USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 653 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 43 LYS NZ :NH3+ 149:sc= 1.25 (180deg=-0.0184) USER MOD Set 1.2: A 44 ASN : amide:sc= -1.42! C(o=-0.16!,f=-14!) USER MOD Set 2.1: A 21 SER OG : rot 74:sc= 0.469 USER MOD Set 2.2: A 23 HIS : no HE2:sc= -10.7! C(o=-10!,f=-11!) USER MOD Set 3.1: A 5 CYS SG : rot 60:sc= 2.04 USER MOD Set 3.2: A 10 CYS SG : rot -177:sc= -2.54! USER MOD Set 3.3: A 54 CYS SG : rot -82:sc= -2.53! USER MOD Set 3.4: A 57 HIS : no HD1:sc= -1.97 K(o=-5,f=-19!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 88:sc= -0.156 USER MOD Single : A 6 SER OG : rot -30:sc= 0.579 USER MOD Single : A 8 TYR OH : rot 180:sc= 0.0631 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.79) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0426 (180deg=-0.268) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc=-0.00667 (180deg=-0.173) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.119 USER MOD Single : A 33 CYS SG : rot 52:sc= -1.18! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.155 (180deg=-0.744) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= 1.1 (180deg=0.287) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -71:sc= -3.44! USER MOD Single : A 52 SER OG : rot 180:sc= 0.00458 USER MOD Single : A 55 SER OG : rot 130:sc= -2.47 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00682 USER MOD Single : A 62 SER OG : rot -150:sc= -3.08! USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.14 (180deg=-0.55) USER MOD Single : A 67 SER OG : rot -118:sc= -5.54! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 69 ASN : amide:sc= -0.759! C(o=-0.76!,f=-8.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.21) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0998 F(o=-1.1,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.325 -4.222 -5.371 1.00 10.00 N ATOM 37 CA GLN A 3 -8.734 -4.030 -5.660 1.00 10.00 C ATOM 38 C GLN A 3 -9.029 -2.533 -5.803 1.00 10.00 C ATOM 39 O GLN A 3 -9.636 -2.108 -6.784 1.00 10.00 O ATOM 40 CB GLN A 3 -9.587 -4.660 -4.553 1.00 10.00 C ATOM 41 CG GLN A 3 -9.671 -6.186 -4.638 1.00 10.00 C ATOM 42 CD GLN A 3 -10.079 -6.842 -3.328 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.235 -7.261 -2.527 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.378 -6.939 -3.109 1.00 10.00 N ATOM 0 HA GLN A 3 -8.986 -4.522 -6.599 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.174 -4.381 -3.584 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -10.594 -4.246 -4.601 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.388 -6.461 -5.412 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -8.702 -6.579 -4.947 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.039 -6.580 -3.797 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.720 -7.373 -2.252 1.00 10.00 H new ATOM 53 N SER A 4 -8.581 -1.749 -4.819 1.00 10.00 N ATOM 54 CA SER A 4 -8.762 -0.301 -4.828 1.00 10.00 C ATOM 55 C SER A 4 -8.122 0.300 -3.580 1.00 10.00 C ATOM 56 O SER A 4 -7.796 -0.421 -2.634 1.00 10.00 O ATOM 57 CB SER A 4 -10.273 0.031 -4.874 1.00 10.00 C ATOM 58 OG SER A 4 -10.625 1.107 -4.011 1.00 10.00 O ATOM 0 H SER A 4 -8.086 -2.101 -4.000 1.00 10.00 H new ATOM 0 HA SER A 4 -8.282 0.125 -5.709 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.554 0.283 -5.896 1.00 10.00 H new ATOM 0 HB3 SER A 4 -10.844 -0.855 -4.596 1.00 10.00 H new ATOM 0 HG SER A 4 -10.528 1.956 -4.491 1.00 10.00 H new ATOM 64 N CYS A 5 -7.980 1.629 -3.581 1.00 10.00 N ATOM 65 CA CYS A 5 -7.300 2.342 -2.500 1.00 10.00 C ATOM 66 C CYS A 5 -8.271 2.427 -1.326 1.00 10.00 C ATOM 67 O CYS A 5 -9.480 2.227 -1.446 1.00 10.00 O ATOM 68 CB CYS A 5 -6.912 3.737 -3.002 1.00 10.00 C ATOM 69 SG CYS A 5 -7.298 3.995 -4.747 1.00 10.00 S ATOM 0 H CYS A 5 -8.330 2.234 -4.324 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.392 1.830 -2.182 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.431 4.488 -2.406 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.844 3.889 -2.846 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.576 3.852 -4.934 1.00 10.00 H new ATOM 74 N SER A 6 -7.654 2.798 -0.181 1.00 10.00 N ATOM 75 CA SER A 6 -8.309 2.975 1.099 1.00 10.00 C ATOM 76 C SER A 6 -9.199 4.208 1.097 1.00 10.00 C ATOM 77 O SER A 6 -9.798 4.545 2.114 1.00 10.00 O ATOM 78 CB SER A 6 -7.243 3.088 2.192 1.00 10.00 C ATOM 79 OG SER A 6 -7.825 3.142 3.481 1.00 10.00 O ATOM 0 H SER A 6 -6.652 2.984 -0.140 1.00 10.00 H new ATOM 0 HA SER A 6 -8.946 2.112 1.292 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.567 2.235 2.132 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.643 3.982 2.025 1.00 10.00 H new ATOM 0 HG SER A 6 -8.709 3.561 3.423 1.00 10.00 H new ATOM 85 N ALA A 7 -9.210 4.911 -0.036 1.00 10.00 N ATOM 86 CA ALA A 7 -10.055 6.089 -0.228 1.00 10.00 C ATOM 87 C ALA A 7 -11.538 5.740 -0.021 1.00 10.00 C ATOM 88 O ALA A 7 -11.897 4.846 0.742 1.00 10.00 O ATOM 89 CB ALA A 7 -9.827 6.693 -1.617 1.00 10.00 C ATOM 0 H ALA A 7 -8.634 4.680 -0.845 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.778 6.833 0.519 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.464 7.569 -1.742 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.782 6.987 -1.719 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.072 5.954 -2.380 1.00 10.00 H new ATOM 95 N TYR A 8 -12.413 6.415 -0.740 1.00 10.00 N ATOM 96 CA TYR A 8 -13.825 6.144 -0.632 1.00 10.00 C ATOM 97 C TYR A 8 -14.487 6.376 -1.978 1.00 10.00 C ATOM 98 O TYR A 8 -15.167 7.367 -2.199 1.00 10.00 O ATOM 99 CB TYR A 8 -14.481 6.976 0.473 1.00 10.00 C ATOM 100 CG TYR A 8 -14.064 8.425 0.512 1.00 10.00 C ATOM 101 CD1 TYR A 8 -14.643 9.344 -0.341 1.00 10.00 C ATOM 102 CD2 TYR A 8 -13.100 8.870 1.405 1.00 10.00 C ATOM 103 CE1 TYR A 8 -14.274 10.672 -0.313 1.00 10.00 C ATOM 104 CE2 TYR A 8 -12.721 10.195 1.440 1.00 10.00 C ATOM 105 CZ TYR A 8 -13.309 11.096 0.578 1.00 10.00 C ATOM 106 OH TYR A 8 -12.940 12.425 0.621 1.00 10.00 O ATOM 0 H TYR A 8 -12.168 7.152 -1.402 1.00 10.00 H new ATOM 0 HA TYR A 8 -13.960 5.100 -0.349 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -15.563 6.928 0.350 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.250 6.521 1.436 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -15.397 9.017 -1.041 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -12.639 8.167 2.083 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -14.738 11.378 -0.986 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -11.967 10.526 2.139 1.00 10.00 H new ATOM 0 HH TYR A 8 -12.250 12.551 1.305 1.00 10.00 H new ATOM 116 N GLY A 9 -14.271 5.454 -2.884 1.00 10.00 N ATOM 117 CA GLY A 9 -14.882 5.562 -4.182 1.00 10.00 C ATOM 118 C GLY A 9 -13.891 5.530 -5.331 1.00 10.00 C ATOM 119 O GLY A 9 -14.296 5.599 -6.491 1.00 10.00 O ATOM 0 H GLY A 9 -13.684 4.631 -2.748 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.595 4.747 -4.307 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.449 6.491 -4.230 1.00 10.00 H new ATOM 123 N CYS A 10 -12.592 5.422 -5.044 1.00 10.00 N ATOM 124 CA CYS A 10 -11.575 5.413 -6.085 1.00 10.00 C ATOM 125 C CYS A 10 -11.198 4.027 -6.568 1.00 10.00 C ATOM 126 O CYS A 10 -10.153 3.489 -6.182 1.00 10.00 O ATOM 127 CB CYS A 10 -10.327 6.155 -5.610 1.00 10.00 C ATOM 128 SG CYS A 10 -8.983 6.124 -6.808 1.00 10.00 S ATOM 0 H CYS A 10 -12.224 5.340 -4.096 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.018 5.924 -6.940 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.588 7.191 -5.394 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.982 5.712 -4.676 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.944 6.725 -6.310 1.00 10.00 H new ATOM 133 N LYS A 11 -12.056 3.412 -7.359 1.00 10.00 N ATOM 134 CA LYS A 11 -11.707 2.128 -7.931 1.00 10.00 C ATOM 135 C LYS A 11 -10.694 2.402 -9.036 1.00 10.00 C ATOM 136 O LYS A 11 -11.016 2.237 -10.213 1.00 10.00 O ATOM 137 CB LYS A 11 -12.918 1.409 -8.495 1.00 10.00 C ATOM 138 CG LYS A 11 -13.936 1.022 -7.444 1.00 10.00 C ATOM 139 CD LYS A 11 -14.802 -0.135 -7.913 1.00 10.00 C ATOM 140 CE LYS A 11 -15.725 -0.606 -6.799 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.285 -1.958 -7.064 1.00 10.00 N ATOM 0 H LYS A 11 -12.976 3.769 -7.615 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.296 1.477 -7.160 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.398 2.049 -9.236 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.587 0.511 -9.016 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.423 0.745 -6.523 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.567 1.880 -7.212 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.393 0.174 -8.775 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.169 -0.960 -8.240 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.176 -0.621 -5.857 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.542 0.106 -6.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.907 -2.236 -6.278 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.831 -1.940 -7.