USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=30 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 69 ASN : amide:sc= 0.0717 X(o=0.15,f=-0.12) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -136:sc= 0.0779 (180deg=0) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.028 USER MOD Set 2.2: A 23 HIS :FLIP no HE2:sc= -11.3! C(o=-14!,f=-13!) USER MOD Set 2.3: A 55 SER OG : rot 92:sc= -2.24! USER MOD Set 3.1: A 5 CYS SG : rot 100:sc= 1.99! USER MOD Set 3.2: A 10 CYS SG : rot 163:sc= -0.41! USER MOD Set 3.3: A 12 ASN : amide:sc= -2.52! C(o=-8.6!,f=-11!) USER MOD Set 3.4: A 54 CYS SG : rot -83:sc= -4.78! USER MOD Set 3.5: A 57 HIS : no HD1:sc= -2.86 K(o=-8.6,f=-22!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 81:sc= 0.247 USER MOD Single : A 6 SER OG : rot -24:sc= 0.428 USER MOD Single : A 8 TYR OH : rot 180:sc= 0.00471 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 1.31 (180deg=0.0658) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 83:sc= 0.119 USER MOD Single : A 33 CYS SG : rot 2:sc= -2.27! USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -0.25 (180deg=-1.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.325 K(o=0.33,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= -0.156 (180deg=-0.783) USER MOD Single : A 48 THR OG1 : rot -150:sc=-0.000843 USER MOD Single : A 49 LYS NZ :NH3+ -98:sc= 1.22 (180deg=-0.696) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -13:sc= -4.68! USER MOD Single : A 52 SER OG : rot 64:sc= 0.0169 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00737 USER MOD Single : A 62 SER OG : rot -140:sc= -4.17! USER MOD Single : A 64 LYS NZ :NH3+ -144:sc= 0.657 (180deg=-0.0783) USER MOD Single : A 67 SER OG : rot -123:sc= -5.23! USER MOD Single : A 68 ASN :FLIP amide:sc=-0.00357 F(o=-0.59,f=-0.0036) USER MOD Single : A 73 LYS NZ :NH3+ -123:sc= -1.12 (180deg=-4.48!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0168 F(o=-0.8,f=-0.017) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -8.176 -4.210 -5.524 1.00 10.00 N ATOM 37 CA GLN A 3 -9.552 -3.904 -5.880 1.00 10.00 C ATOM 38 C GLN A 3 -9.706 -2.392 -5.996 1.00 10.00 C ATOM 39 O GLN A 3 -10.218 -1.881 -6.994 1.00 10.00 O ATOM 40 CB GLN A 3 -10.521 -4.474 -4.825 1.00 10.00 C ATOM 41 CG GLN A 3 -10.919 -5.937 -5.048 1.00 10.00 C ATOM 42 CD GLN A 3 -11.078 -6.723 -3.744 1.00 10.00 C ATOM 43 OE1 GLN A 3 -10.187 -7.478 -3.334 1.00 10.00 O ATOM 44 NE2 GLN A 3 -12.215 -6.554 -3.078 1.00 10.00 N ATOM 0 HA GLN A 3 -9.795 -4.366 -6.837 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -10.061 -4.382 -3.841 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.424 -3.863 -4.813 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -11.857 -5.971 -5.602 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -10.165 -6.422 -5.668 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.930 -5.925 -3.442 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -12.372 -7.054 -2.203 1.00 10.00 H new ATOM 53 N SER A 4 -9.236 -1.692 -4.962 1.00 10.00 N ATOM 54 CA SER A 4 -9.281 -0.238 -4.927 1.00 10.00 C ATOM 55 C SER A 4 -8.621 0.298 -3.657 1.00 10.00 C ATOM 56 O SER A 4 -8.324 -0.456 -2.722 1.00 10.00 O ATOM 57 CB SER A 4 -10.751 0.214 -4.979 1.00 10.00 C ATOM 58 OG SER A 4 -11.018 1.309 -4.110 1.00 10.00 O ATOM 0 H SER A 4 -8.818 -2.117 -4.134 1.00 10.00 H new ATOM 0 HA SER A 4 -8.735 0.155 -5.784 1.00 10.00 H new ATOM 0 HB2 SER A 4 -11.005 0.496 -6.001 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.395 -0.624 -4.710 1.00 10.00 H new ATOM 0 HG SER A 4 -10.734 2.143 -4.538 1.00 10.00 H new ATOM 64 N CYS A 5 -8.400 1.615 -3.639 1.00 10.00 N ATOM 65 CA CYS A 5 -7.722 2.271 -2.524 1.00 10.00 C ATOM 66 C CYS A 5 -8.732 2.430 -1.387 1.00 10.00 C ATOM 67 O CYS A 5 -9.920 2.117 -1.494 1.00 10.00 O ATOM 68 CB CYS A 5 -7.159 3.632 -2.978 1.00 10.00 C ATOM 69 SG CYS A 5 -6.454 3.618 -4.641 1.00 10.00 S ATOM 0 H CYS A 5 -8.683 2.247 -4.388 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.879 1.674 -2.175 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.956 4.375 -2.939 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.392 3.950 -2.272 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.318 4.103 -5.483 1.00 10.00 H new ATOM 74 N SER A 6 -8.161 2.938 -0.284 1.00 10.00 N ATOM 75 CA SER A 6 -8.848 3.182 0.982 1.00 10.00 C ATOM 76 C SER A 6 -9.616 4.492 0.954 1.00 10.00 C ATOM 77 O SER A 6 -10.261 4.850 1.929 1.00 10.00 O ATOM 78 CB SER A 6 -7.827 3.216 2.130 1.00 10.00 C ATOM 79 OG SER A 6 -8.456 3.363 3.393 1.00 10.00 O ATOM 0 H SER A 6 -7.175 3.197 -0.254 1.00 10.00 H new ATOM 0 HA SER A 6 -9.559 2.371 1.138 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.240 2.297 2.121 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.131 4.040 1.973 1.00 10.00 H new ATOM 0 HG SER A 6 -9.332 3.787 3.275 1.00 10.00 H new ATOM 85 N ALA A 7 -9.477 5.215 -0.146 1.00 10.00 N ATOM 86 CA ALA A 7 -10.153 6.500 -0.355 1.00 10.00 C ATOM 87 C ALA A 7 -11.682 6.399 -0.221 1.00 10.00 C ATOM 88 O ALA A 7 -12.214 5.580 0.523 1.00 10.00 O ATOM 89 CB ALA A 7 -9.792 7.027 -1.733 1.00 10.00 C ATOM 0 H ALA A 7 -8.889 4.930 -0.929 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.813 7.183 0.424 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.290 7.983 -1.899 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.713 7.164 -1.799 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.114 6.314 -2.491 1.00 10.00 H new ATOM 95 N TYR A 8 -12.394 7.225 -0.972 1.00 10.00 N ATOM 96 CA TYR A 8 -13.843 7.230 -0.922 1.00 10.00 C ATOM 97 C TYR A 8 -14.384 6.774 -2.268 1.00 10.00 C ATOM 98 O TYR A 8 -14.945 7.561 -3.034 1.00 10.00 O ATOM 99 CB TYR A 8 -14.353 8.633 -0.570 1.00 10.00 C ATOM 100 CG TYR A 8 -15.854 8.763 -0.378 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.716 7.672 -0.477 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.403 10.003 -0.079 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.073 7.819 -0.283 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.764 10.157 0.111 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.594 9.058 0.007 1.00 10.00 C ATOM 106 OH TYR A 8 -19.948 9.182 0.212 1.00 10.00 O ATOM 0 H TYR A 8 -11.990 7.899 -1.622 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.191 6.545 -0.149 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.859 8.959 0.345 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.046 9.319 -1.360 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.315 6.697 -0.709 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.755 10.863 0.007 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.726 6.962 -0.359 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.175 11.129 0.339 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.165 10.117 0.408 1.00 10.00 H new ATOM 116 N GLY A 9 -14.180 5.507 -2.574 1.00 10.00 N ATOM 117 CA GLY A 9 -14.688 4.980 -3.808 1.00 10.00 C ATOM 118 C GLY A 9 -13.750 5.109 -4.995 1.00 10.00 C ATOM 119 O GLY A 9 -14.198 5.351 -6.119 1.00 10.00 O ATOM 0 H GLY A 9 -13.674 4.840 -1.991 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.926 3.926 -3.665 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.622 5.488 -4.046 1.00 10.00 H new ATOM 123 N CYS A 10 -12.451 4.954 -4.750 1.00 10.00 N ATOM 124 CA CYS A 10 -11.450 5.080 -5.792 1.00 10.00 C ATOM 125 C CYS A 10 -11.163 3.757 -6.480 1.00 10.00 C ATOM 126 O CYS A 10 -10.167 3.085 -6.199 1.00 10.00 O ATOM 127 CB CYS A 10 -10.169 5.687 -5.240 1.00 10.00 C ATOM 128 SG CYS A 10 -8.758 5.458 -6.328 1.00 10.00 S ATOM 0 H CYS A 10 -12.070 4.739 -3.828 1.00 10.00 H new ATOM 0 HA CYS A 10 -11.860 5.752 -6.547 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.322 6.753 -5.072 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.950 5.239 -4.271 1.00 10.00 H new ATOM 0 HG CYS A 10 -7.815 6.288 -5.996 1.00 10.00 H new ATOM 133 N LYS A 11 -12.072 3.345 -7.326 1.00 10.00 N ATOM 134 CA LYS A 11 -11.890 2.134 -8.081 1.00 10.00 C ATOM 135 C LYS A 11 -10.844 2.372 -9.160 1.00 10.00 C ATOM 136 O LYS A 11 -11.143 2.231 -10.339 1.00 10.00 O ATOM 137 CB LYS A 11 -13.204 1.726 -8.716 1.00 10.00 C ATOM 138 CG LYS A 11 -14.307 1.447 -7.702 1.00 10.00 C ATOM 139 CD LYS A 11 -14.947 0.102 -7.946 1.00 10.00 C ATOM 140 CE LYS A 11 -16.137 -0.121 -7.030 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.547 -1.546 -7.001 1.00 10.00 N ATOM 0 H LYS A 11 -12.949 3.833 -7.509 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.554 1.335 -7.420 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.533 2.516 -9.391 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.044 0.834 -9.322 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.894 1.478 -6.694 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.064 2.229 -7.761 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.268 0.034 -8.985 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.211 -0.687 -7.787 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.886 0.206 -6.021 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.974 0.492 -7.365 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -17.362 -1.660 -6.365 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.810 -1.851 -7.960 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.756 -2.128 -6.658 1.00 10.00 H new ATOM 155 N ASN A 12 -9.615 2.719 -8.787 1.00 10.00 N ATOM 156 CA ASN A 12 -8.573 2.975 -9.779 1.00 10.00 C ATOM 157 C ASN A 12 -7.803 1.706 -10.106 1.00 10.00 C ATOM 158 O ASN A 12 -6.607 1.777 -10.389 1.00 10.00 O ATOM 159 CB ASN A 12 -7.607 4.044 -9.289 1.00 10.00 C ATOM 160 CG ASN A 12 -8.048 5.468 -9.614 1.00 10.00 C ATOM 161 OD1 ASN A 12 -7.226 6.318 -9.943 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.332 5.746 -9.497 1.00 10.00 N ATOM 0 H ASN A 12 -9.318 2.829 -7.817 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.066 3.329 -10.684 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.490 3.947 -8.210 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.628 3.867 -9.733 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.668 6.691 -9.682 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -9.989 5.016 -9.222 1.00 10.00 H new ATOM 169 N ARG A 13 -8.501 0.569 -10.006 1.00 10.00 N ATOM 170 CA ARG A 13 -7.945 -0.782 -10.268 1.00 10.00 C ATOM 171 C ARG A 13 -6.781 -0.718 -11.260 1.00 10.00 C ATOM 172 O ARG A 13 -6.897 -0.044 -12.283 1.00 10.00 O ATOM 173 CB ARG A 13 -9.052 -1.706 -10.800 1.00 10.00 C ATOM 174 CG ARG A 13 -9.188 -3.028 -10.053 1.00 10.00 C ATOM 175 