USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 645 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 77 THR OG1 : rot -66:sc= -0.262 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 146:sc= -0.276 (180deg=-1.59!) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 LYS NZ :NH3+ -121:sc= 0.00365 (180deg=0) USER MOD Set 3.1: A 9 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 78:sc= 0.114 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0929 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -154:sc= 1.08 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 0.128 (180deg=-1.15!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0886 K(o=-0.089,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 149:sc= -0.0117 (180deg=-0.0586) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.811 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -48:sc= 0.709 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.555) USER MOD Single : A 68 TYR OH : rot -130:sc= -0.166 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-3.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0428 K(o=-0.043,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0852 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.365 14.876 -6.309 1.00 0.00 N ATOM 2 CA GLY A 1 11.975 15.504 -5.152 1.00 0.00 C ATOM 3 C GLY A 1 12.896 14.563 -4.400 1.00 0.00 C ATOM 4 O GLY A 1 12.907 13.359 -4.655 1.00 0.00 O ATOM 0 H1 GLY A 1 11.800 15.249 -7.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.511 13.847 -6.263 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.345 15.081 -6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.539 16.380 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.193 15.857 -4.479 1.00 0.00 H new ATOM 8 N SER A 2 13.671 15.114 -3.471 1.00 0.00 N ATOM 9 CA SER A 2 14.604 14.316 -2.683 1.00 0.00 C ATOM 10 C SER A 2 13.867 13.232 -1.903 1.00 0.00 C ATOM 11 O SER A 2 13.158 13.518 -0.939 1.00 0.00 O ATOM 12 CB SER A 2 15.385 15.211 -1.719 1.00 0.00 C ATOM 13 OG SER A 2 16.361 15.973 -2.408 1.00 0.00 O ATOM 0 H SER A 2 13.672 16.109 -3.246 1.00 0.00 H new ATOM 0 HA SER A 2 15.302 13.836 -3.369 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.697 15.879 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.868 14.597 -0.959 1.00 0.00 H new ATOM 0 HG SER A 2 16.845 16.538 -1.770 1.00 0.00 H new ATOM 19 N SER A 3 14.040 11.984 -2.329 1.00 0.00 N ATOM 20 CA SER A 3 13.389 10.856 -1.674 1.00 0.00 C ATOM 21 C SER A 3 11.887 11.091 -1.553 1.00 0.00 C ATOM 22 O SER A 3 11.297 10.875 -0.495 1.00 0.00 O ATOM 23 CB SER A 3 13.994 10.624 -0.288 1.00 0.00 C ATOM 24 OG SER A 3 15.313 10.114 -0.386 1.00 0.00 O ATOM 0 H SER A 3 14.625 11.729 -3.125 1.00 0.00 H new ATOM 0 HA SER A 3 13.552 9.969 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.003 11.561 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.371 9.926 0.272 1.00 0.00 H new ATOM 0 HG SER A 3 15.678 9.976 0.513 1.00 0.00 H new ATOM 30 N GLY A 4 11.273 11.536 -2.645 1.00 0.00 N ATOM 31 CA GLY A 4 9.845 11.794 -2.641 1.00 0.00 C ATOM 32 C GLY A 4 9.107 10.986 -3.690 1.00 0.00 C ATOM 33 O GLY A 4 8.758 9.828 -3.459 1.00 0.00 O ATOM 0 H GLY A 4 11.739 11.722 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.440 11.562 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.670 12.856 -2.815 1.00 0.00 H new ATOM 37 N SER A 5 8.867 11.597 -4.845 1.00 0.00 N ATOM 38 CA SER A 5 8.161 10.929 -5.932 1.00 0.00 C ATOM 39 C SER A 5 6.853 10.320 -5.436 1.00 0.00 C ATOM 40 O SER A 5 6.507 9.192 -5.789 1.00 0.00 O ATOM 41 CB SER A 5 9.042 9.841 -6.548 1.00 0.00 C ATOM 42 OG SER A 5 10.154 10.405 -7.221 1.00 0.00 O ATOM 0 H SER A 5 9.151 12.554 -5.053 1.00 0.00 H new ATOM 0 HA SER A 5 7.930 11.673 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.390 9.165 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.454 9.245 -7.246 1.00 0.00 H new ATOM 0 HG SER A 5 10.702 9.689 -7.604 1.00 0.00 H new ATOM 48 N SER A 6 6.130 11.074 -4.614 1.00 0.00 N ATOM 49 CA SER A 6 4.862 10.609 -4.065 1.00 0.00 C ATOM 50 C SER A 6 3.696 11.412 -4.634 1.00 0.00 C ATOM 51 O SER A 6 3.881 12.510 -5.157 1.00 0.00 O ATOM 52 CB SER A 6 4.873 10.715 -2.539 1.00 0.00 C ATOM 53 OG SER A 6 4.951 12.067 -2.122 1.00 0.00 O ATOM 0 H SER A 6 6.401 12.010 -4.314 1.00 0.00 H new ATOM 0 HA SER A 6 4.733 9.564 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.971 10.258 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.720 10.158 -2.139 1.00 0.00 H new ATOM 0 HG SER A 6 4.955 12.108 -1.143 1.00 0.00 H new ATOM 59 N GLY A 7 2.494 10.855 -4.526 1.00 0.00 N ATOM 60 CA GLY A 7 1.315 11.532 -5.034 1.00 0.00 C ATOM 61 C GLY A 7 0.062 10.687 -4.910 1.00 0.00 C ATOM 62 O GLY A 7 -0.770 10.924 -4.035 1.00 0.00 O ATOM 0 H GLY A 7 2.315 9.947 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.174 12.467 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.472 11.792 -6.081 