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.509 -2.645 -7.150 1.00 10.00 H new ATOM 155 N ASN A 12 -9.490 2.832 -8.703 1.00 10.00 N ATOM 156 CA ASN A 12 -8.492 3.147 -9.729 1.00 10.00 C ATOM 157 C ASN A 12 -7.630 1.952 -10.092 1.00 10.00 C ATOM 158 O ASN A 12 -6.457 2.126 -10.412 1.00 10.00 O ATOM 159 CB ASN A 12 -7.602 4.289 -9.271 1.00 10.00 C ATOM 160 CG ASN A 12 -7.919 5.600 -9.977 1.00 10.00 C ATOM 161 OD1 ASN A 12 -9.059 5.847 -10.365 1.00 10.00 O ATOM 162 ND2 ASN A 12 -6.915 6.447 -10.155 1.00 10.00 N ATOM 0 H ASN A 12 -9.175 2.972 -7.743 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.046 3.440 -10.621 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.715 4.424 -8.195 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.560 4.027 -9.451 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -7.076 7.337 -10.627 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -5.981 6.209 -9.820 1.00 10.00 H new ATOM 169 N ARG A 13 -8.219 0.765 -9.975 1.00 10.00 N ATOM 170 CA ARG A 13 -7.565 -0.532 -10.269 1.00 10.00 C ATOM 171 C ARG A 13 -6.408 -0.398 -11.256 1.00 10.00 C ATOM 172 O ARG A 13 -6.528 0.319 -12.256 1.00 10.00 O ATOM 173 CB ARG A 13 -8.600 -1.496 -10.832 1.00 10.00 C ATOM 174 CG ARG A 13 -8.807 -2.748 -10.000 1.00 10.00 C ATOM 175 CD ARG A 13 -7.564 -3.619 -9.963 1.00 10.00 C ATOM 176 NE ARG A 13 -7.893 -5.041 -10.060 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.995 -6.003 -10.277 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.709 -5.702 -10.400 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.386 -7.268 -10.373 1.00 10.00 N ATOM 0 H ARG A 13 -9.186 0.663 -9.667 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.150 -0.909 -9.334 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.552 -0.974 -10.925 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.298 -1.788 -11.838 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.083 -2.466 -8.984 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.639 -3.321 -10.409 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.902 -3.342 -10.784 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -7.019 -3.435 -9.037 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.870 -5.314 -9.955 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.403 -4.732 -10.329 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.026 -6.441 -10.566 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -8.374 -7.505 -10.281 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.699 -8.003 -10.539 1.00 10.00 H new ATOM 193 N TYR A 14 -5.319 -1.144 -10.996 1.00 10.00 N ATOM 194 CA TYR A 14 -4.109 -1.074 -11.818 1.00 10.00 C ATOM 195 C TYR A 14 -4.464 -1.101 -13.294 1.00 10.00 C ATOM 196 O TYR A 14 -4.948 -2.097 -13.836 1.00 10.00 O ATOM 197 CB TYR A 14 -3.136 -2.212 -11.487 1.00 10.00 C ATOM 198 CG TYR A 14 -1.705 -1.748 -11.213 1.00 10.00 C ATOM 199 CD1 TYR A 14 -0.970 -1.018 -12.158 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.087 -2.034 -9.996 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.323 -0.596 -11.883 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.202 -1.612 -9.726 1.00 10.00 C ATOM 203 CZ TYR A 14 0.903 -0.894 -10.665 1.00 10.00 C ATOM 204 OH TYR A 14 2.191 -0.477 -10.387 1.00 10.00 O ATOM 0 H TYR A 14 -5.258 -1.803 -10.219 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.612 -0.131 -11.590 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.506 -2.750 -10.614 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.125 -2.919 -12.316 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.416 -0.781 -13.113 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.626 -2.597 -9.249 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.876 -0.034 -12.621 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.658 -1.847 -8.776 1.00 10.00 H new ATOM 0 HH TYR A 14 2.443 -0.770 -9.486 1.00 10.00 H new ATOM 214 N ASP A 15 -4.228 0.027 -13.917 1.00 10.00 N ATOM 215 CA ASP A 15 -4.436 0.198 -15.326 1.00 10.00 C ATOM 216 C ASP A 15 -3.269 1.016 -15.799 1.00 10.00 C ATOM 217 O ASP A 15 -3.138 2.183 -15.451 1.00 10.00 O ATOM 218 CB ASP A 15 -5.768 0.892 -15.626 1.00 10.00 C ATOM 219 CG ASP A 15 -6.557 0.196 -16.716 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.954 -0.571 -17.497 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.784 0.411 -16.790 1.00 10.00 O ATOM 0 H ASP A 15 -3.880 0.863 -13.448 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.493 -0.761 -15.841 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.367 0.928 -14.716 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.577 1.923 -15.923 1.00 10.00 H new ATOM 226 N LYS A 16 -2.394 0.367 -16.535 1.00 10.00 N ATOM 227 CA LYS A 16 -1.202 0.993 -17.087 1.00 10.00 C ATOM 228 C LYS A 16 -1.565 2.184 -17.977 1.00 10.00 C ATOM 229 O LYS A 16 -0.744 3.062 -18.251 1.00 10.00 O ATOM 230 CB LYS A 16 -0.454 -0.058 -17.879 1.00 10.00 C ATOM 231 CG LYS A 16 -0.921 -0.168 -19.325 1.00 10.00 C ATOM 232 CD LYS A 16 -1.718 -1.441 -19.563 1.00 10.00 C ATOM 233 CE LYS A 16 -0.892 -2.696 -19.337 1.00 10.00 C ATOM 234 NZ LYS A 16 0.307 -2.731 -20.208 1.00 10.00 N ATOM 0 H LYS A 16 -2.487 -0.621 -16.772 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.577 1.378 -16.281 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.611 0.176 -17.865 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.575 -1.025 -17.391 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.534 0.698 -19.576 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.057 -0.150 -19.989 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -2.582 -1.454 -18.899 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.101 -1.441 -20.584 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.584 -2.745 -18.293 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.507 -3.575 -19.530 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 0.731 -3.680 -20.177 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 0.033 -2.507 -21.186 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 1.000 -2.031 -19.874 1.00 10.00 H new ATOM 248 N ASP A 17 -2.807 2.172 -18.430 1.00 10.00 N ATOM 249 CA ASP A 17 -3.347 3.240 -19.258 1.00 10.00 C ATOM 250 C ASP A 17 -3.421 4.528 -18.452 1.00 10.00 C ATOM 251 O ASP A 17 -3.371 5.630 -18.996 1.00 10.00 O ATOM 252 CB ASP A 17 -4.730 2.868 -19.762 1.00 10.00 C ATOM 253 CG ASP A 17 -4.690 2.135 -21.090 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.222 2.728 -22.085 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.137 0.969 -21.152 1.00 10.00 O ATOM 0 H ASP A 17 -3.470 1.422 -18.235 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.690 3.388 -20.115 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.226 2.242 -19.021 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.329 3.772 -19.868 1.00 10.00 H new ATOM 260 N LYS A 18 -3.536 4.366 -17.139 1.00 10.00 N ATOM 261 CA LYS A 18 -3.592 5.492 -16.214 1.00 10.00 C ATOM 262 C LYS A 18 -2.236 5.588 -15.507 1.00 10.00 C ATOM 263 O LYS A 18 -1.590 4.565 -15.275 1.00 10.00 O ATOM 264 CB LYS A 18 -4.751 5.318 -15.208 1.00 10.00 C ATOM 265 CG LYS A 18 -4.350 4.682 -13.888 1.00 10.00 C ATOM 266 CD LYS A 18 -5.343 3.616 -13.452 1.00 10.00 C ATOM 267 CE LYS A 18 -6.765 4.152 -13.367 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.779 3.129 -13.754 1.00 10.00 N ATOM 0 H LYS A 18 -3.593 3.454 -16.687 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.787 6.419 -16.753 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.191 6.295 -15.007 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.527 4.708 -15.670 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.359 4.238 -13.984 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.282 5.452 -13.119 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.312 2.784 -14.156 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.047 3.222 -12.480 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.963 4.490 -12.350 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.863 5.021 -14.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.732 3.539 -13.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.608 2.824 -14.733 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.705 2.309 -13.118 1.00 10.00 H new ATOM 282 N PRO A 19 -1.757 6.786 -15.152 1.00 10.00 N ATOM 283 CA PRO A 19 -0.447 6.913 -14.521 1.00 10.00 C ATOM 284 C PRO A 19 -0.446 6.791 -12.999 1.00 10.00 C ATOM 285 O PRO A 19 -0.299 7.790 -12.293 1.00 10.00 O ATOM 286 CB PRO A 19 -0.042 8.321 -14.946 1.00 10.00 C ATOM 287 CG PRO A 19 -1.323 9.088 -14.981 1.00 10.00 C ATOM 288 CD PRO A 19 -2.405 8.100 -15.355 1.00 10.00 C ATOM 0 HA PRO A 19 0.224 6.110 -14.825 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.664 8.760 -14.241 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.444 8.316 -15.922 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.530 9.542 -14.012 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.270 9.899 -15.708 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.288 8.214 -14.726 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.730 8.232 -16.387 1.00 10.00 H new ATOM 296 N VAL A 20 -0.591 5.579 -12.476 1.00 10.00 N ATOM 297 CA VAL A 20 -0.576 5.405 -11.027 1.00 10.00 C ATOM 298 C VAL A 20 0.140 4.112 -10.609 1.00 10.00 C ATOM 299 O VAL A 20 0.083 3.094 -11.299 1.00 10.00 O ATOM 300 CB VAL A 20 -2.009 5.437 -10.381 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.875 6.572 -10.923 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.739 4.117 -10.538 1.00 10.00 C ATOM 0 H VAL A 20 -0.717 4.723 -13.016 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.020 6.263 -10.649 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.842 5.617 -9.319 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.853 6.545 -10.442 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.394 7.528 -10.715 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.997 6.454 -12.000 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.724 4.189 -10.076 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.851 3.887 -11.598 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.168 3.325 -10.053 1.00 10.00 H new ATOM 312 N SER A 21 0.865 4.207 -9.494 1.00 10.00 N ATOM 313 CA SER A 21 1.586 3.081 -8.901 1.00 10.00 C ATOM 314 C SER A 21 0.817 2.613 -7.673 1.00 10.00 C ATOM 315 O SER A 21 -0.047 3.351 -7.183 1.00 10.00 O ATOM 316 CB SER A 21 2.993 3.522 -8.510 1.00 10.00 C ATOM 317 OG SER A 21 2.991 4.871 -8.069 1.00 10.00 O ATOM 0 H SER A 21 0.969 5.077 -8.972 1.00 10.00 H new ATOM 0 HA SER A 21 1.668 2.263 -9.617 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.375 2.876 -7.720 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.664 3.414 -9.362 1.00 10.00 H new ATOM 0 HG SER A 21 2.598 4.922 -7.173 1.00 10.00 H new ATOM 323 N PHE A 22 1.133 1.443 -7.124 1.00 10.00 N ATOM 324 CA PHE A 22 0.359 0.973 -5.986 1.00 10.00 C ATOM 325 C PHE A 22 1.124 0.768 -4.663 1.00 10.00 C ATOM 326 O PHE A 22 1.828 -0.221 -4.490 1.00 10.00 O ATOM 327 CB PHE A 22 -0.436 -0.278 -6.359 1.00 10.00 C ATOM 328 CG PHE A 22 -1.912 -0.022 -6.490 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.722 0.042 -5.367 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.490 0.157 -7.735 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.077 0.279 -5.483 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.845 0.397 -7.859 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.639 0.457 -6.733 1.00 10.00 C ATOM 0 H PHE A 22 1.886 0.828 -7.433 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.312 1.803 -5.763 1.00 10.00 H new ATOM 0 HB2 PHE A 22 -0.057 -0.674 -7.301 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.272 -1.045 -5.602 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.287 -0.095 -4.388 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.874 0.108 -8.621 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.696 