CD ARG A 13 -7.914 -3.856 -10.141 1.00 10.00 C ATOM 176 NE ARG A 13 -8.201 -5.293 -10.218 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.478 -6.185 -10.904 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.412 -5.803 -11.607 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.833 -7.467 -10.892 1.00 10.00 N ATOM 0 H ARG A 13 -9.485 0.551 -9.737 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.562 -1.184 -9.330 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -10.004 -1.177 -10.751 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.858 -1.916 -11.852 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.424 -2.833 -9.007 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -10.021 -3.596 -10.467 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.343 -3.552 -11.018 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -7.290 -3.656 -9.270 1.00 10.00 H new ATOM 0 HE ARG A 13 -9.015 -5.638 -9.709 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.139 -4.820 -11.626 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -5.869 -6.493 -12.126 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -8.652 -7.764 -10.362 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -7.286 -8.153 -11.413 1.00 10.00 H new ATOM 193 N TYR A 14 -5.686 -1.447 -10.977 1.00 10.00 N ATOM 194 CA TYR A 14 -4.476 -1.392 -11.820 1.00 10.00 C ATOM 195 C TYR A 14 -4.821 -1.418 -13.296 1.00 10.00 C ATOM 196 O TYR A 14 -5.302 -2.413 -13.842 1.00 10.00 O ATOM 197 CB TYR A 14 -3.484 -2.519 -11.488 1.00 10.00 C ATOM 198 CG TYR A 14 -2.061 -2.042 -11.178 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.356 -1.185 -12.040 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.418 -2.458 -10.013 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.060 -0.768 -11.731 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.137 -2.047 -9.711 1.00 10.00 C ATOM 203 CZ TYR A 14 0.536 -1.208 -10.564 1.00 10.00 C ATOM 204 OH TYR A 14 1.805 -0.794 -10.239 1.00 10.00 O ATOM 0 H TYR A 14 -5.613 -2.077 -10.178 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.991 -0.442 -11.595 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.861 -3.077 -10.631 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.446 -3.212 -12.328 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.822 -0.845 -12.953 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.935 -3.117 -9.332 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.473 -0.107 -12.398 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.338 -2.386 -8.802 1.00 10.00 H new ATOM 0 HH TYR A 14 2.072 -1.196 -9.386 1.00 10.00 H new ATOM 214 N ASP A 15 -4.577 -0.285 -13.914 1.00 10.00 N ATOM 215 CA ASP A 15 -4.773 -0.098 -15.323 1.00 10.00 C ATOM 216 C ASP A 15 -3.543 0.610 -15.793 1.00 10.00 C ATOM 217 O ASP A 15 -3.308 1.758 -15.451 1.00 10.00 O ATOM 218 CB ASP A 15 -6.030 0.709 -15.614 1.00 10.00 C ATOM 219 CG ASP A 15 -6.441 0.584 -17.054 1.00 10.00 C ATOM 220 OD1 ASP A 15 -6.554 -0.564 -17.526 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.653 1.620 -17.714 1.00 10.00 O ATOM 0 H ASP A 15 -4.230 0.546 -13.436 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.918 -1.046 -15.840 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.841 0.366 -14.972 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.855 1.758 -15.374 1.00 10.00 H new ATOM 226 N LYS A 16 -2.761 -0.091 -16.581 1.00 10.00 N ATOM 227 CA LYS A 16 -1.517 0.447 -17.109 1.00 10.00 C ATOM 228 C LYS A 16 -1.788 1.645 -18.011 1.00 10.00 C ATOM 229 O LYS A 16 -0.890 2.431 -18.340 1.00 10.00 O ATOM 230 CB LYS A 16 -0.825 -0.639 -17.914 1.00 10.00 C ATOM 231 CG LYS A 16 -0.975 -0.452 -19.420 1.00 10.00 C ATOM 232 CD LYS A 16 -0.956 -1.770 -20.144 1.00 10.00 C ATOM 233 CE LYS A 16 -1.867 -1.742 -21.354 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.295 -1.842 -20.964 1.00 10.00 N ATOM 0 H LYS A 16 -2.963 -1.046 -16.876 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.887 0.773 -16.281 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.235 -0.653 -17.659 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.234 -1.609 -17.631 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.910 0.067 -19.632 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.168 0.180 -19.791 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.062 -2.002 -20.457 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.270 -2.565 -19.467 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.705 -0.819 -21.911 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.613 -2.566 -22.021 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.745 -2.618 -21.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.364 -2.030 -19.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.779 -0.948 -21.185 1.00 10.00 H new ATOM 248 N ASP A 17 -3.046 1.745 -18.426 1.00 10.00 N ATOM 249 CA ASP A 17 -3.471 2.829 -19.284 1.00 10.00 C ATOM 250 C ASP A 17 -3.522 4.117 -18.487 1.00 10.00 C ATOM 251 O ASP A 17 -3.369 5.210 -19.024 1.00 10.00 O ATOM 252 CB ASP A 17 -4.827 2.530 -19.913 1.00 10.00 C ATOM 253 CG ASP A 17 -4.682 1.639 -21.120 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.512 2.176 -22.237 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.709 0.401 -20.959 1.00 10.00 O ATOM 0 H ASP A 17 -3.784 1.086 -18.179 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.750 2.939 -20.094 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.474 2.050 -19.179 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.311 3.463 -20.202 1.00 10.00 H new ATOM 260 N LYS A 18 -3.717 3.963 -17.190 1.00 10.00 N ATOM 261 CA LYS A 18 -3.770 5.089 -16.265 1.00 10.00 C ATOM 262 C LYS A 18 -2.403 5.230 -15.605 1.00 10.00 C ATOM 263 O LYS A 18 -1.726 4.227 -15.371 1.00 10.00 O ATOM 264 CB LYS A 18 -4.884 4.893 -15.220 1.00 10.00 C ATOM 265 CG LYS A 18 -4.451 4.174 -13.946 1.00 10.00 C ATOM 266 CD LYS A 18 -5.515 4.258 -12.867 1.00 10.00 C ATOM 267 CE LYS A 18 -5.909 5.700 -12.576 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.280 6.005 -13.059 1.00 10.00 N ATOM 0 H LYS A 18 -3.844 3.054 -16.744 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.008 6.005 -16.806 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.285 5.870 -14.950 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.697 4.331 -15.679 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.242 3.128 -14.171 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.523 4.612 -13.578 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.395 3.696 -13.179 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.146 3.790 -11.954 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -5.853 5.883 -11.503 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.197 6.374 -13.052 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.512 6.995 -12.843 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.327 5.855 -14.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.962 5.379 -12.586 1.00 10.00 H new ATOM 282 N PRO A 19 -1.962 6.458 -15.305 1.00 10.00 N ATOM 283 CA PRO A 19 -0.643 6.682 -14.726 1.00 10.00 C ATOM 284 C PRO A 19 -0.558 6.648 -13.190 1.00 10.00 C ATOM 285 O PRO A 19 -0.464 7.696 -12.546 1.00 10.00 O ATOM 286 CB PRO A 19 -0.307 8.082 -15.246 1.00 10.00 C ATOM 287 CG PRO A 19 -1.619 8.779 -15.434 1.00 10.00 C ATOM 288 CD PRO A 19 -2.685 7.717 -15.551 1.00 10.00 C ATOM 0 HA PRO A 19 0.040 5.881 -15.009 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.323 8.620 -14.538 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.244 8.028 -16.185 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.826 9.439 -14.592 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.598 9.401 -16.329 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.481 7.869 -14.822 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.149 7.725 -16.537 1.00 10.00 H new ATOM 296 N VAL A 20 -0.602 5.457 -12.592 1.00 10.00 N ATOM 297 CA VAL A 20 -0.466 5.348 -11.131 1.00 10.00 C ATOM 298 C VAL A 20 0.227 4.033 -10.728 1.00 10.00 C ATOM 299 O VAL A 20 0.112 3.011 -11.402 1.00 10.00 O ATOM 300 CB VAL A 20 -1.825 5.438 -10.345 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.784 6.457 -10.923 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.501 4.090 -10.243 1.00 10.00 C ATOM 0 H VAL A 20 -0.728 4.570 -13.079 1.00 10.00 H new ATOM 0 HA VAL A 20 0.139 6.211 -10.854 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.559 5.777 -9.344 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.701 6.468 -10.334 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.324 7.445 -10.898 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.018 6.192 -11.954 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.437 4.193 -9.693 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.708 3.710 -11.243 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -1.847 3.394 -9.718 1.00 10.00 H new ATOM 312 N SER A 21 0.967 4.102 -9.622 1.00 10.00 N ATOM 313 CA SER A 21 1.683 2.954 -9.053 1.00 10.00 C ATOM 314 C SER A 21 0.938 2.477 -7.801 1.00 10.00 C ATOM 315 O SER A 21 0.051 3.189 -7.309 1.00 10.00 O ATOM 316 CB SER A 21 3.109 3.381 -8.705 1.00 10.00 C ATOM 317 OG SER A 21 3.098 4.663 -8.087 1.00 10.00 O ATOM 0 H SER A 21 1.089 4.963 -9.089 1.00 10.00 H new ATOM 0 HA SER A 21 1.728 2.134 -9.770 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.563 2.650 -8.036 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.719 3.409 -9.608 1.00 10.00 H new ATOM 0 HG SER A 21 4.015 4.928 -7.866 1.00 10.00 H new ATOM 323 N PHE A 22 1.280 1.310 -7.257 1.00 10.00 N ATOM 324 CA PHE A 22 0.537 0.839 -6.096 1.00 10.00 C ATOM 325 C PHE A 22 1.287 0.701 -4.758 1.00 10.00 C ATOM 326 O PHE A 22 1.971 -0.290 -4.533 1.00 10.00 O ATOM 327 CB PHE A 22 -0.220 -0.453 -6.396 1.00 10.00 C ATOM 328 CG PHE A 22 -1.705 -0.248 -6.382 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.361 0.028 -5.192 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.444 -0.299 -7.558 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.724 0.246 -5.176 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.809 -0.077 -7.547 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.449 0.197 -6.355 1.00 10.00 C ATOM 0 H PHE A 22 2.030 0.700 -7.583 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.145 1.672 -5.926 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.085 -0.834 -7.371 1.00 10.00 H new ATOM 0 HB3 PHE A 22 0.049 -1.210 -5.660 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.801 