1.00 0.00 H new ATOM 66 N SER A 8 -0.073 9.699 -5.789 1.00 0.00 N ATOM 67 CA SER A 8 -1.236 8.819 -5.777 1.00 0.00 C ATOM 68 C SER A 8 -0.918 7.508 -5.065 1.00 0.00 C ATOM 69 O SER A 8 0.205 7.007 -5.134 1.00 0.00 O ATOM 70 CB SER A 8 -1.701 8.536 -7.207 1.00 0.00 C ATOM 71 OG SER A 8 -2.400 9.645 -7.745 1.00 0.00 O ATOM 0 H SER A 8 0.608 9.488 -6.518 1.00 0.00 H new ATOM 0 HA SER A 8 -2.036 9.322 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.840 8.306 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.345 7.657 -7.216 1.00 0.00 H new ATOM 0 HG SER A 8 -2.685 9.440 -8.660 1.00 0.00 H new ATOM 77 N TYR A 9 -1.914 6.958 -4.379 1.00 0.00 N ATOM 78 CA TYR A 9 -1.742 5.707 -3.651 1.00 0.00 C ATOM 79 C TYR A 9 -1.059 4.658 -4.524 1.00 0.00 C ATOM 80 O TYR A 9 0.077 4.261 -4.265 1.00 0.00 O ATOM 81 CB TYR A 9 -3.095 5.183 -3.168 1.00 0.00 C ATOM 82 CG TYR A 9 -3.855 6.169 -2.311 1.00 0.00 C ATOM 83 CD1 TYR A 9 -3.185 7.108 -1.537 1.00 0.00 C ATOM 84 CD2 TYR A 9 -5.244 6.162 -2.275 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.875 8.010 -0.751 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.943 7.062 -1.493 1.00 0.00 C ATOM 87 CZ TYR A 9 -5.254 7.984 -0.733 1.00 0.00 C ATOM 88 OH TYR A 9 -5.946 8.881 0.047 1.00 0.00 O ATOM 0 H TYR A 9 -2.849 7.359 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.107 5.903 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.704 4.922 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.938 4.266 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.105 7.133 -1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.787 5.441 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.338 8.732 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.023 7.043 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.812 9.076 -0.369 1.00 0.00 H new ATOM 98 N TYR A 10 -1.761 4.214 -5.561 1.00 0.00 N ATOM 99 CA TYR A 10 -1.226 3.210 -6.473 1.00 0.00 C ATOM 100 C TYR A 10 0.271 3.413 -6.689 1.00 0.00 C ATOM 101 O TYR A 10 1.032 2.451 -6.782 1.00 0.00 O ATOM 102 CB TYR A 10 -1.959 3.266 -7.814 1.00 0.00 C ATOM 103 CG TYR A 10 -3.438 2.972 -7.708 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.909 1.964 -6.876 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.366 3.704 -8.439 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.260 1.692 -6.777 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.719 3.440 -8.345 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.161 2.433 -7.513 1.00 0.00 C ATOM 109 OH TYR A 10 -7.507 2.166 -7.416 1.00 0.00 O ATOM 0 H TYR A 10 -2.702 4.534 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.380 2.229 -6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.824 4.255 -8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.503 2.550 -8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.207 1.383 -6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.024 4.493 -9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.609 0.903 -6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.426 4.019 -8.920 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.956 2.445 -8.241 1.00 0.00 H new ATOM 119 N ASP A 11 0.684 4.673 -6.768 1.00 0.00 N ATOM 120 CA ASP A 11 2.089 5.006 -6.972 1.00 0.00 C ATOM 121 C ASP A 11 2.894 4.771 -5.697 1.00 0.00 C ATOM 122 O ASP A 11 3.973 4.181 -5.733 1.00 0.00 O ATOM 123 CB ASP A 11 2.231 6.462 -7.419 1.00 0.00 C ATOM 124 CG ASP A 11 2.104 6.621 -8.921 1.00 0.00 C ATOM 125 OD1 ASP A 11 3.138 6.540 -9.616 1.00 0.00 O ATOM 126 OD2 ASP A 11 0.970 6.828 -9.402 1.00 0.00 O ATOM 0 H ASP A 11 0.066 5.481 -6.694 1.00 0.00 H new ATOM 0 HA ASP A 11 2.481 4.355 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.469 7.066 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.199 6.845 -7.096 1.00 0.00 H new ATOM 131 N ILE A 12 2.361 5.239 -4.573 1.00 0.00 N ATOM 132 CA ILE A 12 3.029 5.080 -3.288 1.00 0.00 C ATOM 133 C ILE A 12 3.195 3.606 -2.933 1.00 0.00 C ATOM 134 O ILE A 12 4.200 3.207 -2.343 1.00 0.00 O ATOM 135 CB ILE A 12 2.254 5.784 -2.159 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.070 7.267 -2.485 1.00 0.00 C ATOM 137 CG2 ILE A 12 2.978 5.613 -0.832 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.098 7.972 -1.565 1.00 0.00 C ATOM 0 H ILE A 12 1.469 5.731 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 12 4.012 5.541 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 12 1.269 5.325 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.038 7.766 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.720 7.364 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.417 6.116 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.061 4.552 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.975 6.048 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.017 9.020 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.119 7.499 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.457 