0.325 -4.599 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.282 0.537 -8.837 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.699 0.643 -6.828 1.00 10.00 H new ATOM 343 N HIS A 23 0.985 1.681 -3.730 1.00 10.00 N ATOM 344 CA HIS A 23 1.828 1.675 -2.524 1.00 10.00 C ATOM 345 C HIS A 23 1.132 1.258 -1.265 1.00 10.00 C ATOM 346 O HIS A 23 -0.057 1.294 -1.169 1.00 10.00 O ATOM 347 CB HIS A 23 2.325 3.083 -2.251 1.00 10.00 C ATOM 348 CG HIS A 23 1.988 4.031 -3.325 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.726 4.509 -3.446 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.675 4.476 -4.394 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.623 5.192 -4.540 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.798 5.202 -5.152 1.00 10.00 N ATOM 0 H HIS A 23 0.304 2.440 -3.768 1.00 10.00 H new ATOM 0 HA HIS A 23 2.613 0.953 -2.746 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.897 3.438 -1.313 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.407 3.061 -2.120 1.00 10.00 H new ATOM 0 HD1 HIS A 23 -0.028 4.354 -2.777 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.717 4.295 -4.611 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.275 5.675 -4.896 1.00 10.00 H new ATOM 361 N LYS A 24 1.917 0.913 -0.281 1.00 10.00 N ATOM 362 CA LYS A 24 1.339 0.518 0.981 1.00 10.00 C ATOM 363 C LYS A 24 1.289 1.683 1.981 1.00 10.00 C ATOM 364 O LYS A 24 1.935 2.704 1.739 1.00 10.00 O ATOM 365 CB LYS A 24 2.149 -0.632 1.576 1.00 10.00 C ATOM 366 CG LYS A 24 2.088 -1.910 0.757 1.00 10.00 C ATOM 367 CD LYS A 24 1.335 -3.014 1.481 1.00 10.00 C ATOM 368 CE LYS A 24 1.987 -3.376 2.812 1.00 10.00 C ATOM 369 NZ LYS A 24 3.420 -3.751 2.647 1.00 10.00 N ATOM 0 H LYS A 24 2.936 0.896 -0.322 1.00 10.00 H new ATOM 0 HA LYS A 24 0.314 0.199 0.791 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.189 -0.321 1.671 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.785 -0.838 2.583 1.00 10.00 H new ATOM 0 HG2 LYS A 24 1.603 -1.706 -0.198 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.100 -2.247 0.535 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.307 -2.697 1.656 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.292 -3.899 0.846 1.00 10.00 H new ATOM 0 HE2 LYS A 24 1.910 -2.530 3.496 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.445 -4.205 3.268 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.774 -4.166 3.532 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.511 -4.446 1.879 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 3.976 -2.903 2.415 1.00 10.00 H new ATOM 383 N PHE A 25 0.539 1.577 3.066 1.00 10.00 N ATOM 384 CA PHE A 25 0.494 2.667 4.052 1.00 10.00 C ATOM 385 C PHE A 25 1.886 2.927 4.648 1.00 10.00 C ATOM 386 O PHE A 25 2.734 2.033 4.654 1.00 10.00 O ATOM 387 CB PHE A 25 -0.431 2.296 5.200 1.00 10.00 C ATOM 388 CG PHE A 25 -1.765 2.992 5.225 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.700 2.775 4.238 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.098 3.823 6.278 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.945 3.372 4.295 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.336 4.430 6.343 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.263 4.203 5.350 1.00 10.00 C ATOM 0 H PHE A 25 -0.040 0.768 3.292 1.00 10.00 H new ATOM 0 HA PHE A 25 0.136 3.558 3.536 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.605 1.221 5.167 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.084 2.506 6.137 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.457 2.129 3.407 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.378 4.000 7.063 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.669 3.188 3.515 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.577 5.081 7.170 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.234 4.673 5.397 1.00 10.00 H new ATOM 403 N PRO A 26 2.128 4.137 5.199 1.00 10.00 N ATOM 404 CA PRO A 26 3.413 4.491 5.839 1.00 10.00 C ATOM 405 C PRO A 26 3.455 3.886 7.239 1.00 10.00 C ATOM 406 O PRO A 26 3.447 4.578 8.257 1.00 10.00 O ATOM 407 CB PRO A 26 3.288 6.007 5.968 1.00 10.00 C ATOM 408 CG PRO A 26 1.839 6.192 6.239 1.00 10.00 C ATOM 409 CD PRO A 26 1.164 5.254 5.284 1.00 10.00 C ATOM 0 HA PRO A 26 4.294 4.150 5.296 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.905 6.397 6.778 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.598 6.518 5.057 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.593 5.952 7.274 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.531 7.224 6.069 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.193 4.925 5.656 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.993 5.717 4.312 1.00 10.00 H new ATOM 417 N LEU A 27 3.511 2.561 7.235 1.00 10.00 N ATOM 418 CA LEU A 27 3.481 1.732 8.429 1.00 10.00 C ATOM 419 C LEU A 27 4.482 2.090 9.494 1.00 10.00 C ATOM 420 O LEU A 27 4.263 2.023 10.703 1.00 10.00 O ATOM 421 CB LEU A 27 3.615 0.257 8.051 1.00 10.00 C ATOM 422 CG LEU A 27 2.297 -0.414 7.679 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.513 -1.876 7.322 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.310 -0.266 8.826 1.00 10.00 C ATOM 0 H LEU A 27 3.581 2.019 6.374 1.00 10.00 H new ATOM 0 HA LEU A 27 2.509 1.929 8.882 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.304 0.170 7.211 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.061 -0.282 8.887 1.00 10.00 H new ATOM 0 HG LEU A 27 1.884 0.076 6.797 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.558 -2.332 7.061 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.193 -1.947 6.473 1.00 10.00 H new ATOM 0 HD13 LEU A 27 2.943 -2.399 8.176 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.368 -0.746 8.560 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.718 -0.738 9.720 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.136 0.792 9.022 1.00 10.00 H new ATOM 436 N THR A 28 5.592 2.521 8.927 1.00 10.00 N ATOM 437 CA THR A 28 6.800 2.875 9.626 1.00 10.00 C ATOM 438 C THR A 28 6.798 4.310 10.139 1.00 10.00 C ATOM 439 O THR A 28 7.742 4.771 10.787 1.00 10.00 O ATOM 440 CB THR A 28 7.983 2.701 8.649 1.00 10.00 C ATOM 441 OG1 THR A 28 7.930 3.717 7.634 1.00 10.00 O ATOM 442 CG2 THR A 28 7.929 1.346 7.966 1.00 10.00 C ATOM 0 H THR A 28 5.674 2.637 7.917 1.00 10.00 H new ATOM 0 HA THR A 28 6.883 2.225 10.497 1.00 10.00 H new ATOM 0 HB THR A 28 8.905 2.781 9.225 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.683 3.603 7.018 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.773 1.249 7.283 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.977 0.558 8.717 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.998 1.257 7.406 1.00 10.00 H new ATOM 450 N ARG A 29 5.705 4.995 9.842 1.00 10.00 N ATOM 451 CA ARG A 29 5.460 6.326 10.334 1.00 10.00 C ATOM 452 C ARG A 29 4.022 6.337 10.810 1.00 10.00 C ATOM 453 O ARG A 29 3.180 7.032 10.255 1.00 10.00 O ATOM 454 CB ARG A 29 5.691 7.363 9.238 1.00 10.00 C ATOM 455 CG ARG A 29 5.820 8.776 9.769 1.00 10.00 C ATOM 456 CD ARG A 29 6.501 9.684 8.768 1.00 10.00 C ATOM 457 NE ARG A 29 7.865 10.005 9.167 1.00 10.00 N ATOM 458 CZ ARG A 29 8.904 10.023 8.334 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.734 9.727 7.053 1.00 10.00 N ATOM 460 NH2 ARG A 29 10.110 10.350 8.779 1.00 10.00 N ATOM 0 H ARG A 29 4.961 4.632 9.246 1.00 10.00 H new ATOM 0 HA ARG A 29 6.142 6.584 11.144 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.596 7.105 8.688 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.864 7.323 8.529 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.831 9.169 10.005 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.389 8.766 10.699 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.512 9.203 7.790 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.927 10.605 8.663 1.00 10.00 H new ATOM 0 HE ARG A 29 8.035 10.230 10.147 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.807 9.485 6.704 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.531 9.741 6.416 1.00 10.00 H new ATOM 0 HH21 ARG A 29 10.244 10.589 9.762 1.00 10.00 H new ATOM 0 HH22 ARG A 29 10.904 10.363 8.139 1.00 10.00 H new ATOM 474 N PRO A 30 3.727 5.535 11.851 1.00 10.00 N ATOM 475 CA PRO A 30 2.379 5.369 12.372 1.00 10.00 C ATOM 476 C PRO A 30 1.639 6.668 12.625 1.00 10.00 C ATOM 477 O PRO A 30 0.525 6.829 12.159 1.00 10.00 O ATOM 478 CB PRO A 30 2.560 4.624 13.690 1.00 10.00 C ATOM 479 CG PRO A 30 4.026 4.604 13.958 1.00 10.00 C ATOM 480 CD PRO A 30 4.692 4.739 12.624 1.00 10.00 C ATOM 0 HA PRO A 30 1.770 4.842 11.637 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.024 5.124 14.497 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.163 3.611 13.623 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.312 5.420 14.621 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.320 3.676 14.449 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.657 5.240 12.703 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.874 3.768 12.164 1.00 10.00 H new ATOM 488 N SER A 31 2.247 7.589 13.359 1.00 10.00 N ATOM 489 CA SER A 31 1.608 8.861 13.659 1.00 10.00 C ATOM 490 C SER A 31 1.101 9.488 12.365 1.00 10.00 C ATOM 491 O SER A 31 -0.070 9.847 12.248 1.00 10.00 O ATOM 492 CB SER A 31 2.605 9.775 14.374 1.00 10.00 C ATOM 493 OG SER A 31 3.566 9.002 15.086 1.00 10.00 O ATOM 0 H SER A 31 3.180 7.479 13.757 1.00 10.00 H new ATOM 0 HA SER A 31 0.755 8.710 14.320 1.00 10.00 H new ATOM 0 HB2 SER A 31 3.108 10.413 13.648 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.075 10.433 15.063 1.00 10.00 H new ATOM 0 HG SER A 31 4.198 9.600 15.537 1.00 10.00 H new ATOM 499 N LEU A 32 1.964 9.505 11.365 1.00 10.00 N ATOM 500 CA LEU A 32 1.629 10.060 10.069 1.00 10.00 C ATOM 501 C LEU A 32 0.624 9.137 9.394 1.00 10.00 C ATOM 502 O LEU A 32 -0.314 9.588 8.740 1.00 10.00 O ATOM 503 CB LEU A 32 2.924 10.199 9.245 1.00 10.00 C ATOM 504 CG LEU A 32 2.831 10.901 7.897 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.539 9.907 6.789 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.792 11.989 7.954 1.00 10.00 C ATOM 0 H LEU A 32 2.913 9.136 11.429 1.00 10.00 H new ATOM 0 HA LEU A 32 1.177 11.048 10.161 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.653 10.735 9.853 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.323 9.199 9.076 1.00 10.00 H new ATOM 0 HG LEU A 32 3.793 11.362 7.671 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.477 10.432 5.836 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.338 