0.073 -4.270 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.946 -0.515 -8.492 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.226 0.455 -4.243 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.372 -0.118 -8.468 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.514 0.373 -6.342 1.00 10.00 H new ATOM 343 N HIS A 23 1.127 1.616 -3.853 1.00 10.00 N ATOM 344 CA HIS A 23 1.973 1.657 -2.651 1.00 10.00 C ATOM 345 C HIS A 23 1.335 1.071 -1.432 1.00 10.00 C ATOM 346 O HIS A 23 0.233 0.588 -1.511 1.00 10.00 O ATOM 347 CB HIS A 23 2.327 3.107 -2.322 1.00 10.00 C ATOM 348 CG HIS A 23 2.054 4.043 -3.415 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.823 4.607 -4.370 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.793 4.451 -3.640 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.984 5.349 -5.160 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.758 5.218 -4.671 1.00 10.00 N flip ATOM 0 H HIS A 23 0.425 2.354 -3.903 1.00 10.00 H new ATOM 0 HA HIS A 23 2.849 1.055 -2.893 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.766 3.418 -1.441 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.384 3.164 -2.063 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.831 4.502 -4.482 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.064 4.175 -3.043 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.269 5.933 -6.023 1.00 10.00 H new ATOM 361 N LYS A 24 1.989 1.178 -0.292 1.00 10.00 N ATOM 362 CA LYS A 24 1.406 0.557 0.872 1.00 10.00 C ATOM 363 C LYS A 24 1.367 1.650 1.936 1.00 10.00 C ATOM 364 O LYS A 24 2.020 2.680 1.756 1.00 10.00 O ATOM 365 CB LYS A 24 2.209 -0.644 1.355 1.00 10.00 C ATOM 366 CG LYS A 24 1.412 -1.929 1.312 1.00 10.00 C ATOM 367 CD LYS A 24 2.298 -3.145 1.510 1.00 10.00 C ATOM 368 CE LYS A 24 2.943 -3.172 2.880 1.00 10.00 C ATOM 369 NZ LYS A 24 4.156 -4.036 2.870 1.00 10.00 N ATOM 0 H LYS A 24 2.876 1.662 -0.151 1.00 10.00 H new ATOM 0 HA LYS A 24 0.415 0.165 0.645 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.101 -0.753 0.738 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.547 -0.464 2.375 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.645 -1.908 2.086 1.00 10.00 H new ATOM 0 HG3 LYS A 24 0.897 -2.006 0.355 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.705 -4.049 1.373 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.075 -3.154 0.745 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.213 -2.160 3.181 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.231 -3.544 3.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.585 -4.043 3.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.890 -5.005 2.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.842 -3.664 2.182 1.00 10.00 H new ATOM 383 N PHE A 25 0.626 1.472 3.021 1.00 10.00 N ATOM 384 CA PHE A 25 0.566 2.509 4.053 1.00 10.00 C ATOM 385 C PHE A 25 1.950 2.788 4.631 1.00 10.00 C ATOM 386 O PHE A 25 2.808 1.904 4.663 1.00 10.00 O ATOM 387 CB PHE A 25 -0.359 2.087 5.186 1.00 10.00 C ATOM 388 CG PHE A 25 -1.715 2.749 5.171 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.630 2.463 4.178 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.074 3.648 6.164 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.880 3.067 4.167 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.322 4.250 6.160 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.221 3.958 5.157 1.00 10.00 C ATOM 0 H PHE A 25 0.068 0.640 3.212 1.00 10.00 H new ATOM 0 HA PHE A 25 0.182 3.414 3.581 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.496 1.007 5.142 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.128 2.308 6.136 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.370 1.761 3.400 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.372 3.882 6.951 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.584 2.837 3.381 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.590 4.946 6.941 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.193 4.429 5.149 1.00 10.00 H new ATOM 403 N PRO A 26 2.178 4.018 5.123 1.00 10.00 N ATOM 404 CA PRO A 26 3.454 4.410 5.732 1.00 10.00 C ATOM 405 C PRO A 26 3.518 3.819 7.127 1.00 10.00 C ATOM 406 O PRO A 26 3.516 4.513 8.141 1.00 10.00 O ATOM 407 CB PRO A 26 3.300 5.927 5.843 1.00 10.00 C ATOM 408 CG PRO A 26 1.846 6.101 6.097 1.00 10.00 C ATOM 409 CD PRO A 26 1.192 5.121 5.175 1.00 10.00 C ATOM 0 HA PRO A 26 4.339 4.090 5.182 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.903 6.335 6.655 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.613 6.432 4.929 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.596 5.896 7.138 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.524 7.121 5.887 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.228 4.785 5.558 1.00 10.00 H new ATOM 0 HD3 PRO A 26 1.012 5.550 4.189 1.00 10.00 H new ATOM 417 N LEU A 27 3.594 2.488 7.123 1.00 10.00 N ATOM 418 CA LEU A 27 3.611 1.661 8.306 1.00 10.00 C ATOM 419 C LEU A 27 4.605 2.082 9.358 1.00 10.00 C ATOM 420 O LEU A 27 4.412 2.007 10.563 1.00 10.00 O ATOM 421 CB LEU A 27 3.820 0.203 7.926 1.00 10.00 C ATOM 422 CG LEU A 27 2.536 -0.581 7.650 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.838 -2.069 7.628 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.476 -0.263 8.695 1.00 10.00 C ATOM 0 H LEU A 27 3.647 1.947 6.260 1.00 10.00 H new ATOM 0 HA LEU A 27 2.633 1.793 8.769 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.452 0.161 7.039 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.365 -0.292 8.730 1.00 10.00 H new ATOM 0 HG LEU A 27 2.145 -0.286 6.676 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.921 -2.624 7.431 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.565 -2.281 6.844 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.245 -2.372 8.593 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.571 -0.831 8.480 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.847 -0.533 9.684 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.249 0.803 8.671 1.00 10.00 H new ATOM 436 N THR A 28 5.705 2.527 8.773 1.00 10.00 N ATOM 437 CA THR A 28 6.906 2.947 9.462 1.00 10.00 C ATOM 438 C THR A 28 6.896 4.425 9.859 1.00 10.00 C ATOM 439 O THR A 28 7.811 4.918 10.522 1.00 10.00 O ATOM 440 CB THR A 28 8.101 2.681 8.523 1.00 10.00 C ATOM 441 OG1 THR A 28 8.114 3.650 7.465 1.00 10.00 O ATOM 442 CG2 THR A 28 7.983 1.303 7.892 1.00 10.00 C ATOM 0 H THR A 28 5.785 2.607 7.759 1.00 10.00 H new ATOM 0 HA THR A 28 6.976 2.381 10.391 1.00 10.00 H new ATOM 0 HB THR A 28 9.015 2.745 9.113 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.876 3.478 6.873 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.834 1.131 7.232 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.971 0.544 8.675 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.060 1.244 7.316 1.00 10.00 H new ATOM 450 N ARG A 29 5.817 5.108 9.482 1.00 10.00 N ATOM 451 CA ARG A 29 5.580 6.481 9.854 1.00 10.00 C ATOM 452 C ARG A 29 4.176 6.506 10.447 1.00 10.00 C ATOM 453 O ARG A 29 3.291 7.181 9.935 1.00 10.00 O ATOM 454 CB ARG A 29 5.694 7.372 8.604 1.00 10.00 C ATOM 455 CG ARG A 29 6.693 8.510 8.725 1.00 10.00 C ATOM 456 CD ARG A 29 6.185 9.609 9.624 1.00 10.00 C ATOM 457 NE ARG A 29 6.952 9.706 10.870 1.00 10.00 N ATOM 458 CZ ARG A 29 8.235 10.095 10.983 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.990 10.359 9.920 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.777 10.182 12.183 1.00 10.00 N ATOM 0 H ARG A 29 5.079 4.708 8.902 1.00 10.00 H new ATOM 0 HA ARG A 29 6.304 6.859 10.576 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.975 6.749 7.755 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.712 7.790 8.382 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.635 8.126 9.117 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.902 8.917 7.736 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.234 10.561 9.095 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.136 9.428 9.858 1.00 10.00 H new ATOM 0 HE ARG A 29 6.467 9.455 11.732 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.600 10.269 8.982 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.959 10.652 10.043 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.224 9.956 13.010 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.749 10.476 12.284 1.00 10.00 H new ATOM 474 N PRO A 30 3.977 5.754 11.557 1.00 10.00 N ATOM 475 CA PRO A 30 2.673 5.553 12.193 1.00 10.00 C ATOM 476 C PRO A 30 1.845 6.799 12.449 1.00 10.00 C ATOM 477 O PRO A 30 0.708 6.866 12.007 1.00 10.00 O ATOM 478 CB PRO A 30 2.985 4.881 13.523 1.00 10.00 C ATOM 479 CG PRO A 30 4.463 4.963 13.694 1.00 10.00 C ATOM 480 CD PRO A 30 5.034 5.058 12.316 1.00 10.00 C ATOM 0 HA PRO A 30 2.055 4.972 11.509 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.470 5.382 14.343 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.650 3.844 13.523 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.739 5.832 14.291 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.845 4.085 14.215 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.970 5.616 12.306 1.00 10.00 H new ATOM 0 HD3 PRO A 30 5.246 4.073 11.900 1.00 10.00 H new ATOM 488 N SER A 31 2.382 7.771 13.171 1.00 10.00 N ATOM 489 CA SER A 31 1.636 8.982 13.463 1.00 10.00 C ATOM 490 C SER A 31 1.149 9.608 12.165 1.00 10.00 C ATOM 491 O SER A 31 -0.008 10.006 12.050 1.00 10.00 O ATOM 492 CB SER A 31 2.521 9.950 14.241 1.00 10.00 C ATOM 493 OG SER A 31 3.689 9.297 14.700 1.00 10.00 O ATOM 0 H SER A 31 3.324 7.744 13.562 1.00 10.00 H new ATOM 0 HA SER A 31 0.766 8.743 14.075 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.795 10.792 13.605 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.968 10.356 15.088 1.00 10.00 H new ATOM 0 HG SER A 31 4.356 9.277 13.982 1.00 10.00 H new ATOM 499 N LEU A 32 2.012 9.577 11.159 1.00 10.00 N ATOM 500 CA LEU A 32 1.689 10.130 9.857 1.00 10.00 C ATOM 501 C LEU A 32 0.678 9.208 9.201 1.00 10.00 C ATOM 502 O LEU A 32 -0.250 9.644 8.535 1.00 10.00 O ATOM 503 CB LEU A 32 2.981 10.253 9.032 1.00 10.00 C ATOM 504 CG LEU A 32 2.883 10.971 7.687 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.708 9.959 6.579 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.752 11.981 7.678 1.00 10.00 C ATOM 0 H LEU A 32 2.946 9.172 11.223 1.00 10.00 H new ATOM 0 HA LEU A 32 1.254 11.126 9.935 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.722 10.773 9.640 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.364 9.249 8.852 1.00 10.00 H new ATOM 0 HG LEU