7.907 -0.538 1.00 0.00 H new ATOM 150 N LEU A 13 2.204 2.800 -3.298 1.00 0.00 N ATOM 151 CA LEU A 13 2.240 1.368 -3.020 1.00 0.00 C ATOM 152 C LEU A 13 2.948 0.614 -4.141 1.00 0.00 C ATOM 153 O LEU A 13 3.662 -0.357 -3.895 1.00 0.00 O ATOM 154 CB LEU A 13 0.820 0.827 -2.843 1.00 0.00 C ATOM 155 CG LEU A 13 0.084 1.276 -1.580 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.359 0.798 -1.606 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.796 0.762 -0.337 1.00 0.00 C ATOM 0 H LEU A 13 1.366 3.113 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 13 2.798 1.216 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.229 1.124 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.864 -0.262 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 13 0.084 2.366 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.868 1.127 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.865 1.215 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.381 -0.290 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.259 1.091 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.827 -0.327 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.813 1.154 -0.312 1.00 0.00 H new ATOM 169 N GLY A 14 2.745 1.069 -5.374 1.00 0.00 N ATOM 170 CA GLY A 14 3.372 0.427 -6.514 1.00 0.00 C ATOM 171 C GLY A 14 2.481 -0.620 -7.153 1.00 0.00 C ATOM 172 O GLY A 14 2.963 -1.641 -7.643 1.00 0.00 O ATOM 0 H GLY A 14 2.158 1.871 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.629 1.183 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.305 -0.039 -6.197 1.00 0.00 H new ATOM 176 N VAL A 15 1.176 -0.368 -7.146 1.00 0.00 N ATOM 177 CA VAL A 15 0.215 -1.297 -7.728 1.00 0.00 C ATOM 178 C VAL A 15 -0.514 -0.665 -8.908 1.00 0.00 C ATOM 179 O VAL A 15 -0.645 0.555 -9.008 1.00 0.00 O ATOM 180 CB VAL A 15 -0.822 -1.758 -6.686 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.204 -2.766 -5.728 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.382 -0.564 -5.928 1.00 0.00 C ATOM 0 H VAL A 15 0.760 0.472 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 15 0.781 -2.162 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.645 -2.246 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.951 -3.080 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.144 -3.634 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.638 -2.307 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.113 -0.908 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.572 -0.046 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.863 0.118 -6.628 1.00 0.00 H new ATOM 192 N PRO A 16 -1.002 -1.514 -9.825 1.00 0.00 N ATOM 193 CA PRO A 16 -1.728 -1.062 -11.016 1.00 0.00 C ATOM 194 C PRO A 16 -3.099 -0.487 -10.676 1.00 0.00 C ATOM 195 O PRO A 16 -3.637 -0.735 -9.597 1.00 0.00 O ATOM 196 CB PRO A 16 -1.874 -2.338 -11.849 1.00 0.00 C ATOM 197 CG PRO A 16 -1.813 -3.447 -10.856 1.00 0.00 C ATOM 198 CD PRO A 16 -0.883 -2.980 -9.770 1.00 0.00 C ATOM 0 HA PRO A 16 -1.203 -0.258 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.817 -2.348 -12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.076 -2.423 -12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.802 -3.666 -10.455 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.445 -4.364 -11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.176 -3.370 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.141 -3.307 -9.950 1.00 0.00 H new ATOM 206 N LYS A 17 -3.660 0.281 -11.604 1.00 0.00 N ATOM 207 CA LYS A 17 -4.970 0.889 -11.404 1.00 0.00 C ATOM 208 C LYS A 17 -6.046 -0.179 -11.237 1.00 0.00 C ATOM 209 O LYS A 17 -7.102 0.076 -10.657 1.00 0.00 O ATOM 210 CB LYS A 17 -5.318 1.799 -12.584 1.00 0.00 C ATOM 211 CG LYS A 17 -4.226 2.799 -12.924 1.00 0.00 C ATOM 212 CD LYS A 17 -4.013 3.796 -11.797 1.00 0.00 C ATOM 213 CE LYS A 17 -4.900 5.020 -11.961 1.00 0.00 C ATOM 214 NZ LYS A 17 -6.216 4.847 -11.285 1.00 0.00 N ATOM 0 H LYS A 17 -3.228 0.497 -12.502 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.931 1.485 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.520 1.183 -13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.236 2.340 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.295 2.269 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.491 3.332 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.225 3.317 -10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.967 4.103 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.393 5.893 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.059 5.213 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.569 5.773 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.895 4.426 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.104 4.221 -10.462 1.00 0.00 H new ATOM 228 N SER A 18 -5.771 -1.375 -11.747 1.00 0.00 N ATOM 229 CA SER A 18 -6.717 -2.480 -11.657 1.00 0.00 C ATOM 230 C SER A 18 -6.219 -3.544 -10.683 1.00 0.00 C