9.167 6.744 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.592 9.407 6.990 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.732 12.486 6.986 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.823 11.554 8.199 1.00 10.00 H new ATOM 0 HD23 LEU A 32 2.068 12.716 8.718 1.00 10.00 H new ATOM 518 N CYS A 33 0.767 7.847 9.655 1.00 10.00 N ATOM 519 CA CYS A 33 -0.116 6.853 9.092 1.00 10.00 C ATOM 520 C CYS A 33 -1.513 7.140 9.586 1.00 10.00 C ATOM 521 O CYS A 33 -2.490 7.042 8.851 1.00 10.00 O ATOM 522 CB CYS A 33 0.305 5.473 9.588 1.00 10.00 C ATOM 523 SG CYS A 33 -0.702 4.105 8.992 1.00 10.00 S ATOM 0 H CYS A 33 1.495 7.467 10.260 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.076 6.880 8.003 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.339 5.298 9.292 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.281 5.473 10.678 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.800 4.170 7.697 1.00 10.00 H new ATOM 529 N LYS A 34 -1.579 7.547 10.834 1.00 10.00 N ATOM 530 CA LYS A 34 -2.803 7.793 11.515 1.00 10.00 C ATOM 531 C LYS A 34 -3.577 8.961 10.957 1.00 10.00 C ATOM 532 O LYS A 34 -4.805 8.965 11.041 1.00 10.00 O ATOM 533 CB LYS A 34 -2.436 7.990 12.976 1.00 10.00 C ATOM 534 CG LYS A 34 -3.374 8.889 13.756 1.00 10.00 C ATOM 535 CD LYS A 34 -2.615 10.052 14.374 1.00 10.00 C ATOM 536 CE LYS A 34 -3.300 10.560 15.635 1.00 10.00 C ATOM 537 NZ LYS A 34 -2.706 11.837 16.100 1.00 10.00 N ATOM 0 H LYS A 34 -0.753 7.717 11.407 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.482 6.950 11.385 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.404 7.015 13.462 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.430 8.406 13.029 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.155 9.268 13.096 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.869 8.314 14.539 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.599 9.739 14.612 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.537 10.863 13.650 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.363 10.702 15.441 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -3.217 9.811 16.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.196 12.155 16.961 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -1.697 11.695 16.308 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.808 12.558 15.357 1.00 10.00 H new ATOM 551 N GLU A 35 -2.934 9.944 10.354 1.00 10.00 N ATOM 552 CA GLU A 35 -3.759 11.017 9.848 1.00 10.00 C ATOM 553 C GLU A 35 -4.458 10.555 8.612 1.00 10.00 C ATOM 554 O GLU A 35 -5.519 11.076 8.275 1.00 10.00 O ATOM 555 CB GLU A 35 -3.051 12.317 9.576 1.00 10.00 C ATOM 556 CG GLU A 35 -1.562 12.190 9.374 1.00 10.00 C ATOM 557 CD GLU A 35 -0.829 13.487 9.649 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.080 14.488 8.948 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.015 13.515 10.591 1.00 10.00 O ATOM 0 H GLU A 35 -1.927 10.022 10.211 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.459 11.247 10.652 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.487 12.774 8.688 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.235 12.997 10.408 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.174 11.411 10.030 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.363 11.873 8.350 1.00 10.00 H new ATOM 566 N TRP A 36 -3.888 9.544 7.953 1.00 10.00 N ATOM 567 CA TRP A 36 -4.527 9.006 6.768 1.00 10.00 C ATOM 568 C TRP A 36 -5.921 8.598 7.204 1.00 10.00 C ATOM 569 O TRP A 36 -6.874 8.773 6.449 1.00 10.00 O ATOM 570 CB TRP A 36 -3.758 7.807 6.186 1.00 10.00 C ATOM 571 CG TRP A 36 -2.411 8.164 5.621 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.539 9.091 6.121 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.776 7.601 4.455 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.415 9.158 5.329 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.531 8.249 4.314 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.129 6.618 3.506 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.352 7.957 3.284 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.244 6.333 2.482 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.016 7.001 2.378 1.00 10.00 C ATOM 0 H TRP A 36 -3.010 9.097 8.216 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.550 9.749 5.971 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.627 7.058 6.967 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.360 7.348 5.402 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.707 9.684 7.008 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.376 9.784 5.476 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.073 6.098 3.578 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.300 8.468 3.201 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.504 5.583 1.750 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.653 6.756 1.566 1.00 10.00 H new ATOM 590 N GLU A 37 -6.051 8.174 8.469 1.00 10.00 N ATOM 591 CA GLU A 37 -7.332 7.728 8.975 1.00 10.00 C ATOM 592 C GLU A 37 -8.394 8.797 8.763 1.00 10.00 C ATOM 593 O GLU A 37 -9.496 8.573 8.275 1.00 10.00 O ATOM 594 CB GLU A 37 -7.267 7.298 10.448 1.00 10.00 C ATOM 595 CG GLU A 37 -6.240 6.211 10.746 1.00 10.00 C ATOM 596 CD GLU A 37 -6.625 4.824 10.260 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.804 4.448 10.400 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.730 4.084 9.782 1.00 10.00 O ATOM 0 H GLU A 37 -5.288 8.135 9.144 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.610 6.842 8.405 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.040 8.172 11.058 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.251 6.943 10.753 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.291 6.491 10.288 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.075 6.171 11.823 1.00 10.00 H new ATOM 605 N ALA A 38 -7.949 10.003 9.181 1.00 10.00 N ATOM 606 CA ALA A 38 -8.706 11.252 9.135 1.00 10.00 C ATOM 607 C ALA A 38 -9.233 11.551 7.743 1.00 10.00 C ATOM 608 O ALA A 38 -10.324 12.096 7.600 1.00 10.00 O ATOM 609 CB ALA A 38 -7.824 12.396 9.625 1.00 10.00 C ATOM 0 H ALA A 38 -7.015 10.127 9.573 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.573 11.145 9.788 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.386 13.329 9.592 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.508 12.199 10.650 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.946 12.479 8.984 1.00 10.00 H new ATOM 615 N ALA A 39 -8.484 11.225 6.722 1.00 10.00 N ATOM 616 CA ALA A 39 -8.957 11.475 5.370 1.00 10.00 C ATOM 617 C ALA A 39 -9.756 10.287 4.846 1.00 10.00 C ATOM 618 O ALA A 39 -10.487 10.405 3.863 1.00 10.00 O ATOM 619 CB ALA A 39 -7.794 11.795 4.445 1.00 10.00 C ATOM 0 H ALA A 39 -7.562 10.794 6.788 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.619 12.341 5.396 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.170 11.979 3.438 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.275 12.683 4.806 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.102 10.953 4.426 1.00 10.00 H new ATOM 625 N VAL A 40 -9.642 9.155 5.532 1.00 10.00 N ATOM 626 CA VAL A 40 -10.428 7.971 5.209 1.00 10.00 C ATOM 627 C VAL A 40 -11.725 8.018 6.048 1.00 10.00 C ATOM 628 O VAL A 40 -12.286 6.998 6.434 1.00 10.00 O ATOM 629 CB VAL A 40 -9.646 6.663 5.482 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.396 5.455 4.934 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.251 6.731 4.876 1.00 10.00 C ATOM 0 H VAL A 40 -9.007 9.033 6.321 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.660 7.973 4.144 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.552 6.551 6.562 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -9.826 4.549 5.139 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.373 5.385 5.413 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.527 5.566 3.858 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.720 5.801 5.080 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.329 6.875 3.798 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.704 7.565 5.315 1.00 10.00 H new ATOM 641 N ARG A 41 -12.179 9.245 6.325 1.00 10.00 N ATOM 642 CA ARG A 41 -13.385 9.527 7.138 1.00 10.00 C ATOM 643 C ARG A 41 -14.683 8.927 6.580 1.00 10.00 C ATOM 644 O ARG A 41 -15.777 9.289 7.019 1.00 10.00 O ATOM 645 CB ARG A 41 -13.565 11.047 7.316 1.00 10.00 C ATOM 646 CG ARG A 41 -12.952 11.893 6.204 1.00 10.00 C ATOM 647 CD ARG A 41 -13.627 11.670 4.862 1.00 10.00 C ATOM 648 NE ARG A 41 -15.024 12.089 4.862 1.00 10.00 N ATOM 649 CZ ARG A 41 -15.655 12.559 3.791 1.00 10.00 C ATOM 650 NH1 ARG A 41 -14.996 12.728 2.650 1.00 10.00 N ATOM 651 NH2 ARG A 41 -16.940 12.878 3.866 1.00 10.00 N ATOM 0 H ARG A 41 -11.717 10.090 5.989 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.206 9.040 8.096 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.630 11.269 7.378 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.122 11.343 8.267 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -13.024 12.947 6.472 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -11.891 11.658 6.117 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.086 12.220 4.091 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.568 10.613 4.601 1.00 10.00 H new ATOM 0 HE ARG A 41 -15.547 12.017 5.735 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -14.004 12.497 2.595 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -15.482 13.089 1.829 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -17.444 12.763 4.745 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -17.425 13.239 3.044 1.00 10.00 H new ATOM 665 N ARG A 42 -14.578 8.021 5.640 1.00 10.00 N ATOM 666 CA ARG A 42 -15.747 7.404 5.054 1.00 10.00 C ATOM 667 C ARG A 42 -16.270 6.288 5.929 1.00 10.00 C ATOM 668 O ARG A 42 -15.511 5.670 6.683 1.00 10.00 O ATOM 669 CB ARG A 42 -15.389 6.795 3.707 1.00 10.00 C ATOM 670 CG ARG A 42 -16.567 6.178 2.966 1.00 10.00 C ATOM 671 CD ARG A 42 -17.404 7.237 2.269 1.00 10.00 C ATOM 672 NE ARG A 42 -18.526 6.660 1.516 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.768 7.150 1.530 1.00 10.00 C ATOM 674 NH1 ARG A 42 -20.069 8.184 2.306 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.706 6.606 0.756 1.00 10.00 N ATOM 0 H ARG A 42 -13.690 7.691 5.261 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.506 8.179 4.947 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.944 7.567 3.079 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.628 6.029 3.858 