A 32 3.809 11.521 7.523 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.639 10.476 5.622 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.563 9.283 6.565 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.796 9.387 6.749 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.711 12.473 6.706 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.807 11.471 7.866 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.923 12.726 8.455 1.00 10.00 H new ATOM 518 N CYS A 33 0.825 7.927 9.487 1.00 10.00 N ATOM 519 CA CYS A 33 -0.035 6.906 8.945 1.00 10.00 C ATOM 520 C CYS A 33 -1.407 7.159 9.485 1.00 10.00 C ATOM 521 O CYS A 33 -2.401 7.027 8.776 1.00 10.00 O ATOM 522 CB CYS A 33 0.464 5.563 9.457 1.00 10.00 C ATOM 523 SG CYS A 33 -0.235 4.110 8.656 1.00 10.00 S ATOM 0 H CYS A 33 1.552 7.570 10.107 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.043 6.911 7.855 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.548 5.532 9.343 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.254 5.502 10.525 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.047 4.483 7.712 1.00 10.00 H new ATOM 529 N LYS A 34 -1.464 7.582 10.719 1.00 10.00 N ATOM 530 CA LYS A 34 -2.695 7.784 11.392 1.00 10.00 C ATOM 531 C LYS A 34 -3.498 8.947 10.843 1.00 10.00 C ATOM 532 O LYS A 34 -4.716 8.948 10.974 1.00 10.00 O ATOM 533 CB LYS A 34 -2.362 7.955 12.861 1.00 10.00 C ATOM 534 CG LYS A 34 -3.333 8.813 13.638 1.00 10.00 C ATOM 535 CD LYS A 34 -2.602 9.906 14.386 1.00 10.00 C ATOM 536 CE LYS A 34 -3.347 10.269 15.652 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.493 9.092 16.551 1.00 10.00 N ATOM 0 H LYS A 34 -0.641 7.795 11.282 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.347 6.924 11.238 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.318 6.970 13.326 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.367 8.392 12.944 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.060 9.255 12.957 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.890 8.194 14.341 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.593 9.575 14.633 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.502 10.786 13.751 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.815 11.064 16.174 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.332 10.659 15.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.468 9.407 17.542 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.400 8.620 16.361 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.713 8.425 16.380 1.00 10.00 H new ATOM 551 N GLU A 35 -2.879 9.930 10.195 1.00 10.00 N ATOM 552 CA GLU A 35 -3.721 11.011 9.692 1.00 10.00 C ATOM 553 C GLU A 35 -4.417 10.550 8.452 1.00 10.00 C ATOM 554 O GLU A 35 -5.418 11.131 8.034 1.00 10.00 O ATOM 555 CB GLU A 35 -3.011 12.309 9.424 1.00 10.00 C ATOM 556 CG GLU A 35 -1.533 12.167 9.163 1.00 10.00 C ATOM 557 CD GLU A 35 -0.766 13.448 9.440 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.173 14.502 8.923 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.242 13.413 10.182 1.00 10.00 O ATOM 0 H GLU A 35 -1.878 10.004 10.015 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.426 11.235 10.493 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.475 12.792 8.564 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.155 12.971 10.278 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.133 11.366 9.785 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.378 11.872 8.125 1.00 10.00 H new ATOM 566 N TRP A 36 -3.890 9.489 7.858 1.00 10.00 N ATOM 567 CA TRP A 36 -4.521 8.936 6.692 1.00 10.00 C ATOM 568 C TRP A 36 -5.903 8.492 7.127 1.00 10.00 C ATOM 569 O TRP A 36 -6.855 8.581 6.359 1.00 10.00 O ATOM 570 CB TRP A 36 -3.720 7.764 6.109 1.00 10.00 C ATOM 571 CG TRP A 36 -2.367 8.164 5.563 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.537 9.139 6.054 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.682 7.602 4.425 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.406 9.237 5.281 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.462 8.303 4.296 1.00 10.00 C ATOM 576 CE3 TRP A 36 -1.967 6.582 3.498 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.455 8.028 3.295 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.040 6.310 2.504 1.00 10.00 C ATOM 579 CH2 TRP A 36 0.155 7.033 2.411 1.00 10.00 C ATOM 0 H TRP A 36 -3.044 9.009 8.164 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.575 9.679 5.897 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.581 7.010 6.883 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.301 7.299 5.312 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.743 9.744 6.925 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.353 9.903 5.423 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -2.889 6.023 3.560 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.378 8.583 3.217 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.243 5.527 1.789 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.855 6.798 1.622 1.00 10.00 H new ATOM 590 N GLU A 37 -6.024 8.137 8.417 1.00 10.00 N ATOM 591 CA GLU A 37 -7.276 7.685 8.970 1.00 10.00 C ATOM 592 C GLU A 37 -8.362 8.719 8.793 1.00 10.00 C ATOM 593 O GLU A 37 -9.482 8.470 8.361 1.00 10.00 O ATOM 594 CB GLU A 37 -7.128 7.366 10.451 1.00 10.00 C ATOM 595 CG GLU A 37 -6.119 6.275 10.734 1.00 10.00 C ATOM 596 CD GLU A 37 -6.616 4.884 10.394 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.733 4.530 10.819 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.871 4.125 9.746 1.00 10.00 O ATOM 0 H GLU A 37 -5.255 8.161 9.086 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.558 6.782 8.429 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -6.832 8.271 10.982 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.097 7.066 10.849 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.211 6.476 10.166 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -5.849 6.307 11.789 1.00 10.00 H new ATOM 605 N ALA A 38 -7.858 9.951 9.013 1.00 10.00 N ATOM 606 CA ALA A 38 -8.645 11.173 9.041 1.00 10.00 C ATOM 607 C ALA A 38 -9.140 11.495 7.647 1.00 10.00 C ATOM 608 O ALA A 38 -10.203 12.097 7.480 1.00 10.00 O ATOM 609 CB ALA A 38 -7.778 12.311 9.565 1.00 10.00 C ATOM 0 H ALA A 38 -6.865 10.113 9.179 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.506 11.042 9.696 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.361 13.231 9.589 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.434 12.073 10.572 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.917 12.444 8.910 1.00 10.00 H new ATOM 615 N ALA A 39 -8.396 11.097 6.650 1.00 10.00 N ATOM 616 CA ALA A 39 -8.800 11.365 5.289 1.00 10.00 C ATOM 617 C ALA A 39 -9.684 10.250 4.756 1.00 10.00 C ATOM 618 O ALA A 39 -10.357 10.417 3.737 1.00 10.00 O ATOM 619 CB ALA A 39 -7.582 11.586 4.411 1.00 10.00 C ATOM 0 H ALA A 39 -7.516 10.591 6.748 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.392 12.280 5.274 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.902 11.787 3.389 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.012 12.436 4.786 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -6.956 10.694 4.427 1.00 10.00 H new ATOM 625 N VAL A 40 -9.700 9.125 5.464 1.00 10.00 N ATOM 626 CA VAL A 40 -10.584 8.012 5.141 1.00 10.00 C ATOM 627 C VAL A 40 -11.873 8.143 5.974 1.00 10.00 C ATOM 628 O VAL A 40 -12.454 7.163 6.438 1.00 10.00 O ATOM 629 CB VAL A 40 -9.903 6.657 5.396 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.712 5.539 4.760 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.477 6.649 4.852 1.00 10.00 C ATOM 0 H VAL A 40 -9.103 8.960 6.274 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.827 8.049 4.079 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.856 6.497 6.473 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.221 4.584 4.946 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.713 5.523 5.192 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.783 5.707 3.685 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.019 5.679 5.046 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.496 6.833 3.778 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.896 7.429 5.343 1.00 10.00 H new ATOM 641 N ARG A 41 -12.273 9.395 6.153 1.00 10.00 N ATOM 642 CA ARG A 41 -13.458 9.825 6.931 1.00 10.00 C ATOM 643 C ARG A 41 -14.794 9.138 6.591 1.00 10.00 C ATOM 644 O ARG A 41 -15.847 9.615 7.017 1.00 10.00 O ATOM 645 CB ARG A 41 -13.635 11.340 6.762 1.00 10.00 C ATOM 646 CG ARG A 41 -14.282 11.784 5.444 1.00 10.00 C ATOM 647 CD ARG A 41 -13.337 11.687 4.246 1.00 10.00 C ATOM 648 NE ARG A 41 -13.798 12.507 3.124 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.018 12.913 2.116 1.00 10.00 C ATOM 650 NH1 ARG A 41 -11.736 12.553 2.068 1.00 10.00 N ATOM 651 NH2 ARG A 41 -13.529 13.659 1.141 1.00 10.00 N ATOM 0 H ARG A 41 -11.768 10.183 5.748 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.239 9.525 7.956 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.241 11.712 7.588 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.657 11.814 6.845 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.163 11.170 5.254 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.626 12.813 5.544 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.338 12.006 4.544 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.258 10.647 3.928 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.779 12.787 3.110 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.344 11.964 2.803 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.147 12.866 1.296 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.515 13.921 1.162 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.935 13.969 0.372 1.00 10.00 H new ATOM 665 N ARG A 42 -14.784 8.055 5.851 1.00 10.00 N ATOM 666 CA ARG A 42 -16.028 7.399 5.513 1.00 10.00 C ATOM 667 C ARG A 42 -16.351 6.287 6.492 1.00 10.00 C ATOM 668 O ARG A 42 -15.449 5.644 7.019 1.00 10.00 O ATOM 669 CB ARG A 42 -15.991 6.853 4.100 1.00 10.00 C ATOM 670 CG ARG A 42 -17.181 7.311 3.288 1.00 10.00 C ATOM 671 CD ARG A 42 -17.255 8.826 3.237 1.00 10.00 C ATOM 672 NE ARG A 42 -18.626 9.307 3.126 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.130 10.286 3.877 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.399 10.851 4.829 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.374 10.680 3.698 1.00 10.00 N ATOM 0 H ARG A 42 -13.944 7.614 5.476 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.816 8.150 5.575 