ATOM 231 O SER A 18 -6.679 -4.685 -10.704 1.00 0.00 O ATOM 232 CB SER A 18 -6.942 -3.102 -13.037 1.00 0.00 C ATOM 233 OG SER A 18 -7.931 -2.391 -13.761 1.00 0.00 O ATOM 0 H SER A 18 -4.900 -1.603 -12.227 1.00 0.00 H new ATOM 0 HA SER A 18 -7.663 -2.086 -11.286 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.007 -3.102 -13.597 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.246 -4.143 -12.925 1.00 0.00 H new ATOM 0 HG SER A 18 -8.055 -2.807 -14.640 1.00 0.00 H new ATOM 239 N ALA A 19 -5.274 -3.160 -9.830 1.00 0.00 N ATOM 240 CA ALA A 19 -4.714 -4.078 -8.847 1.00 0.00 C ATOM 241 C ALA A 19 -5.809 -4.693 -7.983 1.00 0.00 C ATOM 242 O ALA A 19 -6.661 -3.985 -7.446 1.00 0.00 O ATOM 243 CB ALA A 19 -3.693 -3.360 -7.976 1.00 0.00 C ATOM 0 H ALA A 19 -4.881 -2.219 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.215 -4.885 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.283 -4.058 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.888 -2.974 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.176 -2.533 -7.456 1.00 0.00 H new ATOM 249 N SER A 20 -5.783 -6.016 -7.855 1.00 0.00 N ATOM 250 CA SER A 20 -6.777 -6.727 -7.060 1.00 0.00 C ATOM 251 C SER A 20 -6.460 -6.620 -5.571 1.00 0.00 C ATOM 252 O SER A 20 -5.296 -6.561 -5.177 1.00 0.00 O ATOM 253 CB SER A 20 -6.835 -8.199 -7.475 1.00 0.00 C ATOM 254 OG SER A 20 -7.540 -8.356 -8.695 1.00 0.00 O ATOM 0 H SER A 20 -5.084 -6.617 -8.292 1.00 0.00 H new ATOM 0 HA SER A 20 -7.748 -6.266 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.823 -8.590 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.321 -8.782 -6.693 1.00 0.00 H new ATOM 0 HG SER A 20 -7.562 -9.305 -8.940 1.00 0.00 H new ATOM 260 N GLU A 21 -7.506 -6.595 -4.750 1.00 0.00 N ATOM 261 CA GLU A 21 -7.339 -6.493 -3.305 1.00 0.00 C ATOM 262 C GLU A 21 -6.098 -7.252 -2.846 1.00 0.00 C ATOM 263 O GLU A 21 -5.265 -6.717 -2.115 1.00 0.00 O ATOM 264 CB GLU A 21 -8.577 -7.036 -2.588 1.00 0.00 C ATOM 265 CG GLU A 21 -8.411 -7.139 -1.081 1.00 0.00 C ATOM 266 CD GLU A 21 -9.534 -7.916 -0.422 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.708 -7.676 -0.773 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.237 -8.765 0.445 1.00 0.00 O ATOM 0 H GLU A 21 -8.476 -6.644 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.213 -5.440 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.427 -6.390 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.815 -8.022 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.460 -7.621 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.369 -6.137 -0.655 1.00 0.00 H new ATOM 275 N ARG A 22 -5.982 -8.503 -3.280 1.00 0.00 N ATOM 276 CA ARG A 22 -4.844 -9.337 -2.912 1.00 0.00 C ATOM 277 C ARG A 22 -3.529 -8.650 -3.267 1.00 0.00 C ATOM 278 O ARG A 22 -2.582 -8.659 -2.482 1.00 0.00 O ATOM 279 CB ARG A 22 -4.930 -10.693 -3.616 1.00 0.00 C ATOM 280 CG ARG A 22 -3.693 -11.557 -3.427 1.00 0.00 C ATOM 281 CD ARG A 22 -3.547 -12.574 -4.547 1.00 0.00 C ATOM 282 NE ARG A 22 -2.925 -11.995 -5.735 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.780 -12.649 -6.882 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.211 -13.898 -6.995 1.00 0.00 N ATOM 285 NH2 ARG A 22 -2.204 -12.054 -7.918 1.00 0.00 N ATOM 0 H ARG A 22 -6.662 -8.961 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.873 -9.492 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.800 -11.232 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.090 -10.530 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.807 -10.923 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.752 -12.075 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.948 -13.415 -4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.529 -12.969 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.583 -11.036 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.655 -14.358 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.099 -14.398 -7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.872 -11.093 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.093 -12.557 -8.798 1.00 0.00 H new ATOM 299 N GLN A 23 -3.480 -8.055 -4.455 1.00 0.00 N ATOM 300 CA GLN A 23 -2.280 -7.365 -4.914 1.00 0.00 C ATOM 301 C GLN A 23 -1.994 -6.140 -4.051 1.00 0.00 C ATOM 302 O GLN A 23 -0.865 -5.932 -3.606 1.00 0.00 O ATOM 303 CB GLN A 23 -2.435 -6.948 -6.377 1.00 0.00 C ATOM 304 CG GLN A 23 -2.165 -8.074 -7.362 1.00 0.00 C ATOM 305 CD GLN A 23 -1.861 -7.567 -8.759 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.550 -6.392 -8.951 1.00 0.00 O ATOM 307 NE2 GLN A 23 -1.949 -8.455 -9.743 1.00 0.00 N ATOM 0 H GLN A 23 -4.256 -8.037 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.439 -8.053 -4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.447 -6.574 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.754 -6.123 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.325 -8.670 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.031 -8.734 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.210 -9.419 -9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.755 -8.173 -10.704 1.00 0.00 H new ATOM 316 N ILE A 24 -3.023 -5.331 -3.821 1.00 0.00 N ATOM 317 CA ILE A 24 -2.882 -4.128 -3.011 1.00 0.00 C ATOM 318 C ILE A 24 -2.224 -4.440 -1.671 1.00 0.00 C ATOM 319 O ILE A 24 -1.152 -3.922 -1.358 1.00 0.00 O ATOM 320 CB ILE A 24 -4.245 -3.457 -2.756 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.769 -2.814 -4.042 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.127 -2.420 -1.649 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.278 -2.711 -4.094 1.00 0.00 C ATOM 0 H ILE A 24 -3.963 -5.487 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.248 -3.443 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.955 -4.220 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.341 -1.816 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.423 -3.395 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.098 -1.955 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.793 -2.904 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.405 -1.657 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.579 -2.246 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.713 -3.708 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.630 -2.105 -3.259 1.00 0.00 H new ATOM 335 N LYS A 25 -2.872 -5.293 -0.885 1.00 0.00 N ATOM 336 CA LYS A 25 -2.349 -5.678 0.421 1.00 0.00 C ATOM 337 C LYS A 25 -1.008 -6.391 0.281 1.00 0.00 C ATOM 338 O LYS A 25 -0.121 -6.237 1.121 1.00 0.00 O ATOM 339 CB LYS A 25 -3.347 -6.584 1.145 1.00 0.00 C ATOM 340 CG LYS A 25 -3.389 -8.001 0.599 1.00 0.00 C ATOM 341 CD LYS A 25 -4.737 -8.657 0.852 1.00 0.00 C ATOM 342 CE LYS A 25 -4.626 -10.173 0.863 1.00 0.00 C ATOM 343 NZ LYS A 25 -5.774 -10.809 1.567 1.00 0.00 N ATOM 0 H LYS A 25 -3.760 -5.731 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.199 -4.771 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.091 -6.619 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.342 -6.146 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.186 -7.985 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.602 -8.594 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.136 -8.314 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.443 -8.349 0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.580 -10.541 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.695 -10.465 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.661 -11.843 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.804 -10.478 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.661 -10.551 1.088 1.00 0.00 H new ATOM 357 N LYS A 26 -0.866 -7.170 -0.786 1.00 0.00 N ATOM 358 CA LYS A 26 0.368 -7.905 -1.038 1.00 0.00 C ATOM 359 C LYS A 26 1.548 -6.951 -1.194 1.00 0.00 C ATOM 360 O LYS A 26 2.619 -7.176 -0.632 1.00 0.00 O ATOM 361 CB LYS A 26 0.226 -8.766 -2.295 1.00 0.00 C ATOM 362 CG LYS A 26 -0.412 -10.120 -2.037 1.00 0.00 C ATOM 363 CD LYS A 26 0.589 -11.106 -1.457 1.00 0.00 C ATOM 364 CE LYS A 26 -0.058 -12.451 -1.167 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.631 -12.506 0.207 1.00 0.00 N ATOM 0 H LYS A 26 -1.591 -7.309 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 26 0.557 -8.552 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.372 -8.226 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.212 -8.916 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.250 -10.004 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.817 -10.516 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.415 -11.241 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.012 -10.699 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.845 -12.640 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.682 -13.243 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.063 -13.439 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.124 -12.351 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.355 -11.767 0.311 1.00 0.00 H new ATOM 379 N ALA A 27 1.343 -5.883 -1.958 1.00 0.00 N ATOM 380 CA ALA A 27 2.388 -4.893 -2.184 1.00 0.00 C ATOM 381 C ALA A 27 2.613 -4.039 -0.941 1.00 0.00 C ATOM 382 O ALA A 27 3.752 -3.767 -0.561 1.00 0.00 O ATOM 383 CB ALA A 27 2.033 -4.013 -3.374 1.00 0.00 C ATOM 0 H ALA A 27 0.462 -5.682 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 27 3.315 -5.423 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.822 -3.278 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.930 -4.631 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.092 -3.499 -3.178 1.00 0.00 H new ATOM 389 N PHE A 28 1.521 -3.618 -0.312 1.00 0.00 N ATOM 390 CA PHE A 28 1.600 -2.794 0.888 1.00 0.00 C ATOM 391 C PHE A 28 2.347 -3.523 2.001 1.00 0.00 C ATOM 392 O PHE A 28 3.370 -3.045 2.494 1.00 0.00 O ATOM 393 CB PHE A 28 0.197 -2.414 1.365 1.00 0.00 C ATOM 394 CG PHE