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.201 5.461 2.231 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.190 5.625 3.668 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.790 7.937 3.010 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -16.770 7.808 1.590 1.00 10.00 H new ATOM 0 HE ARG A 42 -18.345 5.833 0.947 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -19.351 8.607 2.894 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -21.019 8.556 2.314 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.475 5.816 0.154 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.655 6.979 0.766 1.00 10.00 H new ATOM 689 N LYS A 43 -17.572 6.050 5.857 1.00 10.00 N ATOM 690 CA LYS A 43 -18.135 4.928 6.561 1.00 10.00 C ATOM 691 C LYS A 43 -17.762 3.710 5.753 1.00 10.00 C ATOM 692 O LYS A 43 -17.479 3.833 4.562 1.00 10.00 O ATOM 693 CB LYS A 43 -19.660 4.974 6.689 1.00 10.00 C ATOM 694 CG LYS A 43 -20.212 3.725 7.368 1.00 10.00 C ATOM 695 CD LYS A 43 -21.621 3.910 7.874 1.00 10.00 C ATOM 696 CE LYS A 43 -22.628 3.209 6.981 1.00 10.00 C ATOM 697 NZ LYS A 43 -22.583 1.728 7.133 1.00 10.00 N ATOM 0 H LYS A 43 -18.239 6.611 5.327 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.748 4.926 7.580 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -19.950 5.856 7.260 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.104 5.075 5.699 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.190 2.894 6.663 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.564 3.453 8.201 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -21.699 3.519 8.889 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.855 4.974 7.923 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -23.630 3.566 7.217 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.433 3.471 5.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.531 1.333 6.967 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -21.915 1.328 6.443 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -22.272 1.487 8.096 1.00 10.00 H new ATOM 711 N ASN A 44 -17.777 2.551 6.371 1.00 10.00 N ATOM 712 CA ASN A 44 -17.442 1.337 5.684 1.00 10.00 C ATOM 713 C ASN A 44 -15.968 1.383 5.264 1.00 10.00 C ATOM 714 O ASN A 44 -15.605 0.839 4.224 1.00 10.00 O ATOM 715 CB ASN A 44 -18.354 1.134 4.460 1.00 10.00 C ATOM 716 CG ASN A 44 -19.835 1.277 4.761 1.00 10.00 C ATOM 717 OD1 ASN A 44 -20.296 0.977 5.862 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.598 1.720 3.771 1.00 10.00 N ATOM 0 H ASN A 44 -18.020 2.429 7.354 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.596 0.491 6.354 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -18.079 1.856 3.691 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.172 0.142 4.045 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -21.604 1.822 3.908 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.179 1.959 2.872 1.00 10.00 H new ATOM 725 N PHE A 45 -15.160 2.106 6.076 1.00 10.00 N ATOM 726 CA PHE A 45 -13.702 2.269 5.890 1.00 10.00 C ATOM 727 C PHE A 45 -13.089 1.048 5.187 1.00 10.00 C ATOM 728 O PHE A 45 -13.267 -0.090 5.625 1.00 10.00 O ATOM 729 CB PHE A 45 -13.050 2.515 7.288 1.00 10.00 C ATOM 730 CG PHE A 45 -11.552 2.811 7.324 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.646 1.944 6.750 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.047 3.949 7.965 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.290 2.182 6.790 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.685 4.191 8.005 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.808 3.310 7.416 1.00 10.00 C ATOM 0 H PHE A 45 -15.513 2.601 6.895 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.508 3.126 5.245 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.569 3.349 7.759 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.234 1.635 7.905 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -11.009 1.055 6.256 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.727 4.645 8.433 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.605 1.485 6.331 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.309 5.074 8.500 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.746 3.502 7.444 1.00 10.00 H new ATOM 745 N LYS A 46 -12.399 1.327 4.079 1.00 10.00 N ATOM 746 CA LYS A 46 -11.723 0.322 3.244 1.00 10.00 C ATOM 747 C LYS A 46 -10.685 -0.470 4.062 1.00 10.00 C ATOM 748 O LYS A 46 -10.657 -0.340 5.271 1.00 10.00 O ATOM 749 CB LYS A 46 -11.084 1.049 2.053 1.00 10.00 C ATOM 750 CG LYS A 46 -11.638 0.588 0.714 1.00 10.00 C ATOM 751 CD LYS A 46 -12.265 1.725 -0.069 1.00 10.00 C ATOM 752 CE LYS A 46 -12.944 1.211 -1.330 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.895 0.100 -1.042 1.00 10.00 N ATOM 0 H LYS A 46 -12.290 2.278 3.726 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.442 -0.411 2.877 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.247 2.122 2.158 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.006 0.887 2.070 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.836 0.142 0.125 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.383 -0.191 0.880 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.994 2.242 0.555 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.499 2.453 -0.335 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.479 2.029 -1.812 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.187 0.866 -2.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.558 -0.004 -1.836 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.365 -0.786 -0.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.426 0.314 -0.174 1.00 10.00 H new ATOM 767 N PRO A 47 -9.856 -1.350 3.437 1.00 10.00 N ATOM 768 CA PRO A 47 -8.835 -2.120 4.158 1.00 10.00 C ATOM 769 C PRO A 47 -8.033 -1.266 5.147 1.00 10.00 C ATOM 770 O PRO A 47 -8.093 -0.039 5.158 1.00 10.00 O ATOM 771 CB PRO A 47 -7.992 -2.710 3.047 1.00 10.00 C ATOM 772 CG PRO A 47 -8.924 -2.849 1.900 1.00 10.00 C ATOM 773 CD PRO A 47 -9.860 -1.680 2.005 1.00 10.00 C ATOM 0 HA PRO A 47 -9.262 -2.889 4.802 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.153 -2.060 2.799 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.574 -3.674 3.337 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.386 -2.838 0.952 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.467 -3.793 1.947 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.519 -0.840 1.401 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.861 -1.937 1.657 1.00 10.00 H new ATOM 781 N THR A 48 -7.166 -1.930 5.883 1.00 10.00 N ATOM 782 CA THR A 48 -6.229 -1.237 6.735 1.00 10.00 C ATOM 783 C THR A 48 -4.958 -1.296 5.946 1.00 10.00 C ATOM 784 O THR A 48 -4.786 -2.133 5.071 1.00 10.00 O ATOM 785 CB THR A 48 -5.976 -1.916 8.058 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.110 -3.055 7.866 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.277 -2.374 8.645 1.00 10.00 C ATOM 0 H THR A 48 -7.093 -2.947 5.907 1.00 10.00 H new ATOM 0 HA THR A 48 -6.605 -0.244 6.981 1.00 10.00 H new ATOM 0 HB THR A 48 -5.498 -1.209 8.736 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.947 -3.491 8.728 1.00 10.00 H new ATOM 0 HG21 THR A 48 -7.092 -2.864 9.601 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.930 -1.515 8.798 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.756 -3.077 7.963 1.00 10.00 H new ATOM 795 N LYS A 49 -4.106 -0.347 6.361 1.00 10.00 N ATOM 796 CA LYS A 49 -2.722 -0.100 5.930 1.00 10.00 C ATOM 797 C LYS A 49 -1.929 -1.267 5.379 1.00 10.00 C ATOM 798 O LYS A 49 -0.898 -1.050 4.741 1.00 10.00 O ATOM 799 CB LYS A 49 -1.964 0.417 7.159 1.00 10.00 C ATOM 800 CG LYS A 49 -2.176 -0.415 8.424 1.00 10.00 C ATOM 801 CD LYS A 49 -3.303 0.141 9.280 1.00 10.00 C ATOM 802 CE LYS A 49 -2.894 1.442 9.927 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.018 2.086 10.660 1.00 10.00 N ATOM 0 H LYS A 49 -4.394 0.327 7.070 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.810 0.590 5.091 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.899 0.444 6.930 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.273 1.443 7.357 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.402 -1.445 8.149 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.254 -0.436 9.005 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -4.189 0.298 8.665 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -3.573 -0.583 10.049 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -2.071 1.259 10.617 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -2.523 2.125 9.162 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -3.653 2.550 11.517 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.470 2.795 10.048 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.717 1.364 10.928 1.00 10.00 H new ATOM 817 N TYR A 50 -2.346 -2.468 5.626 1.00 10.00 N ATOM 818 CA TYR A 50 -1.670 -3.580 4.993 1.00 10.00 C ATOM 819 C TYR A 50 -2.144 -3.546 3.551 1.00 10.00 C ATOM 820 O TYR A 50 -1.423 -4.031 2.687 1.00 10.00 O ATOM 821 CB TYR A 50 -2.054 -4.889 5.645 1.00 10.00 C ATOM 822 CG TYR A 50 -1.523 -5.078 7.038 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.210 -5.456 7.249 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.355 -4.945 8.140 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.257 -5.714 8.510 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.886 -5.178 9.413 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.581 -5.572 9.586 1.00 10.00 C ATOM 828 OH TYR A 50 -0.126 -5.904 10.828 1.00 10.00 O ATOM 0 H TYR A 50 -3.124 -2.711 6.239 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.586 -3.501 5.078 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.141 -4.960 5.673 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.697 -5.708 5.021 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.458 -5.549 6.406 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.385 -4.655 7.997 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.280 -6.028 8.656 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.536 -5.053 10.266 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.833 -5.748 11.488 1.00 10.00 H new ATOM 838 N SER A 51 -3.310 -3.041 3.246 1.00 10.00 N ATOM 839 CA SER A 51 -3.660 -2.878 1.844 1.00 10.00 C ATOM 840 C SER A 51 -2.764 -1.810 1.222 1.00 10.00 C ATOM 841 O SER A 51 -1.988 -1.131 1.903 1.00 10.00 O ATOM 842 CB SER A 51 -5.112 -2.494 1.705 1.00 10.00 C ATOM 843 OG SER A 51 -5.465 -1.548 2.685 1.00 10.00 O ATOM 0 H SER A 51 -4.018 -2.742 3.917 