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.072 7.175 3.610 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.971 5.764 4.132 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.110 6.913 2.276 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.098 6.913 3.724 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -16.798 9.241 4.135 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -16.675 9.188 2.388 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.235 8.870 2.434 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.442 10.537 4.991 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -18.794 11.600 5.398 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.952 10.236 2.984 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.759 11.429 4.273 1.00 10.00 H new ATOM 689 N LYS A 43 -17.654 6.076 6.730 1.00 10.00 N ATOM 690 CA LYS A 43 -18.132 5.037 7.653 1.00 10.00 C ATOM 691 C LYS A 43 -17.557 3.688 7.303 1.00 10.00 C ATOM 692 O LYS A 43 -17.085 2.947 8.168 1.00 10.00 O ATOM 693 CB LYS A 43 -19.668 4.938 7.624 1.00 10.00 C ATOM 694 CG LYS A 43 -20.186 3.560 8.031 1.00 10.00 C ATOM 695 CD LYS A 43 -21.701 3.524 8.157 1.00 10.00 C ATOM 696 CE LYS A 43 -22.171 2.233 8.822 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.648 2.180 8.968 1.00 10.00 N ATOM 0 H LYS A 43 -18.400 6.616 6.292 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.801 5.323 8.651 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.088 5.690 8.293 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.023 5.171 6.620 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.868 2.823 7.294 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.738 3.273 8.982 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.040 4.380 8.740 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.153 3.612 7.169 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.836 1.380 8.232 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -21.707 2.143 9.804 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.920 1.286 9.424 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -23.968 2.978 9.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.092 2.239 8.029 1.00 10.00 H new ATOM 711 N ASN A 44 -17.619 3.373 6.037 1.00 10.00 N ATOM 712 CA ASN A 44 -17.125 2.121 5.555 1.00 10.00 C ATOM 713 C ASN A 44 -15.631 2.213 5.294 1.00 10.00 C ATOM 714 O ASN A 44 -15.178 2.166 4.151 1.00 10.00 O ATOM 715 CB ASN A 44 -17.882 1.686 4.296 1.00 10.00 C ATOM 716 CG ASN A 44 -18.486 2.840 3.509 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.938 3.942 3.455 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.622 2.586 2.877 1.00 10.00 N ATOM 0 H ASN A 44 -18.013 3.978 5.317 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.292 1.362 6.319 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.202 1.134 3.648 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.678 0.998 4.582 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.071 3.315 2.323 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.047 1.661 2.944 1.00 10.00 H new ATOM 725 N PHE A 45 -14.878 2.389 6.370 1.00 10.00 N ATOM 726 CA PHE A 45 -13.437 2.481 6.284 1.00 10.00 C ATOM 727 C PHE A 45 -12.897 1.243 5.571 1.00 10.00 C ATOM 728 O PHE A 45 -13.121 0.108 6.005 1.00 10.00 O ATOM 729 CB PHE A 45 -12.821 2.646 7.690 1.00 10.00 C ATOM 730 CG PHE A 45 -11.336 2.953 7.707 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.439 2.012 7.252 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.832 4.160 8.185 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.085 2.243 7.260 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.471 4.400 8.195 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.597 3.437 7.731 1.00 10.00 C ATOM 0 H PHE A 45 -15.249 2.471 7.317 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.157 3.362 5.706 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.348 3.446 8.210 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -12.994 1.731 8.256 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.810 1.068 6.879 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.511 4.916 8.551 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.405 1.487 6.896 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.091 5.341 8.566 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.533 3.622 7.738 1.00 10.00 H new ATOM 745 N LYS A 46 -12.255 1.495 4.438 1.00 10.00 N ATOM 746 CA LYS A 46 -11.631 0.463 3.598 1.00 10.00 C ATOM 747 C LYS A 46 -10.580 -0.353 4.395 1.00 10.00 C ATOM 748 O LYS A 46 -10.520 -0.230 5.611 1.00 10.00 O ATOM 749 CB LYS A 46 -11.051 1.154 2.357 1.00 10.00 C ATOM 750 CG LYS A 46 -11.771 0.746 1.076 1.00 10.00 C ATOM 751 CD LYS A 46 -12.416 1.933 0.374 1.00 10.00 C ATOM 752 CE LYS A 46 -13.922 1.744 0.187 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.255 0.436 -0.450 1.00 10.00 N ATOM 0 H LYS A 46 -12.147 2.438 4.064 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.370 -0.270 3.274 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.119 2.235 2.481 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.992 0.909 2.269 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.062 0.268 0.400 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.536 0.006 1.311 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.234 2.838 0.953 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.946 2.077 -0.599 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.417 1.810 1.156 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.314 2.555 -0.427 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -15.120 0.537 -1.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.470 0.139 -1.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.407 -0.281 0.288 1.00 10.00 H new ATOM 767 N PRO A 47 -9.785 -1.254 3.757 1.00 10.00 N ATOM 768 CA PRO A 47 -8.769 -2.054 4.472 1.00 10.00 C ATOM 769 C PRO A 47 -7.938 -1.220 5.464 1.00 10.00 C ATOM 770 O PRO A 47 -7.983 0.004 5.501 1.00 10.00 O ATOM 771 CB PRO A 47 -7.951 -2.657 3.345 1.00 10.00 C ATOM 772 CG PRO A 47 -8.904 -2.775 2.215 1.00 10.00 C ATOM 773 CD PRO A 47 -9.807 -1.570 2.325 1.00 10.00 C ATOM 0 HA PRO A 47 -9.204 -2.816 5.119 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.104 -2.021 3.085 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.546 -3.629 3.625 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.380 -2.788 1.259 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.475 -3.701 2.278 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.440 -0.737 1.725 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.816 -1.792 1.979 1.00 10.00 H new ATOM 781 N THR A 48 -7.079 -1.918 6.187 1.00 10.00 N ATOM 782 CA THR A 48 -6.117 -1.293 7.068 1.00 10.00 C ATOM 783 C THR A 48 -4.995 -0.898 6.149 1.00 10.00 C ATOM 784 O THR A 48 -5.119 -0.805 4.933 1.00 10.00 O ATOM 785 CB THR A 48 -5.677 -2.288 8.139 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.885 -3.360 7.572 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.923 -2.870 8.729 1.00 10.00 C ATOM 0 H THR A 48 -7.032 -2.937 6.177 1.00 10.00 H new ATOM 0 HA THR A 48 -6.505 -0.432 7.612 1.00 10.00 H new ATOM 0 HB THR A 48 -5.065 -1.779 8.884 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.013 -4.176 8.100 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.657 -3.590 9.503 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.525 -2.073 9.166 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.496 -3.371 7.948 1.00 10.00 H new ATOM 795 N LYS A 49 -3.854 -0.791 6.796 1.00 10.00 N ATOM 796 CA LYS A 49 -2.647 -0.307 6.190 1.00 10.00 C ATOM 797 C LYS A 49 -1.802 -1.408 5.540 1.00 10.00 C ATOM 798 O LYS A 49 -0.758 -1.123 4.966 1.00 10.00 O ATOM 799 CB LYS A 49 -1.821 0.390 7.279 1.00 10.00 C ATOM 800 CG LYS A 49 -1.971 -0.192 8.680 1.00 10.00 C ATOM 801 CD LYS A 49 -2.537 0.847 9.646 1.00 10.00 C ATOM 802 CE LYS A 49 -4.016 1.074 9.409 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.639 1.916 10.465 1.00 10.00 N ATOM 0 H LYS A 49 -3.745 -1.045 7.778 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.929 0.375 5.387 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.769 0.349 6.997 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.102 1.443 7.308 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.629 -1.061 8.648 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.002 -0.538 9.040 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.378 0.516 10.672 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.999 1.788 9.527 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.156 1.551 8.439 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.526 0.112 9.368 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.110 1.305 11.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.904 2.480 10.938 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.339 2.552 10.033 1.00 10.00 H new ATOM 817 N TYR A 50 -2.214 -2.665 5.643 1.00 10.00 N ATOM 818 CA TYR A 50 -1.492 -3.694 4.922 1.00 10.00 C ATOM 819 C TYR A 50 -1.974 -3.587 3.495 1.00 10.00 C ATOM 820 O TYR A 50 -1.203 -3.929 2.604 1.00 10.00 O ATOM 821 CB TYR A 50 -1.816 -5.064 5.475 1.00 10.00 C ATOM 822 CG TYR A 50 -1.280 -5.359 6.865 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.042 -5.740 7.089 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.133 -5.313 7.953 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.481 -6.079 8.357 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.699 -5.626 9.222 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.398 -6.016 9.421 1.00 10.00 C ATOM 828 OH TYR A 50 0.004 -6.414 10.672 1.00 10.00 O ATOM 0 H TYR A 50 -3.010 -2.984 6.195 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.413 -3.563 5.008 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.900 -5.182 5.491 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.424 -5.814 4.788 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.734 -5.771 6.261 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.163 -5.025 7.804 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.503 -6.390 8.514 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.380 -5.565 10.058 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.737 -6.304 11.304 1.00 10.00 H new ATOM 838 N SER A 51 -3.200 -3.190 3.216 1.00 10.00 N ATOM 839 CA SER A 51 -3.555 -3.013 1.815 1.00 10.00 C ATOM 840 C SER A 51 -2.680 -1.916 1.214 1.00 10.00 C ATOM 841 O SER A 51 -1.938 -1.210 1.900 1.00 10.00 O ATOM 842 CB SER A 51 -5.023 -2.700 1.649 