.510 1.00 0.87 H new ATOM 0 HG SER A 58 -6.186 17.089 4.754 1.00 1.02 H new ATOM 779 N ALA A 59 -4.576 13.781 1.912 1.00 0.58 N ATOM 780 CA ALA A 59 -3.472 13.220 1.141 1.00 0.59 C ATOM 781 C ALA A 59 -3.973 12.137 0.192 1.00 0.51 C ATOM 782 O ALA A 59 -3.409 11.923 -0.873 1.00 0.59 O ATOM 783 CB ALA A 59 -2.397 12.657 2.061 1.00 0.62 C ATOM 0 H ALA A 59 -4.517 13.602 2.914 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.033 14.024 0.551 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.585 12.245 1.462 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.010 13.452 2.698 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -2.825 11.870 2.682 1.00 0.62 H new ATOM 789 N PHE A 60 -5.043 11.460 0.600 1.00 0.40 N ATOM 790 CA PHE A 60 -5.656 10.392 -0.187 1.00 0.37 C ATOM 791 C PHE A 60 -6.076 10.893 -1.569 1.00 0.42 C ATOM 792 O PHE A 60 -6.180 10.116 -2.519 1.00 0.46 O ATOM 793 CB PHE A 60 -6.873 9.832 0.555 1.00 0.33 C ATOM 794 CG PHE A 60 -6.675 8.432 1.056 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.769 7.574 0.449 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.399 7.970 2.138 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.597 6.286 0.920 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.230 6.691 2.608 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.287 5.842 1.964 1.00 0.24 C ATOM 0 H PHE A 60 -5.511 11.637 1.489 1.00 0.40 H new ATOM 0 HA PHE A 60 -4.916 9.603 -0.323 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.105 10.482 1.399 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.736 9.853 -0.111 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.193 7.916 -0.399 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.109 8.625 2.622 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.891 5.631 0.432 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.803 6.336 3.452 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.132 4.836 2.325 1.00 0.24 H new ATOM 809 N ALA A 61 -6.323 12.195 -1.670 1.00 0.47 N ATOM 810 CA ALA A 61 -6.735 12.814 -2.931 1.00 0.56 C ATOM 811 C ALA A 61 -5.676 12.639 -4.017 1.00 0.58 C ATOM 812 O ALA A 61 -5.980 12.718 -5.206 1.00 0.64 O ATOM 813 CB ALA A 61 -7.030 14.295 -2.726 1.00 0.67 C ATOM 0 H ALA A 61 -6.245 12.848 -0.890 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.643 12.309 -3.262 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.335 14.740 -3.673 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.832 14.409 -1.997 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.134 14.797 -2.361 1.00 0.67 H new ATOM 819 N THR A 62 -4.431 12.412 -3.607 1.00 0.57 N ATOM 820 CA THR A 62 -3.334 12.238 -4.548 1.00 0.64 C ATOM 821 C THR A 62 -3.495 10.962 -5.377 1.00 0.53 C ATOM 822 O THR A 62 -2.864 10.806 -6.418 1.00 0.57 O ATOM 823 CB THR A 62 -1.983 12.210 -3.826 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.948 11.131 -2.880 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.727 13.534 -3.118 1.00 1.13 C ATOM 0 H THR A 62 -4.159 12.345 -2.626 1.00 0.57 H new ATOM 0 HA THR A 62 -3.361 13.095 -5.221 1.00 0.64 H new ATOM 0 HB THR A 62 -1.199 12.056 -4.568 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.626 11.280 -2.188 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.763 13.495 -2.611 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.720 14.342 -3.849 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.515 13.714 -2.386 1.00 1.13 H new ATOM 833 N LEU A 63 -4.356 10.055 -4.921 1.00 0.44 N ATOM 834 CA LEU A 63 -4.603 8.808 -5.642 1.00 0.40 C ATOM 835 C LEU A 63 -5.642 9.036 -6.731 1.00 0.48 C ATOM 836 O LEU A 63 -5.935 8.140 -7.528 1.00 0.68 O ATOM 837 CB LEU A 63 -5.093 7.703 -4.698 1.00 0.34 C ATOM 838 CG LEU A 63 -4.249 7.479 -3.446 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.862 6.387 -2.598 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.823 7.108 -3.803 1.00 0.27 C ATOM 0 H