1.00 10.00 H new ATOM 0 HA SER A 51 -3.508 -3.823 1.323 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.293 -2.083 0.712 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.740 -3.380 1.802 1.00 10.00 H new ATOM 0 HG SER A 51 -5.495 -1.982 3.563 1.00 10.00 H new ATOM 849 N SER A 52 -2.887 -1.671 -0.085 1.00 10.00 N ATOM 850 CA SER A 52 -2.118 -0.718 -0.833 1.00 10.00 C ATOM 851 C SER A 52 -3.053 0.413 -1.335 1.00 10.00 C ATOM 852 O SER A 52 -4.275 0.255 -1.397 1.00 10.00 O ATOM 853 CB SER A 52 -1.384 -1.465 -1.963 1.00 10.00 C ATOM 854 OG SER A 52 -2.024 -2.728 -2.277 1.00 10.00 O ATOM 0 H SER A 52 -3.530 -2.224 -0.653 1.00 10.00 H new ATOM 0 HA SER A 52 -1.358 -0.236 -0.218 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.357 -0.839 -2.855 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.350 -1.645 -1.668 1.00 10.00 H new ATOM 0 HG SER A 52 -1.533 -3.173 -2.999 1.00 10.00 H new ATOM 860 N ILE A 53 -2.433 1.550 -1.693 1.00 10.00 N ATOM 861 CA ILE A 53 -3.118 2.777 -2.110 1.00 10.00 C ATOM 862 C ILE A 53 -2.499 3.253 -3.448 1.00 10.00 C ATOM 863 O ILE A 53 -1.367 2.890 -3.739 1.00 10.00 O ATOM 864 CB ILE A 53 -2.995 3.891 -1.004 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.727 3.516 0.304 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.543 5.220 -1.492 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.030 2.473 1.153 1.00 10.00 C ATOM 0 H ILE A 53 -1.417 1.640 -1.699 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.181 2.577 -2.249 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.928 3.978 -0.797 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.859 4.419 0.900 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.723 3.152 0.053 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.443 5.966 -0.704 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.985 5.543 -2.371 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.595 5.106 -1.752 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.621 2.278 2.048 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.922 1.551 0.581 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.044 2.838 1.442 1.00 10.00 H new ATOM 879 N CYS A 54 -3.203 4.049 -4.269 1.00 10.00 N ATOM 880 CA CYS A 54 -2.623 4.523 -5.530 1.00 10.00 C ATOM 881 C CYS A 54 -2.228 6.025 -5.488 1.00 10.00 C ATOM 882 O CYS A 54 -2.809 6.835 -4.767 1.00 10.00 O ATOM 883 CB CYS A 54 -3.578 4.189 -6.678 1.00 10.00 C ATOM 884 SG CYS A 54 -5.106 5.128 -6.672 1.00 10.00 S ATOM 0 H CYS A 54 -4.154 4.371 -4.086 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.682 4.000 -5.698 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.064 4.362 -7.623 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.819 3.127 -6.636 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.948 4.581 -5.847 1.00 10.00 H new ATOM 889 N SER A 55 -1.211 6.325 -6.298 1.00 10.00 N ATOM 890 CA SER A 55 -0.507 7.631 -6.413 1.00 10.00 C ATOM 891 C SER A 55 -1.326 8.914 -6.337 1.00 10.00 C ATOM 892 O SER A 55 -0.975 9.818 -5.585 1.00 10.00 O ATOM 893 CB SER A 55 0.260 7.653 -7.731 1.00 10.00 C ATOM 894 OG SER A 55 -0.594 7.374 -8.815 1.00 10.00 O ATOM 0 H SER A 55 -0.823 5.629 -6.935 1.00 10.00 H new ATOM 0 HA SER A 55 0.111 7.657 -5.516 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.723 8.630 -7.870 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.066 6.919 -7.700 1.00 10.00 H new ATOM 0 HG SER A 55 -0.474 8.055 -9.510 1.00 10.00 H new ATOM 900 N GLU A 56 -2.386 8.983 -7.107 1.00 10.00 N ATOM 901 CA GLU A 56 -3.230 10.175 -7.231 1.00 10.00 C ATOM 902 C GLU A 56 -3.685 10.783 -5.903 1.00 10.00 C ATOM 903 O GLU A 56 -4.134 11.925 -5.856 1.00 10.00 O ATOM 904 CB GLU A 56 -4.447 9.790 -8.050 1.00 10.00 C ATOM 905 CG GLU A 56 -4.838 8.346 -7.813 1.00 10.00 C ATOM 906 CD GLU A 56 -6.298 8.177 -7.505 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.123 8.912 -8.071 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.620 7.295 -6.682 1.00 10.00 O ATOM 0 H GLU A 56 -2.703 8.202 -7.682 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.626 10.947 -7.707 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.282 10.442 -7.792 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.238 9.943 -9.109 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.588 7.758 -8.696 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.249 7.947 -6.987 1.00 10.00 H new ATOM 915 N HIS A 57 -3.567 10.015 -4.838 1.00 10.00 N ATOM 916 CA HIS A 57 -3.998 10.463 -3.519 1.00 10.00 C ATOM 917 C HIS A 57 -2.936 11.272 -2.753 1.00 10.00 C ATOM 918 O HIS A 57 -3.281 11.978 -1.800 1.00 10.00 O ATOM 919 CB HIS A 57 -4.445 9.261 -2.694 1.00 10.00 C ATOM 920 CG HIS A 57 -5.633 8.549 -3.272 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.835 9.168 -3.553 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.787 7.248 -3.636 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.662 8.250 -4.067 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.073 7.065 -4.143 1.00 10.00 N ATOM 0 H HIS A 57 -3.175 9.073 -4.856 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.830 11.148 -3.680 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.616 8.559 -2.610 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.686 9.592 -1.684 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.034 6.479 -3.547 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.677 8.449 -4.379 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.477 6.199 -4.499 1.00 10.00 H new ATOM 932 N PHE A 58 -1.668 11.206 -3.155 1.00 10.00 N ATOM 933 CA PHE A 58 -0.620 11.952 -2.444 1.00 10.00 C ATOM 934 C PHE A 58 0.288 12.680 -3.397 1.00 10.00 C ATOM 935 O PHE A 58 0.696 12.131 -4.423 1.00 10.00 O ATOM 936 CB PHE A 58 0.264 11.079 -1.536 1.00 10.00 C ATOM 937 CG PHE A 58 -0.034 9.619 -1.567 1.00 10.00 C ATOM 938 CD1 PHE A 58 -0.991 9.074 -0.734 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.660 8.792 -2.420 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.255 7.720 -0.759 1.00 10.00 C ATOM 941 CE2 PHE A 58 0.402 7.444 -2.449 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.556 6.903 -1.619 1.00 10.00 C ATOM 0 H PHE A 58 -1.341 10.658 -3.951 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.172 12.653 -1.818 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.306 11.226 -1.821 1.00 10.00 H new ATOM 0 HB3 PHE A 58 0.162 11.432 -0.510 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.538 9.713 -0.057 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.414 9.207 -3.072 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.007 7.302 -0.106 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.952 6.805 -3.125 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.758 5.842 -1.643 1.00 10.00 H new ATOM 952 N THR A 59 0.521 13.947 -3.069 1.00 10.00 N ATOM 953 CA THR A 59 1.390 14.796 -3.830 1.00 10.00 C ATOM 954 C THR A 59 2.611 14.040 -4.277 1.00 10.00 C ATOM 955 O THR A 59 3.166 13.244 -3.528 1.00 10.00 O ATOM 956 CB THR A 59 1.792 16.036 -3.017 1.00 10.00 C ATOM 957 OG1 THR A 59 1.936 15.702 -1.630 1.00 10.00 O ATOM 958 CG2 THR A 59 0.739 17.112 -3.175 1.00 10.00 C ATOM 0 H THR A 59 0.102 14.404 -2.259 1.00 10.00 H new ATOM 0 HA THR A 59 0.848 15.130 -4.715 1.00 10.00 H new ATOM 0 HB THR A 59 2.748 16.403 -3.389 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.194 16.502 -1.126 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.027 17.990 -2.597 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.650 17.383 -4.227 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.220 16.739 -2.815 1.00 10.00 H new ATOM 966 N PRO A 60 3.009 14.250 -5.521 1.00 10.00 N ATOM 967 CA PRO A 60 4.175 13.601 -6.102 1.00 10.00 C ATOM 968 C PRO A 60 5.391 13.720 -5.206 1.00 10.00 C ATOM 969 O PRO A 60 6.235 12.831 -5.129 1.00 10.00 O ATOM 970 CB PRO A 60 4.409 14.399 -7.400 1.00 10.00 C ATOM 971 CG PRO A 60 3.516 15.592 -7.301 1.00 10.00 C ATOM 972 CD PRO A 60 2.362 15.151 -6.477 1.00 10.00 C ATOM 0 HA PRO A 60 4.018 12.533 -6.254 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.453 14.697 -7.495 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.168 13.800 -8.278 1.00 10.00 H new ATOM 0 HG2 PRO A 60 4.032 16.432 -6.837 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.191 15.923 -8.287 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.869 15.988 -5.982 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.605 14.641 -7.072 1.00 10.00 H new ATOM 980 N ASP A 61 5.376 14.802 -4.433 1.00 10.00 N ATOM 981 CA ASP A 61 6.382 15.062 -3.420 1.00 10.00 C ATOM 982 C ASP A 61 6.314 13.932 -2.404 1.00 10.00 C ATOM 983 O ASP A 61 7.325 13.302 -2.107 1.00 10.00 O ATOM 984 CB ASP A 61 6.129 16.403 -2.708 1.00 10.00 C ATOM 985 CG ASP A 61 5.755 17.514 -3.664 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.761 17.367 -4.400 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.449 18.548 -3.678 1.00 10.00 O ATOM 0 H ASP A 61 4.659 15.525 -4.496 1.00 10.00 H new ATOM 0 HA ASP A 61 7.364 15.117 -3.890 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.331 16.276 -1.976 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.024 16.691 -2.156 1.00 10.00 H new ATOM 992 N SER A 62 5.104 13.653 -1.897 1.00 10.00 N ATOM 993 CA SER A 62 4.908 12.679 -0.826 1.00 10.00 C ATOM 994 C SER A 62 4.710 11.263 -1.323 1.00 10.00 C ATOM 995 O SER A 62 4.404 10.354 -0.563 1.00 10.00 O ATOM 996 CB SER A 62 3.657 13.063 -0.036 1.00 10.00 C ATOM 997 OG SER A 62 3.826 12.807 1.348 1.00 10.00 O ATOM 0 H SER A 62 4.243 14.095 -2.219 1.00 10.00 H new ATOM 0 HA SER A 62 5.814 12.698 -0.220 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.437 14.120 -0.189 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.801 12.502 -0.410 1.00 10.00 H new ATOM 0 HG SER A 62 2.958 12.595 1.750 1.00 10.00 H new ATOM 1003 N PHE A 63 4.882 11.123 -2.620 1.00 10.00 N ATOM 1004 CA PHE A 63 4.754 9.859 -3.330 1.00 10.00 C ATOM 1005 C PHE A 63 5.291 8.638 -2.556 1.00 10.00 C ATOM 1006 O PHE A 63 4.532 7.707 -2.276 1.00 10.00 O ATOM 1007 CB PHE A 63 5.486 9.966 -4.658 1.00 10.00 C ATOM 1008 CG PHE A 63 4.787 9.303 -5.788 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.779 8.395 -5.554 1.00 10.00 C ATOM 1010 CD2 PHE A 63 5.156 9.582 -7.089 1.00 10.00 C ATOM 1011 CE1 PHE A 63 3.152 7.774 -6.597 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.526 8.964 -8.145 1.00 10.00 C ATOM 1013 CZ PHE A 63 3.521 8.056 -7.898 1.00 10.00 C ATOM 0 H PHE A 63 5.121 