1.00 10.00 C ATOM 843 OG SER A 51 -5.444 -1.717 2.555 1.00 10.00 O ATOM 0 H SER A 51 -3.934 -2.992 3.896 1.00 10.00 H new ATOM 0 HA SER A 51 -3.375 -3.947 1.283 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.211 -2.362 0.630 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.609 -3.607 1.797 1.00 10.00 H new ATOM 0 HG SER A 51 -4.755 -1.587 3.240 1.00 10.00 H new ATOM 849 N SER A 52 -2.818 -1.768 -0.085 1.00 10.00 N ATOM 850 CA SER A 52 -2.043 -0.826 -0.829 1.00 10.00 C ATOM 851 C SER A 52 -2.919 0.341 -1.314 1.00 10.00 C ATOM 852 O SER A 52 -4.146 0.250 -1.364 1.00 10.00 O ATOM 853 CB SER A 52 -1.376 -1.604 -1.965 1.00 10.00 C ATOM 854 OG SER A 52 -2.094 -2.821 -2.239 1.00 10.00 O ATOM 0 H SER A 52 -3.477 -2.305 -0.649 1.00 10.00 H new ATOM 0 HA SER A 52 -1.272 -0.360 -0.216 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.340 -0.987 -2.863 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.345 -1.837 -1.697 1.00 10.00 H new ATOM 0 HG SER A 52 -2.994 -2.604 -2.560 1.00 10.00 H new ATOM 860 N ILE A 53 -2.249 1.434 -1.688 1.00 10.00 N ATOM 861 CA ILE A 53 -2.912 2.675 -2.095 1.00 10.00 C ATOM 862 C ILE A 53 -2.285 3.154 -3.415 1.00 10.00 C ATOM 863 O ILE A 53 -1.161 2.787 -3.701 1.00 10.00 O ATOM 864 CB ILE A 53 -2.754 3.780 -0.996 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.535 3.431 0.274 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.217 5.129 -1.505 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.863 2.393 1.129 1.00 10.00 C ATOM 0 H ILE A 53 -1.231 1.483 -1.717 1.00 10.00 H new ATOM 0 HA ILE A 53 -3.977 2.487 -2.229 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.692 3.829 -0.755 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.678 4.337 0.863 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.526 3.073 -0.006 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.095 5.875 -0.720 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.622 5.414 -2.373 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.268 5.070 -1.789 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.474 2.197 2.010 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.744 1.472 0.558 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.883 2.756 1.440 1.00 10.00 H new ATOM 879 N CYS A 54 -2.983 3.956 -4.226 1.00 10.00 N ATOM 880 CA CYS A 54 -2.403 4.434 -5.490 1.00 10.00 C ATOM 881 C CYS A 54 -1.991 5.932 -5.419 1.00 10.00 C ATOM 882 O CYS A 54 -2.435 6.681 -4.545 1.00 10.00 O ATOM 883 CB CYS A 54 -3.360 4.124 -6.640 1.00 10.00 C ATOM 884 SG CYS A 54 -4.789 5.198 -6.739 1.00 10.00 S ATOM 0 H CYS A 54 -3.931 4.283 -4.038 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.473 3.898 -5.678 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.810 4.187 -7.579 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.703 3.094 -6.541 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.710 4.770 -5.928 1.00 10.00 H new ATOM 889 N SER A 55 -1.126 6.334 -6.363 1.00 10.00 N ATOM 890 CA SER A 55 -0.454 7.658 -6.395 1.00 10.00 C ATOM 891 C SER A 55 -1.308 8.932 -6.455 1.00 10.00 C ATOM 892 O SER A 55 -0.947 9.940 -5.846 1.00 10.00 O ATOM 893 CB SER A 55 0.543 7.660 -7.544 1.00 10.00 C ATOM 894 OG SER A 55 0.090 6.857 -8.611 1.00 10.00 O ATOM 0 H SER A 55 -0.863 5.738 -7.148 1.00 10.00 H new ATOM 0 HA SER A 55 -0.002 7.735 -5.406 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.698 8.681 -7.893 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.508 7.293 -7.193 1.00 10.00 H new ATOM 0 HG SER A 55 -0.417 7.408 -9.243 1.00 10.00 H new ATOM 900 N GLU A 56 -2.421 8.888 -7.138 1.00 10.00 N ATOM 901 CA GLU A 56 -3.285 10.063 -7.325 1.00 10.00 C ATOM 902 C GLU A 56 -3.757 10.713 -6.023 1.00 10.00 C ATOM 903 O GLU A 56 -4.280 11.829 -6.023 1.00 10.00 O ATOM 904 CB GLU A 56 -4.510 9.621 -8.110 1.00 10.00 C ATOM 905 CG GLU A 56 -4.889 8.187 -7.792 1.00 10.00 C ATOM 906 CD GLU A 56 -6.359 8.001 -7.492 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.186 8.792 -7.981 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.684 7.045 -6.747 1.00 10.00 O ATOM 0 H GLU A 56 -2.770 8.042 -7.589 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.691 10.813 -7.846 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.348 10.279 -7.879 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.313 9.718 -9.178 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.616 7.552 -8.635 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.306 7.848 -6.936 1.00 10.00 H new ATOM 915 N HIS A 57 -3.594 9.991 -4.926 1.00 10.00 N ATOM 916 CA HIS A 57 -4.058 10.446 -3.616 1.00 10.00 C ATOM 917 C HIS A 57 -3.063 11.316 -2.840 1.00 10.00 C ATOM 918 O HIS A 57 -3.452 11.991 -1.885 1.00 10.00 O ATOM 919 CB HIS A 57 -4.405 9.228 -2.774 1.00 10.00 C ATOM 920 CG HIS A 57 -5.524 8.408 -3.336 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.793 8.893 -3.565 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.554 7.096 -3.682 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.545 7.876 -4.025 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.831 6.765 -4.116 1.00 10.00 N ATOM 0 H HIS A 57 -3.140 9.078 -4.913 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.922 11.083 -3.808 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.519 8.600 -2.677 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.675 9.556 -1.770 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.716 6.416 -3.628 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.590 7.956 -4.285 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.153 5.853 -4.439 1.00 10.00 H new ATOM 932 N PHE A 58 -1.806 11.326 -3.227 1.00 10.00 N ATOM 933 CA PHE A 58 -0.823 12.110 -2.482 1.00 10.00 C ATOM 934 C PHE A 58 0.115 12.827 -3.410 1.00 10.00 C ATOM 935 O PHE A 58 0.448 12.322 -4.484 1.00 10.00 O ATOM 936 CB PHE A 58 -0.007 11.269 -1.489 1.00 10.00 C ATOM 937 CG PHE A 58 -0.035 9.808 -1.726 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.556 9.297 -2.856 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.614 8.949 -0.811 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.570 7.949 -3.084 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.613 7.594 -1.033 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.022 7.092 -2.171 1.00 10.00 C ATOM 0 H PHE A 58 -1.439 10.817 -4.031 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.400 12.834 -1.907 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.029 11.606 -1.519 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.377 11.465 -0.483 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.013 9.966 -3.570 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.070 9.346 0.084 1.00 10.00 H new ATOM 0 HE1 PHE A 58 1.041 7.554 -3.972 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.073 6.926 -0.320 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.020 6.027 -2.352 1.00 10.00 H new ATOM 952 N THR A 59 0.442 14.053 -3.016 1.00 10.00 N ATOM 953 CA THR A 59 1.335 14.872 -3.763 1.00 10.00 C ATOM 954 C THR A 59 2.526 14.084 -4.178 1.00 10.00 C ATOM 955 O THR A 59 3.035 13.273 -3.416 1.00 10.00 O ATOM 956 CB THR A 59 1.758 16.113 -2.977 1.00 10.00 C ATOM 957 OG1 THR A 59 1.935 15.780 -1.598 1.00 10.00 O ATOM 958 CG2 THR A 59 0.707 17.197 -3.112 1.00 10.00 C ATOM 0 H THR A 59 0.085 14.490 -2.166 1.00 10.00 H new ATOM 0 HA THR A 59 0.808 15.216 -4.653 1.00 10.00 H new ATOM 0 HB THR A 59 2.702 16.481 -3.380 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.208 16.579 -1.101 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.017 18.077 -2.549 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.590 17.462 -4.163 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.243 16.833 -2.722 1.00 10.00 H new ATOM 966 N PRO A 60 2.936 14.277 -5.416 1.00 10.00 N ATOM 967 CA PRO A 60 4.081 13.599 -5.995 1.00 10.00 C ATOM 968 C PRO A 60 5.298 13.663 -5.102 1.00 10.00 C ATOM 969 O PRO A 60 6.101 12.735 -5.021 1.00 10.00 O ATOM 970 CB PRO A 60 4.339 14.404 -7.281 1.00 10.00 C ATOM 971 CG PRO A 60 3.473 15.616 -7.183 1.00 10.00 C ATOM 972 CD PRO A 60 2.302 15.181 -6.386 1.00 10.00 C ATOM 0 HA PRO A 60 3.892 12.537 -6.154 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.390 14.680 -7.365 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.092 13.817 -8.166 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.998 16.439 -6.698 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.171 15.968 -8.170 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.800 16.018 -5.901 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.555 14.672 -6.996 1.00 10.00 H new ATOM 980 N ASP A 61 5.344 14.746 -4.357 1.00 10.00 N ATOM 981 CA ASP A 61 6.386 14.960 -3.387 1.00 10.00 C ATOM 982 C ASP A 61 6.292 13.857 -2.343 1.00 10.00 C ATOM 983 O ASP A 61 7.297 13.255 -1.970 1.00 10.00 O ATOM 984 CB ASP A 61 6.242 16.316 -2.705 1.00 10.00 C ATOM 985 CG ASP A 61 5.934 17.469 -3.653 1.00 10.00 C ATOM 986 OD1 ASP A 61 6.856 17.941 -4.351 1.00 10.00 O ATOM 987 OD2 ASP A 61 4.769 17.919 -3.691 1.00 10.00 O ATOM 0 H ASP A 61 4.659 15.500 -4.409 1.00 10.00 H new ATOM 0 HA ASP A 61 7.352 14.943 -3.892 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.448 16.252 -1.961 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.165 16.539 -2.169 1.00 10.00 H new ATOM 992 N SER A 62 5.063 13.607 -1.870 1.00 10.00 N ATOM 993 CA SER A 62 4.811 12.650 -0.804 1.00 10.00 C ATOM 994 C SER A 62 4.504 11.258 -1.297 1.00 10.00 C ATOM 995 O SER A 62 4.140 10.383 -0.525 1.00 10.00 O ATOM 996 CB SER A 62 3.620 13.107 0.022 1.00 10.00 C ATOM 997 OG SER A 62 3.871 12.913 1.402 1.00 10.00 O ATOM 0 H SER A 62 4.222 14.066 -2.221 1.00 10.00 H new ATOM 0 HA SER A 62 5.731 12.610 -0.221 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.418 14.160 -0.172 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.730 12.551 -0.274 1.00 10.00 H new ATOM 0 HG SER A 62 3.057 12.588 1.840 1.00 10.00 H new ATOM 1003 N PHE A 63 4.656 11.094 -2.597 1.00 10.00 N ATOM 1004 CA PHE A 63 4.429 9.817 -3.265 1.00 10.00 C ATOM 1005 C PHE A 63 4.960 8.609 -2.467 1.00 10.00 C ATOM 1006 O PHE A 63 4.182 7.721 -2.125 1.00 10.00 O ATOM 1007 CB PHE A 63 5.079 9.820 -4.647 1.00 10.00 C ATOM 1008 CG PHE A 63 4.142 10.052 -5.801 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.840 10.462 -5.599 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.575 9.844 -7.099 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.988 10.659 -6.658 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.725 10.044 -8.168 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.428 10.450 -7.948 1.00 10.00 C ATOM 0 H PHE A 63 4.942 11.844 -3.227 1.00 10.00 H new ATOM 0 HA PHE A 63 3.348 9.707 -3.347 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.849 10.591 -4.666 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.581 8.864 -4.796 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.486 10.631 -4.593 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.590 9.521 -7.278 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.972 10.978 -6.480 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.077 9.882 -9.176 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.759 10.604 -8.781 1.00 10.00 H new ATOM 1023 N LYS A 64 6.272 8.565 -2.161 1.00 10.00 N ATOM 1024 CA LYS A 64 6.831 7.408 -1.429 1.00 10.00 C ATOM 1025 C LYS A 64 8.298 7.598 -1.047 1.00 10.00 C ATOM 1026 O LYS A 64 8.693 8.676 -0.623 1.00 10.00 O ATOM 1027 CB LYS A 64 6.668 6.128 -2.263 1.00 10.00 C ATOM 1028 CG LYS A 64 7.157 6.257 -3.691 1.00 10.00 C ATOM 1029 CD LYS A 64 6.357 5.362 -4.610 1.00 10.00 C ATOM 1030 CE LYS A 64 6.929 5.355 -6.008 1.00 10.00 C ATOM 1031 NZ LYS A 64 8.190 4.578 -6.079 1.00 10.00 N ATOM 0 H LYS A 64 6.947 9.291 -2.400 1.00 10.00 H new ATOM 0 HA LYS A 64 6.269 7.321 -0.499 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.210 5.318 -1.776 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.615 5.845 -2.274 1.00 10.00 H new ATOM 0 HG2 LYS A 64 7.071 7.293 -4.018 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.213 5.992 -3.745 1.00 10.00 H new ATOM 0 HD2 LYS A 64 6.348 4.347 -4.214 1.00 10.00 H new ATOM 0 HD3 LYS A 64 5.322 5.702 -4.641 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.200 4.930 -6.698 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.114 6.379 -6.331 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 8.841 5.034 -6.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.630 4.544 -5.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 7.984 3.610 -6.400 1.00 10.00 H new ATOM 1045 N ARG A 65 9.110 6.546 -1.236 1.00 10.00 N ATOM 1046 CA ARG A 65 10.523 6.576 -0.860 1.00 10.00 C ATOM 1047 C ARG A 65 11.310 7.619 -1.639 1.00 10.00 C ATOM 1048 O ARG A 65 12.396 7.998 -1.220 1.00 10.00 O ATOM 1049 CB ARG A 65 11.191 5.194 -1.017 1.00 10.00 C ATOM 1050 CG ARG A 65 10.823 4.445 -2.288 1.00 10.00 C ATOM 1051 CD ARG A 65 10.889 2.935 -2.082 1.00 10.00 C ATOM 1052 NE ARG A 65 12.211 2.393 -2.396 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.796 1.414 -1.717 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.212 0.890 -0.645 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.984 0.975 -2.103 1.00 10.00 N ATOM 0 H ARG A 65 8.806 5.664 -1.649 1.00 10.00 H new ATOM 0 HA ARG A 65 10.542 6.855 0.194 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.273 5.325 -0.990 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.923 4.578 -0.159 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.818 4.728 -2.601 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.500 4.734 -3.092 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.638 2.700 -1.048 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.141 2.451 -2.710 1.00 10.00 H new ATOM 0 HE ARG A 65 12.715 2.793 -3.187 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.305 1.240 -0.336 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.671 0.138 -0.131 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.441 1.389 -2.915 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.442 0.223 -1.588 1.00 10.00 H new ATOM 1069 N GLU A 66 10.755 8.103 -2.751 1.00 10.00 N ATOM 1070 CA GLU A 66 11.429 9.112 -3.575 1.00 10.00 C ATOM 1071 C GLU A 66 11.182 10.505 -3.010 1.00 10.00 C ATOM 1072 O GLU A 66 11.512 11.509 -3.638 1.00 10.00 O ATOM 1073 CB GLU A 66 10.990 9.039 -5.052 1.00 10.00 C ATOM 1074 CG GLU A 66 11.493 7.795 -5.760 1.00 10.00 C ATOM 1075 CD GLU A 66 10.438 6.721 -5.847 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.090 6.125 -4.802 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.939 6.477 -6.962 1.00 10.00 O ATOM 0 H GLU A 66 9.842 7.814 -3.103 1.00 10.00 H new ATOM 0 HA GLU A 66 12.498 8.901 -3.546 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.901 9.064 -5.103 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.354 9.922 -5.578 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.823 8.060 -6.765 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.363 7.405 -5.231 1.00 10.00 H new ATOM 1084 N SER A 67 10.557 10.549 -1.833 1.00 10.00 N ATOM 1085 CA SER A 67 10.235 11.799 -1.158 1.00 10.00 C ATOM 1086 C SER A 67 11.509 12.532 -0.678 1.00 10.00 C ATOM 1087 O SER A 67 12.227 13.139 -1.477 1.00 10.00 O ATOM 1088 CB SER A 67 9.270 11.479 0.000 1.00 10.00 C ATOM 1089 OG SER A 67 9.335 12.407 1.063 1.00 10.00 O ATOM 0 H SER A 67 10.261 9.716 -1.323 1.00 10.00 H new ATOM 0 HA SER A 67 9.749 12.485 -1.852 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.251 11.451 -0.385 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.493 10.484 0.384 1.00 10.00 H new ATOM 0 HG SER A 67 9.549 11.936 1.895 1.00 10.00 H new ATOM 1095 N ASN A 68 11.789 12.471 0.616 1.00 10.00 N ATOM 1096 CA ASN A 68 12.956 13.138 1.184 1.00 10.00 C ATOM 1097 C ASN A 68 14.087 12.160 1.382 1.00 10.00 C ATOM 1098 O ASN A 68 15.074 12.177 0.645 1.00 10.00 O ATOM 1099 CB ASN A 68 12.616 13.794 2.531 1.00 10.00 C ATOM 1100 CG ASN A 68 13.327 15.130 2.741 1.00 10.00 C ATOM 1101 OD1 ASN A 68 14.529 15.266 2.199 1.00 10.00 O flip ATOM 1102 ND2 ASN A 68 12.799 16.032 3.388 1.00 10.00 N flip ATOM 0 H ASN A 68 11.222 11.965 1.296 1.00 10.00 H new ATOM 0 HA ASN A 68 13.265 13.910 0.480 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.539 13.949 2.592 1.00 10.00 H new ATOM 0 HB3 ASN A 68 12.887 13.114 3.339 1.00 10.00 H new ATOM 0 HD21 ASN A 68 11.873 15.895 3.792 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.287 16.918 3.521 1.00 10.00 H new ATOM 1109 N ASN A 69 13.924 11.288 2.358 1.00 10.00 N ATOM 1110 CA ASN A 69 14.969 10.315 2.678 1.00 10.00 C ATOM 1111 C ASN A 69 14.665 8.937 2.103 1.00 10.00 C ATOM 1112 O ASN A 69 15.334 8.493 1.166 1.00 10.00 O ATOM 1113 CB ASN A 69 15.195 10.220 4.199 1.00 10.00 C ATOM 1114 CG ASN A 69 16.071 9.041 4.575 1.00 10.00 C ATOM 1115 OD1 ASN A 69 17.110 8.811 3.961 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.656 8.281 5.577 1.00 10.00 N ATOM 0 H ASN A 69 13.090 11.227 2.942 1.00 10.00 H new ATOM 0 HA ASN A 69 15.886 10.675 2.210 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.657 11.141 4.554 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.233 10.131 4.703 1.00 10.00 H new ATOM 0 HD21 ASN A 69 16.205 7.471 5.864 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.787 8.506 6.062 1.00 10.00 H new ATOM 1123 N LYS A 70 13.672 8.253 2.667 1.00 10.00 N ATOM 1124 CA LYS A 70 13.330 6.912 2.189 1.00 10.00 C ATOM 1125 C LYS A 70 11.837 6.625 2.273 1.00 10.00 C ATOM 1126 O LYS A 70 11.407 5.517 1.981 1.00 10.00 O ATOM 1127 CB LYS A 70 14.115 5.856 2.969 1.00 10.00 C ATOM 1128 CG LYS A 70 14.744 4.780 2.099 1.00 10.00 C ATOM 1129 CD LYS A 70 15.982 5.320 1.402 1.00 10.00 C ATOM 1130 CE LYS A 70 17.127 5.476 2.382 1.00 10.00 C ATOM 1131 NZ LYS A 70 18.105 6.494 1.926 1.00 10.00 N ATOM 0 H LYS A 70 13.100 8.594 3.439 1.00 10.00 H new ATOM 0 HA LYS A 70 13.606 6.868 1.135 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.900 6.351 3.540 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.448 5.382 3.689 1.00 10.00 H new ATOM 0 HG2 LYS A 70 15.010 3.918 2.711 1.00 10.00 H new ATOM 0 HG3 LYS A 70 14.023 4.435 1.358 1.00 10.00 H new ATOM 0 HD2 LYS A 70 16.275 4.645 0.598 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.756 6.283 0.944 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.734 5.760 3.358 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.631 4.518 2.508 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 19.071 6.135 2.066 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.953 6.694 0.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.978 7.368 2.475 1.00 10.00 H new ATOM 1145 N LEU A 71 11.052 7.602 2.698 1.00 10.00 N ATOM 1146 CA LEU A 71 9.606 7.429 2.800 1.00 10.00 C ATOM 1147 C LEU A 71 8.924 8.746 2.448 1.00 10.00 C ATOM 1148 O LEU A 71 9.587 9.627 1.926 1.00 10.00 O ATOM 1149 CB LEU A 71 9.232 6.984 4.214 1.00 10.00 C ATOM 1150 CG LEU A 71 8.168 5.890 4.285 1.00 10.00 C ATOM 1151 CD1 LEU A 71 7.008 6.347 5.131 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.695 5.477 2.894 1.00 10.00 C ATOM 0 H LEU A 71 11.388 8.523 2.978 1.00 10.00 H new ATOM 0 HA LEU A 71 9.273 6.658 2.104 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.131 6.629 4.717 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.877 7.852 4.770 1.00 10.00 H new ATOM 0 HG LEU A 71 8.617 5.012 4.750 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.256 5.559 5.174 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.358 6.570 6.139 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.569 7.243 4.693 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.939 4.697 2.984 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.268 6.340 2.384 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.540 5.098 2.320 1.00 10.00 H new ATOM 1164 N LEU A 72 7.622 8.891 2.779 1.00 10.00 N ATOM 1165 CA LEU A 72 6.853 10.096 2.418 1.00 10.00 C ATOM 1166 C LEU A 72 7.448 11.309 3.107 1.00 10.00 C ATOM 1167 O LEU A 72 8.487 11.273 3.772 1.00 10.00 O ATOM 1168 CB LEU A 72 5.371 9.946 2.751 1.00 10.00 C ATOM 1169 CG LEU A 72 4.708 8.695 2.167 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.795 7.531 3.126 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.256 8.953 1.826 1.00 10.00 C ATOM 0 H LEU A 72 7.087 8.191 3.293 1.00 10.00 H new ATOM 0 HA LEU A 72 6.920 10.232 1.339 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.256 9.929 3.835 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.840 10.826 2.387 1.00 10.00 H new ATOM 0 HG LEU A 72 5.249 8.445 1.254 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.316 6.658 2.683 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.842 7.306 3.331 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.291 7.788 4.057 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.813 8.047 1.414 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.717 9.243 2.728 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.192 9.755 1.091 1.00 10.00 H new ATOM 1183 N LYS A 73 6.705 12.398 2.954 1.00 10.00 N ATOM 1184 CA LYS A 73 6.979 13.609 3.693 1.00 10.00 C ATOM 1185 C LYS A 73 6.148 13.477 4.956 1.00 10.00 C ATOM 1186 O LYS A 73 4.933 13.563 4.896 1.00 10.00 O ATOM 1187 CB LYS A 73 6.596 14.928 2.991 1.00 10.00 C ATOM 1188 CG LYS A 73 6.248 14.812 1.527 1.00 10.00 C ATOM 1189 CD LYS A 73 7.464 14.477 0.688 1.00 10.00 C ATOM 1190 CE LYS A 73 8.484 15.600 0.663 1.00 10.00 C ATOM 1191 NZ LYS A 73 7.911 16.861 0.120 1.00 10.00 N ATOM 0 H LYS A 73 5.907 12.460 2.321 1.00 10.00 H new ATOM 0 HA LYS A 73 8.056 13.686 3.840 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.745 15.363 3.515 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.426 15.628 3.094 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.490 14.041 1.393 1.00 10.00 H new ATOM 0 HG3 LYS A 73 5.814 15.750 1.181 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.933 13.574 1.079 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.148 14.256 -0.331 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.855 15.776 1.673 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.339 15.300 0.057 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 8.475 17.175 -0.