LEU A 63 -4.892 10.159 -4.060 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.661 8.488 -6.087 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.111 7.939 -4.390 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.138 6.768 -5.256 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.229 8.412 -2.883 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.254 6.234 -1.707 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.870 6.678 -2.303 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.905 5.461 -3.172 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.247 6.955 -2.890 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.822 6.190 -4.391 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.373 7.912 -4.385 1.00 0.27 H new ATOM 852 N GLY A 64 -6.201 10.241 -6.745 1.00 0.63 N ATOM 853 CA GLY A 64 -7.218 10.592 -7.711 1.00 0.76 C ATOM 854 C GLY A 64 -8.555 10.765 -7.026 1.00 0.91 C ATOM 855 O GLY A 64 -8.610 11.086 -5.838 1.00 1.61 O ATOM 0 H GLY A 64 -5.962 10.988 -6.094 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.941 11.514 -8.222 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -7.290 9.815 -8.472 1.00 0.76 H new ATOM 859 N THR A 65 -9.631 10.540 -7.744 1.00 1.22 N ATOM 860 CA THR A 65 -10.948 10.660 -7.163 1.00 1.52 C ATOM 861 C THR A 65 -11.503 9.280 -6.838 1.00 1.28 C ATOM 862 O THR A 65 -12.437 8.806 -7.491 1.00 1.56 O ATOM 863 CB THR A 65 -11.905 11.399 -8.107 1.00 2.09 C ATOM 864 OG1 THR A 65 -11.455 11.266 -9.462 1.00 2.14 O ATOM 865 CG2 THR A 65 -12.001 12.876 -7.736 1.00 2.55 C ATOM 0 H THR A 65 -9.621 10.274 -8.729 1.00 1.22 H new ATOM 0 HA THR A 65 -10.860 11.240 -6.244 1.00 1.52 H new ATOM 0 HB THR A 65 -12.895 10.954 -8.009 1.00 2.09 H new ATOM 0 HG1 THR A 65 -12.072 11.739 -10.059 1.00 2.14 H new ATOM 0 HG21 THR A 65 -12.685 13.379 -8.419 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.372 12.971 -6.716 1.00 2.55 H new ATOM 0 HG23 THR A 65 -11.015 13.334 -7.808 1.00 2.55 H new ATOM 873 N VAL A 66 -10.908 8.631 -5.835 1.00 0.89 N ATOM 874 CA VAL A 66 -11.330 7.295 -5.430 1.00 0.69 C ATOM 875 C VAL A 66 -12.816 7.271 -5.097 1.00 0.68 C ATOM 876 O VAL A 66 -13.338 8.173 -4.437 1.00 0.72 O ATOM 877 CB VAL A 66 -10.525 6.740 -4.221 1.00 0.50 C ATOM 878 CG1 VAL A 66 -9.039 6.684 -4.537 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.775 7.550 -2.954 1.00 0.58 C ATOM 0 H VAL A 66 -10.134 9.011 -5.291 1.00 0.89 H new ATOM 0 HA VAL A 66 -11.129 6.649 -6.285 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.878 5.725 -4.037 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.498 6.292 -3.675 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.874 6.033 -5.396 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.678 7.686 -4.767 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -10.194 7.130 -2.133 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -10.475 8.585 -3.119 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.835 7.515 -2.703 1.00 0.58 H new ATOM 889 N GLU A 67 -13.491 6.242 -5.575 1.00 0.72 N ATOM 890 CA GLU A 67 -14.911 6.083 -5.344 1.00 0.79 C ATOM 891 C GLU A 67 -15.159 5.574 -3.935 1.00 0.63 C ATOM 892 O GLU A 67 -14.244 5.061 -3.284 1.00 0.49 O ATOM 893 CB GLU A 67 -15.486 5.092 -6.351 1.00 0.94 C ATOM 894 CG GLU A 67 -15.746 5.683 -7.717 1.00 1.19 C ATOM 895 CD GLU A 67 -15.434 4.718 -8.840 1.00 1.70 C ATOM 896 OE1 GLU A 67 -16.278 3.843 -9.128 1.00 2.16 O ATOM 897 OE2 GLU A 67 -14.340 4.811 -9.422 1.00 2.42 O ATOM 0 H GLU A 67 -13.071 5.497 -6.131 1.00 0.72 H new ATOM 0 HA GLU A 67 -15.398 7.051 -5.464 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.797 4.254 -6.454 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.419 4.690 -5.957 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.791 5.987 -7.784 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.144 6.583 -7.839 1.00 1.19 H new ATOM 904 N ASP A 68 -16.398 5.692 -3.472 1.00 0.71 N ATOM 905 CA ASP A 68 -16.764 5.218 -2.143 1.00 0.67 C ATOM 906 C ASP A 68 -16.463 3.729 -2.016 1.00 0.54 C ATOM 907 O ASP A 68 -16.088 3.246 -0.948 1.00 0.55 O ATOM 908 CB ASP A 68 -18.242 5.470 -1.860 1.00 0.85 C ATOM 909 CG ASP A 68 -18.578 5.337 -0.389 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.800 5.839 0.450 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.614 4.726 -0.061 1.00 1.61 O ATOM 0 H ASP A 68 -17.165 6.112 -3.997 1.00 0.71 H new ATOM 0 HA ASP A 68 -16.173 5.771 -1.413 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.510 6.470 -2.202 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.844 4.765 -2.433 1.00 0.85 H new ATOM 916 N LYS A 69 -16.604 3.012 -3.130 1.00 0.55 N ATOM 917 CA LYS A 69 -16.329 1.581 -3.167 1.00 0.58 C ATOM 918 C LYS A 69 -14.863 1.302 -2.811 1.00 0.51 C ATOM 919 O LYS A 69 -14.530 0.242 -2.284 1.00 0.60 O ATOM 920 CB LYS A 69 -16.674 0.991 -4.544 1.00 0.71 C ATOM 921 CG LYS A 69 -15.722 1.398 -5.661 1.00 0.82 C ATOM 922 CD LYS A 69 -16.405 1.368 -7.020 1.00 1.15 C ATOM 923 CE LYS A 69 -15.551 0.676 -8.062 1.00 1.53 C ATOM 924 NZ LYS A 69 -15.887 1.121 -9.437 1.00 1.97 N ATOM 0 H LYS A 69 -16.909 3.403 -4.021 1.00 0.55 H new ATOM 0 HA LYS A 69 -16.961 1.096 -2.423 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -16.681 -0.096 -4.468 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -17.684 1.298 -4.814 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.341 2.401 -5.467 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -14.863 0.727 -5.670 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -17.362 0.854 -6.935 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -16.618 2.387 -7.343 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -14.499 0.878 -7.862 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -15.688 -0.403 -7.986 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -15.026 1.128 -10.020 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -16.582 0.468 -9.853 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.290 2.079 -9.403 1.00 1.97 H new ATOM 938 N TYR A 70 -13.998 2.271 -3.080 1.00 0.43 N ATOM 939 CA TYR A 70 -12.584 2.140 -2.769 1.00 0.39 C ATOM 940 C TYR A 70 -12.325 2.600 -1.339 1.00 0.33 C ATOM 941 O TYR A 70 -11.472 2.053 -0.641 1.00 0.34 O ATOM 942 CB TYR A 70 -11.754 2.971 -3.753 1.00 0.47 C ATOM 943 CG TYR A 70 -11.864 2.505 -5.192 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.303 1.301 -5.603 1.00 1.05 C ATOM 945 CD2 TYR A 70 -12.527 3.278 -6.145 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.405 0.879 -6.915 1.00 1.16 C ATOM 947 CE2 TYR A 70 -12.629 2.858 -7.457 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.065 1.661 -7.836 1.00 0.94 C ATOM 949 OH TYR A 70 -12.166 1.239 -9.139 1.00 1.11 O ATOM 0 H TYR A 70 -14.253 3.158 -3.514 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.292 1.094 -2.861 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.071 4.012 -3.693 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.708 2.938 -3.449 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.779 0.686 -4.886 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -12.968 4.220 -5.853 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -10.968 -0.061 -7.217 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.149 3.466 -8.182 1.00 1.29 H new ATOM 0 HH TYR A 70 -12.662 1.904 -9.661 1.00 1.11 H new ATOM 959 N ARG A 71 -13.092 3.599 -0.919 1.00 0.37 N ATOM 960 CA ARG A 71 -12.989 4.161 0.423 1.00 0.46 C ATOM 961 C ARG A 71 -13.348 3.127 1.484 1.00 0.52 C ATOM 962 O ARG A 71 -12.795 3.143 2.584 1.00 0.59 O ATOM 963 CB ARG A 71 -13.889 5.397 0.552 1.00 0.60 C ATOM 964 CG ARG A 71 -13.378 6.612 -0.208 1.00 0.81 C ATOM 965 CD ARG A 71 -12.580 7.513 0.702 1.00 0.97 C ATOM 966 NE ARG A 71 -13.441 8.213 1.648 1.00 1.39 N ATOM 967 CZ ARG A 71 -13.339 9.508 1.942 1.00 1.96 C ATOM 968 NH1 ARG A 