A 28 0.186 -1.684 2.678 1.00 0.00 C ATOM 395 CD1 PHE A 28 0.943 -0.537 2.854 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.580 -2.147 3.736 1.00 0.00 C ATOM 397 CE1 PHE A 28 0.936 0.136 4.061 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.591 -1.477 4.945 1.00 0.00 C ATOM 399 CZ PHE A 28 0.168 -0.335 5.108 1.00 0.00 C ATOM 0 H PHE A 28 0.571 -3.834 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 28 2.150 -1.887 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.279 -1.790 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.404 -3.319 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.545 -0.165 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.174 -3.040 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.530 1.029 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.193 -1.847 5.762 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.161 0.189 6.052 1.00 0.00 H new ATOM 409 N HIS A 29 1.829 -4.683 2.392 1.00 0.00 N ATOM 410 CA HIS A 29 2.447 -5.479 3.447 1.00 0.00 C ATOM 411 C HIS A 29 3.966 -5.476 3.311 1.00 0.00 C ATOM 412 O HIS A 29 4.681 -5.058 4.222 1.00 0.00 O ATOM 413 CB HIS A 29 1.922 -6.914 3.405 1.00 0.00 C ATOM 414 CG HIS A 29 0.669 -7.117 4.200 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.487 -8.179 5.061 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.469 -6.385 4.262 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.709 -8.092 5.617 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.309 -7.012 5.149 1.00 0.00 N ATOM 0 H HIS A 29 0.984 -5.093 1.995 1.00 0.00 H new ATOM 0 HA HIS A 29 2.185 -5.032 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.734 -7.193 2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.694 -7.586 3.781 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.677 -5.477 3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.125 -8.786 6.332 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.244 -6.695 5.405 1.00 0.00 H new ATOM 426 N LYS A 30 4.454 -5.946 2.168 1.00 0.00 N ATOM 427 CA LYS A 30 5.888 -5.998 1.911 1.00 0.00 C ATOM 428 C LYS A 30 6.525 -4.625 2.104 1.00 0.00 C ATOM 429 O LYS A 30 7.561 -4.497 2.759 1.00 0.00 O ATOM 430 CB LYS A 30 6.155 -6.500 0.490 1.00 0.00 C ATOM 431 CG LYS A 30 5.843 -7.974 0.297 1.00 0.00 C ATOM 432 CD LYS A 30 6.149 -8.428 -1.121 1.00 0.00 C ATOM 433 CE LYS A 30 5.189 -7.807 -2.124 1.00 0.00 C ATOM 434 NZ LYS A 30 5.520 -8.196 -3.523 1.00 0.00 N ATOM 0 H LYS A 30 3.876 -6.297 1.404 1.00 0.00 H new ATOM 0 HA LYS A 30 6.335 -6.691 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.558 -5.916 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.202 -6.323 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.426 -8.566 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.792 -8.156 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.173 -8.156 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.084 -9.515 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.170 -8.118 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.220 -6.721 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.843 -7.753 -4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.483 -7.877 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.466 -9.230 -3.618 1.00 0.00 H new ATOM 448 N LEU A 31 5.901 -3.602 1.532 1.00 0.00 N ATOM 449 CA LEU A 31 6.406 -2.238 1.643 1.00 0.00 C ATOM 450 C LEU A 31 6.566 -1.834 3.105 1.00 0.00 C ATOM 451 O LEU A 31 7.672 -1.550 3.564 1.00 0.00 O ATOM 452 CB LEU A 31 5.464 -1.265 0.933 1.00 0.00 C ATOM 453 CG LEU A 31 5.616 -1.171 -0.586 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.487 -0.348 -1.185 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.967 -0.572 -0.950 1.00 0.00 C ATOM 0 H LEU A 31 5.044 -3.691 0.986 1.00 0.00 H new ATOM 0 HA LEU A 31 7.385 -2.199 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.438 -1.555 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.615 -0.271 1.355 1.00 0.00 H new ATOM 0 HG LEU A 31 5.563 -2.178 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.612 -0.292 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.531 -0.819 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.507 0.658 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.058 -0.512 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.049 0.428 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.763 -1.202 -0.553 1.00 0.00 H new ATOM 467 N ALA A 32 5.454 -1.812 3.833 1.00 0.00 N ATOM 468 CA ALA A 32 5.470 -1.447 5.244 1.00 0.00 C ATOM 469 C ALA A 32 6.707 -2.004 5.940 1.00 0.00 C ATOM 470 O ALA A 32 7.301 -1.345 6.793 1.00 0.00 O ATOM 471 CB ALA A 32 4.207 -1.942 5.932 1.00 0.00 C ATOM 0 H ALA A 32 4.530 -2.043 3.468 1.00 0.00 H new ATOM 0 HA ALA A 32 5.505 -0.360 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.233 -1.662 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.334 -1.492 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.147 -3.027 5.846 1.00 0.00 H new ATOM 477 N MET A 33 7.090 -3.223 5.571 1.00 0.00 N ATOM 478 CA MET A 33 8.257 -3.868 6.161 1.00 0.00 C ATOM 479 C MET A 33 9.539 -3.142 5.763 1.00 0.00 C ATOM 480 O MET A 33 10.445 -2.970 6.578 1.00 0.00 O ATOM 481 CB MET A 33 8.331 -5.333 5.727 1.00 0.00 C ATOM 482 CG MET A 33 7.107 -6.145 6.118 1.00 0.00 C ATOM 483 SD MET A 33 6.542 -5.786 7.792 1.00 0.00 S ATOM 484 CE MET A 33 4.766 -5.789 7.557 1.00 0.00 C ATOM 0 H MET A 33 6.609 -3.783 4.867 1.00 0.00 H new ATOM 0 HA MET A 33 8.156 -3.823 7.245 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.456 -5.377 4.645 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.216 -5.790 6.169 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.300 -5.940 5.414 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.339 -7.207 6.037 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.279 -6.129 8.471 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.429 -4.780 7.320 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.509 -6.460 6.737 1.00 0.00 H new ATOM 494 N LYS A 34 9.607 -2.719 4.506 1.00 0.00 N ATOM 495 CA LYS A 34 10.777 -2.011 3.999 1.00 0.00 C ATOM 496 C LYS A 34 10.893 -0.628 4.633 1.00 0.00 C ATOM 497 O LYS A 34 11.994 -0.109 4.815 1.00 0.00 O ATOM 498 CB LYS A 34 10.700 -1.880 2.476 1.00 0.00 C ATOM 499 CG LYS A 34 11.844 -1.083 1.876 1.00 0.00 C ATOM 500 CD LYS A 34 11.434 -0.409 0.577 1.00 0.00 C ATOM 501 CE LYS A 34 11.587 -1.347 -0.610 1.00 0.00 C ATOM 502 NZ LYS A 34 11.295 -0.662 -1.900 1.00 0.00 N ATOM 0 H LYS A 34 8.865 -2.854 3.819 1.00 0.00 H new ATOM 0 HA LYS A 34 11.663 -2.589 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.691 -2.876 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.757 -1.404 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.176 -0.329 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.692 -1.743 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.398 -0.078 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.043 0.481 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.602 -1.743 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.915 -2.197 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.410 -1.335 -2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.318 -0.306 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.952 0.134 -2.027 1.00 0.00 H new ATOM 516 N TYR A 35 9.751 -0.039 4.969 1.00 0.00 N ATOM 517 CA TYR A 35 9.725 1.284 5.583 1.00 0.00 C ATOM 518 C TYR A 35 9.204 1.210 7.015 1.00 0.00 C ATOM 519 O TYR A 35 8.760 2.211 7.579 1.00 0.00 O ATOM 520 CB TYR A 35 8.854 2.234 4.759 1.00 0.00 C ATOM 521 CG TYR A 35 9.443 2.579 3.410 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.375 3.601 3.279 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.066 1.885 2.267 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.916 3.920 2.048 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.602 2.197 1.033 1.00 0.00 C ATOM 526 CZ TYR A 35 10.526 3.216 0.928 1.00 0.00 C ATOM 527 OH TYR A 35 11.061 3.530 -0.300 1.00 0.00 O ATOM 0 H TYR A 35 8.831 -0.456 4.827 1.00 0.00 H new ATOM 0 HA TYR A 35 10.746 1.666 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.874 1.780 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.699 3.153 5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.682 4.155 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.341 1.088 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.640 4.716 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.299 1.646 0.155 1.00 0.00 H new ATOM 0 HH TYR A 35 10.681 2.939 -0.983 1.00 0.00 H new ATOM 537 N HIS A 36 9.262 0.017 7.598 1.00 0.00 N ATOM 538 CA HIS A 36 8.797 -0.189 8.965 1.00 0.00 C ATOM 539 C HIS A 36 9.710 0.519 9.962 1.00 0.00 C ATOM 540 O HIS A 36 10.936 0.476 9.857 1.00 0.00 O ATOM 541 CB HIS A 36 8.735 -1.683 9.285 1.00 0.00 C ATOM 542 CG HIS A 36 7.673 -2.038 10.280 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.854 -1.938 11.643 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.410 -2.494 10.103 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.750 -2.318 12.261 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.859 -2.660 11.349 1.00 0.00 N ATOM 0 H HIS A 36 9.626 -0.821 7.145 1.00 0.00 H new ATOM 0 HA HIS A 36 7.797 0.235 9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.557 -2.237 8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.703 -2.005 9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.927 -2.690 9.157 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.602 -2.344 13.330 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.914 -2.994 11.539 1.00 0.00 H new ATOM 554 N PRO A 37 9.100 1.187 10.952 1.00 0.00 N ATOM 555 CA PRO A 37 9.839 1.917 11.986 1.00 0.00 C ATOM 556 C PRO A 37 10.578 0.984 12.939 1.00 0.00 C ATOM 557 O PRO A 37 11.562 1.375 13.568 1.00 0.00 O ATOM 558 CB PRO A 37 8.743 2.683 12.732 