11.904 -3.231 1.00 10.00 H new ATOM 0 HA PHE A 63 3.686 9.688 -3.465 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.627 11.019 -4.899 1.00 10.00 H new ATOM 0 HB3 PHE A 63 6.478 9.528 -4.551 1.00 10.00 H new ATOM 0 HD1 PHE A 63 3.482 8.172 -4.540 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.947 10.292 -7.280 1.00 10.00 H new ATOM 0 HE1 PHE A 63 2.365 7.060 -6.404 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.818 9.190 -9.160 1.00 10.00 H new ATOM 0 HZ PHE A 63 3.022 7.565 -8.720 1.00 10.00 H new ATOM 1023 N LYS A 64 6.597 8.624 -2.233 1.00 10.00 N ATOM 1024 CA LYS A 64 7.195 7.479 -1.524 1.00 10.00 C ATOM 1025 C LYS A 64 8.666 7.735 -1.180 1.00 10.00 C ATOM 1026 O LYS A 64 9.002 8.788 -0.670 1.00 10.00 O ATOM 1027 CB LYS A 64 7.056 6.175 -2.339 1.00 10.00 C ATOM 1028 CG LYS A 64 7.826 6.143 -3.666 1.00 10.00 C ATOM 1029 CD LYS A 64 7.001 6.635 -4.844 1.00 10.00 C ATOM 1030 CE LYS A 64 5.877 5.675 -5.192 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.354 4.273 -5.362 1.00 10.00 N ATOM 0 H LYS A 64 7.249 9.379 -2.447 1.00 10.00 H new ATOM 0 HA LYS A 64 6.643 7.361 -0.591 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.395 5.343 -1.722 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.999 6.008 -2.547 1.00 10.00 H new ATOM 0 HG2 LYS A 64 8.722 6.758 -3.575 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.158 5.124 -3.863 1.00 10.00 H new ATOM 0 HD2 LYS A 64 6.582 7.614 -4.610 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.649 6.765 -5.711 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.122 5.705 -4.407 1.00 10.00 H new ATOM 0 HE3 LYS A 64 5.394 6.005 -6.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.620 3.712 -5.839 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.221 4.268 -5.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.555 3.859 -4.429 1.00 10.00 H new ATOM 1045 N ARG A 65 9.545 6.769 -1.480 1.00 10.00 N ATOM 1046 CA ARG A 65 10.982 6.896 -1.199 1.00 10.00 C ATOM 1047 C ARG A 65 11.583 8.066 -1.964 1.00 10.00 C ATOM 1048 O ARG A 65 12.627 8.596 -1.596 1.00 10.00 O ATOM 1049 CB ARG A 65 11.763 5.611 -1.540 1.00 10.00 C ATOM 1050 CG ARG A 65 10.918 4.451 -2.037 1.00 10.00 C ATOM 1051 CD ARG A 65 11.372 3.133 -1.439 1.00 10.00 C ATOM 1052 NE ARG A 65 12.664 2.673 -1.958 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.111 1.416 -1.826 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.378 0.513 -1.168 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.285 1.068 -2.354 1.00 10.00 N ATOM 0 H ARG A 65 9.284 5.886 -1.920 1.00 10.00 H new ATOM 0 HA ARG A 65 11.071 7.073 -0.127 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.507 5.849 -2.300 1.00 10.00 H new ATOM 0 HB3 ARG A 65 12.306 5.289 -0.652 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.873 4.626 -1.782 1.00 10.00 H new ATOM 0 HG3 ARG A 65 10.976 4.397 -3.124 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.440 3.238 -0.356 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.617 2.373 -1.639 1.00 10.00 H new ATOM 0 HE ARG A 65 13.255 3.346 -2.446 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.479 0.780 -0.767 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.717 -0.444 -1.067 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.842 1.758 -2.858 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.626 0.112 -2.254 1.00 10.00 H new ATOM 1069 N GLU A 66 10.897 8.470 -3.019 1.00 10.00 N ATOM 1070 CA GLU A 66 11.337 9.580 -3.846 1.00 10.00 C ATOM 1071 C GLU A 66 10.932 10.913 -3.218 1.00 10.00 C ATOM 1072 O GLU A 66 11.112 11.973 -3.812 1.00 10.00 O ATOM 1073 CB GLU A 66 10.790 9.452 -5.277 1.00 10.00 C ATOM 1074 CG GLU A 66 11.625 8.520 -6.137 1.00 10.00 C ATOM 1075 CD GLU A 66 13.003 9.077 -6.423 1.00 10.00 C ATOM 1076 OE1 GLU A 66 13.107 10.022 -7.233 1.00 10.00 O ATOM 1077 OE2 GLU A 66 13.990 8.583 -5.833 1.00 10.00 O ATOM 0 H GLU A 66 10.024 8.041 -3.325 1.00 10.00 H new ATOM 0 HA GLU A 66 12.425 9.551 -3.904 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.764 9.085 -5.239 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.759 10.438 -5.740 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.722 7.557 -5.635 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.107 8.338 -7.079 1.00 10.00 H new ATOM 1084 N SER A 67 10.383 10.839 -2.014 1.00 10.00 N ATOM 1085 CA SER A 67 9.936 12.015 -1.288 1.00 10.00 C ATOM 1086 C SER A 67 11.128 12.829 -0.773 1.00 10.00 C ATOM 1087 O SER A 67 11.679 13.667 -1.487 1.00 10.00 O ATOM 1088 CB SER A 67 9.017 11.567 -0.135 1.00 10.00 C ATOM 1089 OG SER A 67 9.049 12.441 0.976 1.00 10.00 O ATOM 0 H SER A 67 10.236 9.962 -1.515 1.00 10.00 H new ATOM 0 HA SER A 67 9.375 12.667 -1.958 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.993 11.495 -0.502 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.311 10.568 0.188 1.00 10.00 H new ATOM 0 HG SER A 67 9.384 11.960 1.761 1.00 10.00 H new ATOM 1095 N ASN A 68 11.511 12.591 0.467 1.00 10.00 N ATOM 1096 CA ASN A 68 12.624 13.296 1.070 1.00 10.00 C ATOM 1097 C ASN A 68 13.860 12.422 1.056 1.00 10.00 C ATOM 1098 O ASN A 68 14.794 12.651 0.289 1.00 10.00 O ATOM 1099 CB ASN A 68 12.296 13.700 2.515 1.00 10.00 C ATOM 1100 CG ASN A 68 12.546 15.174 2.796 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.622 15.987 2.772 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.793 15.533 3.071 1.00 10.00 N ATOM 0 H ASN A 68 11.063 11.909 1.080 1.00 10.00 H new ATOM 0 HA ASN A 68 12.810 14.199 0.489 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.251 13.469 2.722 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.896 13.099 3.199 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.010 16.509 3.271 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.535 14.833 3.082 1.00 10.00 H new ATOM 1109 N ASN A 69 13.842 11.396 1.888 1.00 10.00 N ATOM 1110 CA ASN A 69 14.976 10.494 1.996 1.00 10.00 C ATOM 1111 C ASN A 69 14.652 9.106 1.440 1.00 10.00 C ATOM 1112 O ASN A 69 15.232 8.681 0.443 1.00 10.00 O ATOM 1113 CB ASN A 69 15.450 10.409 3.457 1.00 10.00 C ATOM 1114 CG ASN A 69 14.386 9.887 4.405 1.00 10.00 C ATOM 1115 OD1 ASN A 69 13.191 10.118 4.218 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.813 9.167 5.420 1.00 10.00 N ATOM 0 H ASN A 69 13.057 11.166 2.498 1.00 10.00 H new ATOM 0 HA ASN A 69 15.786 10.899 1.390 1.00 10.00 H new ATOM 0 HB2 ASN A 69 16.324 9.760 3.511 1.00 10.00 H new ATOM 0 HB3 ASN A 69 15.767 11.398 3.787 1.00 10.00 H new ATOM 0 HD21 ASN A 69 14.145 8.778 6.086 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.812 8.998 5.541 1.00 10.00 H new ATOM 1123 N LYS A 70 13.717 8.403 2.073 1.00 10.00 N ATOM 1124 CA LYS A 70 13.356 7.066 1.636 1.00 10.00 C ATOM 1125 C LYS A 70 11.868 6.776 1.861 1.00 10.00 C ATOM 1126 O LYS A 70 11.395 5.680 1.571 1.00 10.00 O ATOM 1127 CB LYS A 70 14.237 6.027 2.344 1.00 10.00 C ATOM 1128 CG LYS A 70 14.320 4.700 1.597 1.00 10.00 C ATOM 1129 CD LYS A 70 15.458 3.828 2.103 1.00 10.00 C ATOM 1130 CE LYS A 70 16.821 4.333 1.638 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.139 3.907 0.246 1.00 10.00 N ATOM 0 H LYS A 70 13.200 8.738 2.886 1.00 10.00 H new ATOM 0 HA LYS A 70 13.531 7.001 0.562 1.00 10.00 H new ATOM 0 HB2 LYS A 70 15.242 6.433 2.463 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.844 5.849 3.345 1.00 10.00 H new ATOM 0 HG2 LYS A 70 13.377 4.164 1.706 1.00 10.00 H new ATOM 0 HG3 LYS A 70 14.457 4.892 0.533 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.435 3.800 3.192 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.313 2.806 1.754 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.841 5.421 1.696 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.592 3.963 2.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.074 4.274 -0.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.146 2.868 0.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.419 4.281 -0.405 1.00 10.00 H new ATOM 1145 N LEU A 71 11.126 7.757 2.365 1.00 10.00 N ATOM 1146 CA LEU A 71 9.695 7.578 2.605 1.00 10.00 C ATOM 1147 C LEU A 71 8.953 8.898 2.367 1.00 10.00 C ATOM 1148 O LEU A 71 9.583 9.861 1.945 1.00 10.00 O ATOM 1149 CB LEU A 71 9.452 7.059 4.027 1.00 10.00 C ATOM 1150 CG LEU A 71 8.489 5.869 4.142 1.00 10.00 C ATOM 1151 CD1 LEU A 71 7.317 6.218 5.045 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.993 5.444 2.767 1.00 10.00 C ATOM 0 H LEU A 71 11.487 8.678 2.614 1.00 10.00 H new ATOM 0 HA LEU A 71 9.308 6.836 1.906 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.411 6.771 4.458 1.00 10.00 H new ATOM 0 HB3 LEU A 71 9.063 7.878 4.632 1.00 10.00 H new ATOM 0 HG LEU A 71 9.030 5.033 4.585 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.645 5.363 5.115 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.686 6.472 6.039 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.779 7.070 4.630 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.312 4.599 2.871 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.470 6.276 2.296 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.842 5.152 2.148 1.00 10.00 H new ATOM 1164 N LEU A 72 7.647 8.958 2.728 1.00 10.00 N ATOM 1165 CA LEU A 72 6.807 10.150 2.441 1.00 10.00 C ATOM 1166 C LEU A 72 7.355 11.379 3.146 1.00 10.00 C ATOM 1167 O LEU A 72 8.370 11.345 3.848 1.00 10.00 O ATOM 1168 CB LEU A 72 5.338 9.913 2.792 1.00 10.00 C ATOM 1169 CG LEU A 72 4.764 8.594 2.258 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.739 7.542 3.340 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.369 8.778 1.689 1.00 10.00 C ATOM 0 H LEU A 72 7.157 8.206 3.212 1.00 10.00 H new ATOM 0 HA LEU A 72 6.849 10.329 1.367 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.229 9.930 3.876 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.745 10.739 2.399 1.00 10.00 H new ATOM 0 HG LEU A 72 5.419 8.263 1.453 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.328 6.616 2.938 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.753 7.364 3.698 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.118 7.885 4.167 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.997 7.822 1.321 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.704 9.150 2.469 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.402 9.494 0.868 1.00 10.00 H new ATOM 1183 N LYS A 73 6.611 12.475 2.973 1.00 10.00 N ATOM 1184 CA LYS A 73 6.877 13.700 3.699 1.00 10.00 C ATOM 1185 C LYS A 73 6.074 13.569 4.972 1.00 10.00 C ATOM 1186 O LYS A 73 4.853 13.550 4.930 1.00 10.00 O ATOM 1187 CB LYS A 73 6.452 14.996 2.984 1.00 10.00 C ATOM 1188 CG LYS A 73 6.120 14.860 1.515 1.00 10.00 C ATOM 1189 CD LYS A 73 7.355 14.661 0.659 1.00 10.00 C ATOM 1190 CE LYS A 73 8.445 15.688 0.922 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.994 17.083 0.660 1.00 10.00 N ATOM 0 H LYS A 73 5.819 12.529 2.332 1.00 10.00 H new ATOM 0 HA LYS A 73 7.954 13.799 3.833 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.581 15.403 3.498 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.254 15.726 3.090 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.444 14.016 1.375 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.590 15.752 1.181 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.755 13.663 0.839 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.070 14.706 -0.392 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.774 15.605 1.958 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.308 15.465 0.