71 -12.436 10.275 1.341 1.00 2.55 N ATOM 969 NH2 ARG A 71 -14.168 10.031 2.839 1.00 2.53 N ATOM 0 H ARG A 71 -13.804 4.043 -1.499 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.954 4.460 0.585 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.887 5.148 0.191 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.987 5.655 1.607 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.758 6.290 -1.044 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -14.218 7.164 -0.629 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.844 6.922 1.247 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -12.028 8.239 0.105 1.00 0.97 H new ATOM 0 HE ARG A 71 -14.170 7.675 2.116 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -11.809 9.874 0.644 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -12.370 11.265 1.577 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -14.868 9.443 3.290 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -14.104 11.021 3.076 1.00 2.53 H new ATOM 983 N ARG A 72 -14.278 2.235 1.165 1.00 0.57 N ATOM 984 CA ARG A 72 -14.693 1.196 2.105 1.00 0.72 C ATOM 985 C ARG A 72 -13.496 0.405 2.596 1.00 0.68 C ATOM 986 O ARG A 72 -13.266 0.285 3.790 1.00 0.82 O ATOM 987 CB ARG A 72 -15.653 0.203 1.465 1.00 0.87 C ATOM 988 CG ARG A 72 -16.968 0.775 1.007 1.00 1.22 C ATOM 989 CD ARG A 72 -17.471 -0.035 -0.168 1.00 1.78 C ATOM 990 NE ARG A 72 -17.775 -1.424 0.211 1.00 2.63 N ATOM 991 CZ ARG A 72 -18.135 -2.389 -0.651 1.00 3.47 C ATOM 992 NH1 ARG A 72 -18.275 -2.126 -1.943 1.00 3.77 N ATOM 993 NH2 ARG A 72 -18.357 -3.624 -0.213 1.00 4.38 N ATOM 0 H ARG A 72 -14.759 2.208 0.266 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.186 1.712 2.929 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -15.158 -0.254 0.608 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -15.853 -0.595 2.180 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.694 0.751 1.820 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -16.846 1.819 0.720 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -18.367 0.434 -0.575 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -16.721 -0.031 -0.959 1.00 1.78 H new ATOM 0 HE ARG A 72 -17.708 -1.671 1.198 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -18.109 -1.182 -2.292 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -18.549 -2.868 -2.588 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -18.254 -3.840 0.779 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -18.630 -4.356 -0.868 1.00 4.38 H new ATOM 1007 N ARG A 73 -12.742 -0.141 1.654 1.00 0.63 N ATOM 1008 CA ARG A 73 -11.576 -0.947 1.984 1.00 0.70 C ATOM 1009 C ARG A 73 -10.420 -0.070 2.436 1.00 0.53 C ATOM 1010 O ARG A 73 -9.412 -0.557 2.934 1.00 0.59 O ATOM 1011 CB ARG A 73 -11.161 -1.785 0.776 1.00 0.88 C ATOM 1012 CG ARG A 73 -12.190 -2.832 0.371 1.00 0.59 C ATOM 1013 CD ARG A 73 -13.256 -2.244 -0.529 1.00 0.71 C ATOM 1014 NE ARG A 73 -14.141 -3.268 -1.075 1.00 1.08 N ATOM 1015 CZ ARG A 73 -14.208 -3.566 -2.373 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -13.449 -2.915 -3.240 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -15.031 -4.509 -2.804 1.00 1.44 N ATOM 0 H ARG A 73 -12.917 -0.041 0.654 1.00 0.63 H new ATOM 0 HA ARG A 73 -11.840 -1.612 2.806 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -10.980 -1.121 -0.070 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -10.217 -2.283 0.998 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.691 -3.654 -0.143 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -12.656 -3.250 1.263 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.845 -1.519 0.033 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -12.781 -1.703 -1.347 1.00 0.71 H new ATOM 0 HE ARG A 73 -14.740 -3.783 -0.430 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -12.814 -2.186 -2.915 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -13.499 -3.142 -4.233 