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.929 16.695 -0.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.928 17.595 0.856 1.00 10.00 H new ATOM 1205 N GLU A 74 6.775 13.163 6.055 1.00 10.00 N ATOM 1206 CA GLU A 74 6.069 12.987 7.334 1.00 10.00 C ATOM 1207 C GLU A 74 5.139 14.140 7.744 1.00 10.00 C ATOM 1208 O GLU A 74 4.441 14.066 8.756 1.00 10.00 O ATOM 1209 CB GLU A 74 7.078 12.806 8.445 1.00 10.00 C ATOM 1210 CG GLU A 74 7.663 14.106 8.973 1.00 10.00 C ATOM 1211 CD GLU A 74 8.586 14.790 7.979 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.777 14.420 7.904 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.116 15.703 7.270 1.00 10.00 O ATOM 0 H GLU A 74 7.783 13.018 6.110 1.00 10.00 H new ATOM 0 HA GLU A 74 5.437 12.113 7.180 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.603 12.273 9.269 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.890 12.175 8.084 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.850 14.785 9.232 1.00 10.00 H new ATOM 0 HG3 GLU A 74 8.214 13.903 9.891 1.00 10.00 H new ATOM 1220 N ASN A 75 5.154 15.182 6.945 1.00 10.00 N ATOM 1221 CA ASN A 75 4.285 16.337 7.112 1.00 10.00 C ATOM 1222 C ASN A 75 3.217 16.372 6.008 1.00 10.00 C ATOM 1223 O ASN A 75 2.589 17.404 5.754 1.00 10.00 O ATOM 1224 CB ASN A 75 5.112 17.608 7.066 1.00 10.00 C ATOM 1225 CG ASN A 75 5.360 18.165 8.440 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.523 17.277 9.399 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 5.399 19.376 8.646 1.00 10.00 N flip ATOM 0 H ASN A 75 5.781 15.257 6.144 1.00 10.00 H new ATOM 0 HA ASN A 75 3.785 16.262 8.078 1.00 10.00 H new ATOM 0 HB2 ASN A 75 6.066 17.403 6.580 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.598 18.354 6.459 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.268 20.029 7.874 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.563 19.728 9.589 1.00 10.00 H new ATOM 1234 N ALA A 76 3.020 15.236 5.369 1.00 10.00 N ATOM 1235 CA ALA A 76 2.050 15.082 4.274 1.00 10.00 C ATOM 1236 C ALA A 76 1.415 13.701 4.334 1.00 10.00 C ATOM 1237 O ALA A 76 1.996 12.720 4.784 1.00 10.00 O ATOM 1238 CB ALA A 76 2.752 15.225 2.934 1.00 10.00 C ATOM 0 H ALA A 76 3.528 14.379 5.588 1.00 10.00 H new ATOM 0 HA ALA A 76 1.286 15.852 4.380 1.00 10.00 H new ATOM 0 HB1 ALA A 76 2.026 15.110 2.129 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.213 16.210 2.868 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.521 14.458 2.842 1.00 10.00 H new ATOM 1244 N VAL A 77 0.174 13.701 3.842 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.724 12.550 3.804 1.00 10.00 C ATOM 1246 C VAL A 77 -1.710 12.704 2.621 1.00 10.00 C ATOM 1247 O VAL A 77 -1.961 13.827 2.183 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.513 12.489 5.163 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.597 13.859 5.830 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -2.922 11.932 4.991 1.00 10.00 C ATOM 0 H VAL A 77 -0.248 14.540 3.443 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.156 11.630 3.668 1.00 10.00 H new ATOM 0 HB VAL A 77 -0.947 11.812 5.803 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.149 13.775 6.766 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.591 14.227 6.034 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.110 14.556 5.167 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.425 11.910 5.958 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.483 12.566 4.304 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.867 10.921 4.588 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.199 11.575 2.036 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.201 11.587 0.964 1.00 10.00 C ATOM 1262 C PRO A 78 -4.267 12.548 1.412 1.00 10.00 C ATOM 1263 O PRO A 78 -4.912 12.385 2.445 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.714 10.144 0.902 1.00 10.00 C ATOM 1265 CG PRO A 78 -2.983 9.400 1.971 1.00 10.00 C ATOM 1266 CD PRO A 78 -1.796 10.233 2.371 1.00 10.00 C ATOM 0 HA PRO A 78 -2.842 11.896 -0.018 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -4.791 10.105 1.067 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.525 9.705 -0.078 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.633 9.223 2.828 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.661 8.424 1.607 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.576 10.134 3.434 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -0.897 9.937 1.830 1.00 10.00 H new ATOM 1274 N THR A 79 -4.442 13.546 0.600 1.00 10.00 N ATOM 1275 CA THR A 79 -5.447 14.552 0.817 1.00 10.00 C ATOM 1276 C THR A 79 -6.360 14.642 -0.381 1.00 10.00 C ATOM 1277 O THR A 79 -7.399 15.297 -0.341 1.00 10.00 O ATOM 1278 CB THR A 79 -4.835 15.915 1.063 1.00 10.00 C ATOM 1279 OG1 THR A 79 -3.858 16.196 0.058 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.202 15.967 2.429 1.00 10.00 C ATOM 0 H THR A 79 -3.886 13.690 -0.243 1.00 10.00 H new ATOM 0 HA THR A 79 -6.010 14.257 1.702 1.00 10.00 H new ATOM 0 HB THR A 79 -5.622 16.668 1.017 1.00 10.00 H new ATOM 0 HG1 THR A 79 -3.466 17.079 0.221 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.766 16.953 2.591 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.960 15.776 3.189 1.00 10.00 H new ATOM 0 HG23 THR A 79 -3.421 15.210 2.497 1.00 10.00 H new ATOM 1288 N ILE A 80 -5.962 13.978 -1.458 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.702 14.028 -2.712 1.00 10.00 C ATOM 1290 C ILE A 80 -7.728 12.898 -2.787 1.00 10.00 C ATOM 1291 O ILE A 80 -8.385 12.734 -3.806 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.750 13.883 -3.929 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.365 14.469 -3.610 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.343 14.535 -5.163 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.270 15.973 -3.692 1.00 10.00 C ATOM 0 H ILE A 80 -5.126 13.395 -1.488 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.204 14.995 -2.743 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.628 12.820 -4.138 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.079 14.157 -2.606 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.638 14.037 -4.298 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.656 14.419 -6.001 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.294 14.060 -5.404 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.506 15.596 -4.971 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.255 16.287 -3.450 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.520 16.299 -4.702 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -4.967 16.421 -2.984 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.863 12.129 -1.697 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.780 10.979 -1.653 1.00 10.00 C ATOM 1309 C PHE A 81 -10.098 11.216 -2.380 1.00 10.00 C ATOM 1310 O PHE A 81 -10.494 10.375 -3.186 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.095 10.547 -0.217 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.133 9.553 0.375 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.296 8.793 -0.427 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.093 9.364 1.739 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.431 7.870 0.125 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.235 8.437 2.303 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.401 7.690 1.495 1.00 10.00 C ATOM 0 H PHE A 81 -7.347 12.283 -0.831 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.240 10.188 -2.173 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.114 11.433 0.417 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.097 10.118 -0.194 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.321 8.925 -1.499 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -8.740 9.948 2.377 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.779 7.290 -0.512 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.218 8.298 3.374 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.728 6.968 1.932 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.766 12.343 -2.107 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.044 12.654 -2.741 1.00 10.00 C ATOM 1329 C LEU A 82 -12.500 14.042 -2.346 1.00 10.00 C ATOM 1330 O LEU A 82 -12.083 14.558 -1.310 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.097 11.646 -2.316 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.660 10.738 -3.427 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.152 10.922 -3.545 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.012 10.987 -4.786 1.00 10.00 C ATOM 0 H LEU A 82 -10.439 13.052 -1.451 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.911 12.609 -3.822 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.670 11.012 -1.539 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -13.927 12.188 -1.864 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.426 9.714 -3.136 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.537 10.275 -4.333 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.627 10.663 -2.599 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.372 11.961 -3.789 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.450 10.318 -5.526 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.182 12.021 -5.086 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -11.940 10.800 -4.718 1.00 10.00 H new