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.785 17.637 0.275 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.212 17.072 -0.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.669 17.515 1.548 1.00 10.00 H new ATOM 1205 N GLU A 74 6.760 13.372 6.069 1.00 10.00 N ATOM 1206 CA GLU A 74 6.136 13.222 7.390 1.00 10.00 C ATOM 1207 C GLU A 74 5.140 14.327 7.776 1.00 10.00 C ATOM 1208 O GLU A 74 4.489 14.272 8.817 1.00 10.00 O ATOM 1209 CB GLU A 74 7.223 13.229 8.449 1.00 10.00 C ATOM 1210 CG GLU A 74 7.713 14.619 8.792 1.00 10.00 C ATOM 1211 CD GLU A 74 8.690 14.610 9.941 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.733 13.935 9.835 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.413 15.262 10.966 1.00 10.00 O ATOM 0 H GLU A 74 7.778 13.308 6.087 1.00 10.00 H new ATOM 0 HA GLU A 74 5.578 12.287 7.334 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.844 12.751 9.352 1.00 10.00 H new ATOM 0 HB3 GLU A 74 8.064 12.630 8.101 1.00 10.00 H new ATOM 0 HG2 GLU A 74 8.188 15.061 7.916 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.862 15.250 9.046 1.00 10.00 H new ATOM 1220 N ASN A 75 5.050 15.325 6.921 1.00 10.00 N ATOM 1221 CA ASN A 75 4.098 16.425 7.072 1.00 10.00 C ATOM 1222 C ASN A 75 3.006 16.349 5.994 1.00 10.00 C ATOM 1223 O ASN A 75 2.297 17.321 5.737 1.00 10.00 O ATOM 1224 CB ASN A 75 4.825 17.755 6.947 1.00 10.00 C ATOM 1225 CG ASN A 75 5.022 18.447 8.281 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.079 17.664 9.347 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 5.135 19.673 8.350 1.00 10.00 N flip ATOM 0 H ASN A 75 5.638 15.403 6.091 1.00 10.00 H new ATOM 0 HA ASN A 75 3.635 16.344 8.055 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.797 17.590 6.482 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.261 18.410 6.283 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.085 20.238 7.502 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.279 20.122 9.255 1.00 10.00 H new ATOM 1234 N ALA A 76 2.869 15.184 5.385 1.00 10.00 N ATOM 1235 CA ALA A 76 1.901 14.964 4.296 1.00 10.00 C ATOM 1236 C ALA A 76 1.305 13.572 4.381 1.00 10.00 C ATOM 1237 O ALA A 76 1.933 12.578 4.741 1.00 10.00 O ATOM 1238 CB ALA A 76 2.596 15.125 2.944 1.00 10.00 C ATOM 0 H ALA A 76 3.419 14.358 5.622 1.00 10.00 H new ATOM 0 HA ALA A 76 1.103 15.700 4.395 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.875 14.961 2.143 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.006 16.132 2.863 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.403 14.397 2.861 1.00 10.00 H new ATOM 1244 N VAL A 77 0.031 13.589 3.986 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.879 12.458 3.967 1.00 10.00 C ATOM 1246 C VAL A 77 -1.893 12.692 2.839 1.00 10.00 C ATOM 1247 O VAL A 77 -2.165 13.848 2.505 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.619 12.374 5.342 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.697 13.749 5.989 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.022 11.798 5.215 1.00 10.00 C ATOM 0 H VAL A 77 -0.412 14.445 3.653 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.340 11.525 3.800 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.036 11.699 5.969 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.215 13.672 6.945 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.690 14.132 6.152 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.242 14.429 5.334 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.491 11.762 6.198 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.616 12.428 4.553 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.966 10.791 4.803 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.404 11.615 2.199 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.410 11.707 1.135 1.00 10.00 C ATOM 1262 C PRO A 78 -4.469 12.711 1.560 1.00 10.00 C ATOM 1263 O PRO A 78 -5.132 12.573 2.586 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.959 10.272 1.017 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.243 9.462 2.046 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.032 10.246 2.469 1.00 10.00 C ATOM 0 HA PRO A 78 -3.030 12.052 0.174 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.035 10.253 1.187 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.787 9.871 0.018 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.891 9.266 2.900 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.951 8.494 1.638 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.803 10.093 3.524 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.147 9.952 1.905 1.00 10.00 H new ATOM 1274 N THR A 79 -4.588 13.730 0.731 1.00 10.00 N ATOM 1275 CA THR A 79 -5.557 14.790 0.898 1.00 10.00 C ATOM 1276 C THR A 79 -6.431 14.880 -0.354 1.00 10.00 C ATOM 1277 O THR A 79 -7.456 15.559 -0.375 1.00 10.00 O ATOM 1278 CB THR A 79 -4.856 16.140 1.153 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.750 17.055 1.803 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.343 16.751 -0.144 1.00 10.00 C ATOM 0 H THR A 79 -4.000 13.844 -0.094 1.00 10.00 H new ATOM 0 HA THR A 79 -6.180 14.564 1.763 1.00 10.00 H new ATOM 0 HB THR A 79 -4.002 15.951 1.803 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.290 17.906 1.959 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.854 17.702 0.070 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.628 16.072 -0.608 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.179 16.918 -0.823 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.005 14.160 -1.394 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.655 14.178 -2.705 1.00 10.00 C ATOM 1290 C ILE A 80 -7.726 13.090 -2.844 1.00 10.00 C ATOM 1291 O ILE A 80 -8.233 12.871 -3.939 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.608 13.944 -3.820 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.286 14.667 -3.505 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.154 14.368 -5.175 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.080 15.954 -4.276 1.00 10.00 C ATOM 0 H ILE A 80 -5.193 13.544 -1.349 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.128 15.156 -2.800 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.398 12.875 -3.861 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.251 14.887 -2.438 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.457 13.993 -3.719 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.399 14.194 -5.942 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.047 13.787 -5.406 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.408 15.428 -5.150 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.125 16.398 -3.994 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.080 15.742 -5.345 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -4.886 16.650 -4.044 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.037 12.381 -1.760 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.017 11.287 -1.823 1.00 10.00 C ATOM 1309 C PHE A 81 -10.227 11.609 -2.698 1.00 10.00 C ATOM 1310 O PHE A 81 -10.528 10.851 -3.618 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.480 10.860 -0.436 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.525 9.915 0.258 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.650 9.117 -0.470 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.519 9.806 1.635 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.800 8.233 0.160 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.664 8.926 2.270 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.804 8.137 1.532 1.00 10.00 C ATOM 0 H PHE A 81 -7.633 12.538 -0.837 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.488 10.457 -2.291 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.613 11.748 0.183 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.455 10.381 -0.520 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.636 9.191 -1.547 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.190 10.416 2.222 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.132 7.617 -0.423 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.668 8.855 3.348 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.138 7.448 2.030 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.891 12.729 -2.428 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.065 13.145 -3.194 1.00 10.00 C ATOM 1329 C LEU A 82 -12.526 14.517 -2.739 1.00 10.00 C ATOM 1330 O LEU A 82 -12.114 14.991 -1.678 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.220 12.143 -3.047 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.354 11.099 -4.168 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -14.626 10.287 -3.985 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.338 11.760 -5.544 1.00 10.00 C ATOM 0 H LEU A 82 -10.634 13.371 -1.678 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.776 13.182 -4.244 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.100 11.617 -2.100 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.154 12.702 -2.985 1.00 10.00 H new ATOM 0 HG LEU A 82 -12.497 10.429 -4.108 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -14.707 9.552 -4.786 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -14.595 9.774 -3.024 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.489 10.952 -4.014 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.434 10.996 -6.316 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -14.170 12.460 -5.621 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.399 12.296 -5.679 1.00 10.00 H new