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -15.620 -5.014 -2.142 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -15.076 -4.731 -3.799 1.00 1.44 H new ATOM 1031 N PHE A 74 -10.595 1.229 2.286 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.576 2.189 2.697 1.00 0.26 C ATOM 1033 C PHE A 74 -9.521 2.288 4.211 1.00 0.22 C ATOM 1034 O PHE A 74 -8.446 2.412 4.794 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.859 3.558 2.089 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.965 3.888 0.923 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.783 3.188 0.723 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.288 4.908 0.040 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.953 3.487 -0.340 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.457 5.215 -1.026 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.284 4.505 -1.208 1.00 0.30 C ATOM 0 H PHE A 74 -11.433 1.649 1.883 1.00 0.36 H new ATOM 0 HA PHE A 74 -8.608 1.841 2.336 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.898 3.595 1.763 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.739 4.321 2.858 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.509 2.399 1.408 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.199 5.470 0.185 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -6.044 2.923 -0.491 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.724 6.005 -1.712 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.628 4.748 -2.030 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.682 2.221 4.843 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.765 2.291 6.294 1.00 0.30 C ATOM 1053 C LYS A 75 -10.140 1.043 6.929 1.00 0.28 C ATOM 1054 O LYS A 75 -9.728 1.064 8.086 1.00 0.37 O ATOM 1055 CB LYS A 75 -12.224 2.471 6.736 1.00 0.41 C ATOM 1056 CG LYS A 75 -13.084 1.225 6.588 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.496 1.475 7.089 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.542 1.164 6.020 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.934 1.424 6.489 1.00 1.72 N ATOM 0 H LYS A 75 -11.582 2.118 4.373 1.00 0.23 H new ATOM 0 HA LYS A 75 -10.200 3.157 6.637 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -12.239 2.786 7.779 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.670 3.277 6.154 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.114 0.922 5.541 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.637 0.402 7.146 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.683 0.861 7.970 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.592 2.515 7.400 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -15.342 1.767 5.134 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.452 0.120 5.721 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -17.605 1.197 5.727 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -17.138 0.830 7.318 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -17.031 2.426 6.749 1.00 1.72 H new ATOM 1073 N TYR A 76 -10.059 -0.042 6.158 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.472 -1.292 6.638 1.00 0.22 C ATOM 1075 C TYR A 76 -7.970 -1.326 6.358 1.00 0.20 C ATOM 1076 O TYR A 76 -7.278 -2.270 6.735 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.116 -2.496 5.953 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.625 -2.523 5.999 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -12.292 -2.392 7.211 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.383 -2.651 4.844 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.673 -2.401 7.271 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.763 -2.660 4.894 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.406 -2.618 6.060 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.788 -2.541 6.164 1.00 0.99 O ATOM 0 H TYR A 76 -10.394 -0.079 5.195 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.651 -1.342 7.712 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.799 -2.515 4.910 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.737 -3.406 6.418 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.722 -2.281 8.121 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -11.886 -2.745 3.890 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -14.187 -2.248 8.209 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.329 -2.702 3.975 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.192 -2.702 5.286 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.487 -0.302 5.668 1.00 0.18 N ATOM 1095 CA PHE A 77 -6.073 -0.213 5.296 1.00 0.21 C ATOM 1096 C PHE A 77 -5.358 0.929 6.018 1.00 0.24 C ATOM 1097 O PHE A 77 -4.135 1.016 5.967 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.949 0.030 3.794 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.798 -1.210 2.956 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.962 -2.247 3.346 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.486 -1.332 1.760 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.823 -3.378 2.562 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.348 -2.459 0.974 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.516 -3.481 1.374 1.00 0.24 C ATOM 0 H PHE A 77 -8.053 0.485 5.351 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.609 -1.156 5.583 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.832 0.573 3.456 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.090 0.676 3.616 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.413 -2.170 4.273 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.139 -0.535 1.438 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -4.173 -4.179 2.880 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.893 -2.539 0.045 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.406 -4.362 0.758 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.123 1.831 6.629 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.559 3.006 7.303 1.00 0.34 C ATOM 1116 C LYS A 78 -4.489 2.674 8.347 1.00 0.37 C ATOM 1117 O LYS A 78 -3.582 3.474 8.575 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.679 3.834 7.930 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.635 5.294 7.521 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.925 5.713 6.833 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.353 7.109 7.258 1.00 0.98 C ATOM 1122 NZ LYS A 78 -9.483 7.634 6.446 1.00 1.37 N ATOM 0 H LYS A 78 -7.140 1.773 6.673 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.049 3.585 6.533 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.641 3.410 7.643 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.611 3.764 9.016 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.471 5.916 8.401 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.792 5.461 6.851 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.788 5.686 5.752 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.714 5.000 7.072 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -8.643 7.092 8.309 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -7.504 7.787 7.173 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.189 8.509 5.966 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -9.759 6.926 5.736 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -10.293 7.835 7.067 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.566 1.508 8.975 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.569 1.138 9.976 1.00 0.46 C ATOM 1138 C ALA A 79 -2.275 0.675 9.318 1.00 0.41 C ATOM 1139 O ALA A 79 -1.184 0.919 9.831 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.102 0.057 10.904 1.00 0.56 C ATOM 0 H ALA A 79 -5.294 0.812 8.815 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.354 2.027 10.569 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.339 -0.200 11.639 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -4.992 0.423 11.416 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.357 -0.829 10.322 1.00 0.56 H new ATOM 1146 N THR A 80 -2.412 0.013 8.186 1.00 0.31 N ATOM 1147 CA THR A 80 -1.272 -0.487 7.446 1.00 0.30 C ATOM 1148 C THR A 80 -0.612 0.631 6.652 1.00 0.24 C ATOM 1149 O THR A 80 0.604 0.810 6.711 1.00 0.27 O ATOM 1150 CB THR A 80 -1.705 -1.619 6.501 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.848 -2.279 7.046 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.583 -2.621 6.297 1.00 0.46 C ATOM 0 H THR A 80 -3.313 -0.192 7.755 1.00 0.31 H new ATOM 0 HA THR A 80 -0.547 -0.879 8.160 1.00 0.30 H new ATOM 0 HB THR A 80 -1.953 -1.186 5.532 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.639 -3.225 7.196 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.918 -3.410 5.624 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.281 -2.117 5.863 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.305 -3.056 7.257 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.420 1.389 5.918 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.916 2.501 5.116 1.00 0.24 C ATOM 1162 C ILE A 81 -0.161 3.500 5.986 1.00 0.28 C ATOM 1163 O ILE A 81 0.875 4.029 5.583 1.00 0.34 O ATOM 1164 CB ILE A 81 -2.061 3.215 4.358 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.688 2.251 3.352 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.560 4.467 3.650 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.942 2.792 2.697 1.00 0.55 C ATOM 0 H ILE A 81 -2.429 1.254 5.861 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.227 2.086 4.380 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.814 3.524 5.083 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -1.956 2.018 2.579 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.927 1.315 3.858 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.388 4.945 3.127 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -1.146 5.159 4.384 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.787 4.194 2.932 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.333 2.055 1.995 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.691 2.999 3.461 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.705 3.712 2.163 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.668 3.734 7.188 1.00 0.31 N ATOM 1180 CA ALA A 82 -0.028 4.643 8.115 1.00 0.39 C ATOM 1181 C ALA A 82 1.270 4.047 8.630 1.00 0.41 C ATOM 1182 O ALA A 82 2.309 4.714 8.659 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.954 4.957 9.274 1.00 0.46 C ATOM 0 H ALA A 82 -1.523 3.304 7.540 1.00 0.31 H new ATOM 0 HA ALA A 82 0.197 5.570 7.587 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.457 5.642 9.961 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.866 5.420 8.896 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.206 4.035 9.799 1.00 0.46 H new ATOM 1189 N ASP A 83 1.208 2.787 9.032 1.00 0.37 N ATOM 1190 CA ASP A 83 2.377 2.096 9.553 1.00 0.42 C ATOM 1191 C ASP A 83 3.488 2.012 8.516 1.00 0.39 C ATOM 1192 O ASP A 83 4.654 2.226 8.835 1.00 0.46 O ATOM 1193 CB ASP A 83 2.004 0.692 10.018 1.00 0.47 C ATOM 1194 CG ASP A 83 3.110 0.046 10.822 1.00 0.80 C ATOM 1195 OD1 ASP A 83 3.802 0.762 11.575 1.00 1.40 O ATOM 1196 OD2 ASP A 83 3.288 -1.182 10.707 1.00 1.37 O ATOM 0 H ASP A 83 0.359 2.222 9.007 1.00 0.37 H new ATOM 0 HA ASP A 83 2.744 2.674 10.401 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.098 0.739 10.622 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.777 0.072 9.151 1.00 0.47 H new ATOM 1201 N LEU A 84 3.122 1.708 7.279 1.00 0.32 N ATOM 1202 CA LEU A 84 4.095 1.590 6.198 1.00 0.31 C ATOM 1203 C LEU A 84 4.857 2.897 5.989 1.00 0.35 C ATOM 1204 O LEU A 84 6.020 2.885 5.589 1.00 0.42 O ATOM 1205 CB LEU A 84 3.395 1.161 4.906 1.00 0.29 C ATOM 1206 CG LEU A 84 2.903 -0.284 4.894 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.746 -0.430 3.923 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.031 -1.232 4.527 1.00 0.48 C ATOM 0 H LEU A 84 2.157 1.538 6.997 1.00 0.32 H new ATOM 0 HA LEU A 84 4.822 0.827 6.477 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.545 1.821 4.734 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.083 1.303 4.072 1.00 0.29 H new ATOM 0 HG LEU A 84 2.556 -0.543 5.894 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.401 -1.464 3.921 1.00 0.40 H new ATOM 0 HD12 LEU A 84 0.930 0.224 4.229 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.075 -0.155 2.921 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.659 -2.257 4.524 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.410 -0.981 3.536 1.00 0.48 H new ATOM 0 HD23 LEU A 84 4.835 -1.140 5.257 1.00 0.48 H new ATOM 1220 N SER A 85 4.211 4.022 6.289 1.00 0.37 N ATOM 1221 CA SER A 85 4.852 5.323 6.155 1.00 0.50 C ATOM 1222 C SER A 85 5.772 5.572 7.346 1.00 0.61 C ATOM 1223 O SER A 85 6.787 6.258 7.230 1.00 0.73 O ATOM 1224 CB SER A 85 3.805 6.428 6.043 1.00 0.57 C ATOM 1225 OG SER A 85 4.338 7.583 5.417 1.00 1.37 O ATOM 0 H SER A 85 3.248 4.056 6.625 1.00 0.37 H new ATOM 0 HA SER A 85 5.449 5.330 5.243 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.950 6.065 5.473 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.439 6.687 7.037 1.00 0.57 H new ATOM 0 HG SER A 85 3.644 8.273 5.358 1.00 1.37 H new ATOM 1231 N LYS A 86 5.420 4.981 8.486 1.00 0.60 N ATOM 1232 CA LYS A 86 6.217 5.102 9.702 1.00 0.74 C ATOM 1233 C LYS A 86 7.521 4.333 9.530 1.00 0.78 C ATOM 1234 O LYS A 86 8.597 4.819 9.885 1.00 0.98 O ATOM 1235 CB LYS A 86 5.443 4.565 10.918 1.00 0.75 C ATOM 1236 CG LYS A 86 4.246 5.414 11.325 1.00 1.29 C ATOM 1237 CD LYS A 86 3.083 4.551 11.803 1.00 1.79 C ATOM 1238 CE LYS A 86 3.253 4.116 13.255 1.00 2.34 C ATOM 1239 NZ LYS A 86 3.476 2.646 13.389 1.00 3.07 N ATOM 0 H LYS A 86 4.582 4.410 8.592 1.00 0.60 H new ATOM 0 HA LYS A 86 6.435 6.156 9.877 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.099 3.555 10.697 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.126 4.491 11.765 1.00 0.75 H new ATOM 0 HG2 LYS A 86 4.540 6.102 12.118 1.00 1.29 H new ATOM 0 HG3 LYS A 86 3.925 6.022 10.479 1.00 1.29 H new ATOM 0 HD2 LYS A 86 2.152 5.107 11.698 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.001 3.669 11.168 1.00 1.79 H new ATOM 0 HE2 LYS A 86 4.096 4.650 13.694 1.00 2.34 H new ATOM 0 HE3 LYS A 86 2.366 4.399 13.822 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 2.632 2.203 13.804 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 3.656 2.235 12.451 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 4.296 2.474 14.005 1.00 3.07 H new ATOM 1253 N LYS A 87 7.416 3.138 8.953 1.00 0.75 N ATOM 1254 CA LYS A 87 8.581 2.304 8.701 1.00 0.86 C ATOM 1255 C LYS A 87 9.424 2.911 7.583 1.00 0.93 C ATOM 1256 O LYS A 87 10.638 2.725 7.533 1.00 1.11 O ATOM 1257 CB LYS A 87 8.165 0.875 8.328 1.00 0.91 C ATOM 1258 CG LYS A 87 6.914 0.373 9.035 1.00 1.01 C ATOM 1259 CD LYS A 87 7.052 -1.087 9.421 1.00 1.35 C ATOM 1260 CE LYS A 87 6.947 -1.255 10.921 1.00 2.18 C ATOM 1261 NZ LYS A 87 5.739 -2.021 11.312 1.00 2.78 N ATOM 0 H LYS A 87 6.532 2.728 8.652 1.00 0.75 H new ATOM 0 HA LYS A 87 9.173 2.259 9.615 1.00 0.86 H new ATOM 0 HB2 LYS A 87 8.001 0.828 7.251 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.990 0.200 8.555 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.732 0.972 9.927 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.049 0.500 8.384 1.00 1.01 H new ATOM 0 HD2 LYS A 87 6.276 -1.673 8.929 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.011 -1.471 9.073 1.00 1.35 H new ATOM 0 HE2 LYS A 87 7.836 -1.766 11.291 1.00 2.18 H new ATOM 0 HE3 LYS A 87 6.923 -0.274 11.395 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 5.585 -1.927 12.336 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 4.912 -1.650 10.802 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 5.872 -3.024 11.072 1.00 2.78 H new