1.00 0.00 C ATOM 559 CG PRO A 37 7.505 1.884 12.509 1.00 0.00 C ATOM 560 CD PRO A 37 7.642 1.280 11.139 1.00 0.00 C ATOM 0 HA PRO A 37 10.611 2.557 11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.973 2.769 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.635 3.697 12.346 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.399 1.109 13.268 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.618 2.514 12.571 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.166 0.301 11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.178 1.905 10.376 1.00 0.00 H new ATOM 568 N ASP A 38 10.099 -0.251 13.040 1.00 0.00 N ATOM 569 CA ASP A 38 10.717 -1.241 13.915 1.00 0.00 C ATOM 570 C ASP A 38 11.941 -1.864 13.252 1.00 0.00 C ATOM 571 O ASP A 38 13.000 -1.986 13.868 1.00 0.00 O ATOM 572 CB ASP A 38 9.707 -2.331 14.279 1.00 0.00 C ATOM 573 CG ASP A 38 10.174 -3.189 15.438 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.210 -2.678 16.577 1.00 0.00 O ATOM 575 OD2 ASP A 38 10.504 -4.371 15.207 1.00 0.00 O ATOM 0 H ASP A 38 9.285 -0.590 12.527 1.00 0.00 H new ATOM 0 HA ASP A 38 11.038 -0.736 14.826 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.754 -1.868 14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.531 -2.964 13.410 1.00 0.00 H new ATOM 580 N LYS A 39 11.789 -2.259 11.993 1.00 0.00 N ATOM 581 CA LYS A 39 12.881 -2.870 11.245 1.00 0.00 C ATOM 582 C LYS A 39 13.853 -1.810 10.738 1.00 0.00 C ATOM 583 O LYS A 39 15.067 -1.948 10.881 1.00 0.00 O ATOM 584 CB LYS A 39 12.330 -3.677 10.067 1.00 0.00 C ATOM 585 CG LYS A 39 11.151 -4.561 10.433 1.00 0.00 C ATOM 586 CD LYS A 39 11.606 -5.932 10.904 1.00 0.00 C ATOM 587 CE LYS A 39 12.071 -6.795 9.742 1.00 0.00 C ATOM 588 NZ LYS A 39 12.329 -8.200 10.162 1.00 0.00 N ATOM 0 H LYS A 39 10.919 -2.167 11.469 1.00 0.00 H new ATOM 0 HA LYS A 39 13.419 -3.539 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.027 -2.990 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.127 -4.299 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.566 -4.082 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.496 -4.671 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.418 -5.820 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.787 -6.430 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.315 -6.784 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.980 -6.371 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.644 -8.755 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.068 -8.214 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.455 -8.614 10.545 1.00 0.00 H new ATOM 602 N ASN A 40 13.311 -0.750 10.146 1.00 0.00 N ATOM 603 CA ASN A 40 14.131 0.334 9.619 1.00 0.00 C ATOM 604 C ASN A 40 14.788 1.119 10.750 1.00 0.00 C ATOM 605 O ASN A 40 15.951 1.510 10.656 1.00 0.00 O ATOM 606 CB ASN A 40 13.282 1.272 8.759 1.00 0.00 C ATOM 607 CG ASN A 40 14.106 2.009 7.720 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.247 2.394 7.976 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.530 2.209 6.541 1.00 0.00 N ATOM 0 H ASN A 40 12.307 -0.619 10.020 1.00 0.00 H new ATOM 0 HA ASN A 40 14.915 -0.105 9.002 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.503 0.697 8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.781 1.996 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.035 2.699 5.803 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.582 1.872 6.373 1.00 0.00 H new ATOM 616 N LYS A 41 14.034 1.345 11.821 1.00 0.00 N ATOM 617 CA LYS A 41 14.542 2.081 12.973 1.00 0.00 C ATOM 618 C LYS A 41 15.179 3.397 12.540 1.00 0.00 C ATOM 619 O LYS A 41 16.297 3.719 12.943 1.00 0.00 O ATOM 620 CB LYS A 41 15.562 1.234 13.736 1.00 0.00 C ATOM 621 CG LYS A 41 15.018 -0.107 14.196 1.00 0.00 C ATOM 622 CD LYS A 41 15.936 -0.762 15.214 1.00 0.00 C ATOM 623 CE LYS A 41 17.206 -1.286 14.563 1.00 0.00 C ATOM 624 NZ LYS A 41 17.040 -2.680 14.065 1.00 0.00 N ATOM 0 H LYS A 41 13.069 1.029 11.915 1.00 0.00 H new ATOM 0 HA LYS A 41 13.701 2.304 13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.430 1.065 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.908 1.793 14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.029 0.031 14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.898 -0.766 13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.194 -0.041 15.990 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.412 -1.583 15.704 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.484 -0.635 13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 41 18.024 -1.253 15.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.928 -3.001 13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.799 -3.306 14.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.277 -2.708 13.359 1.00 0.00 H new ATOM 638 N SER A 42 14.461 4.156 11.717 1.00 0.00 N ATOM 639 CA SER A 42 14.958 5.436 11.228 1.00 0.00 C ATOM 640 C SER A 42 13.870 6.503 11.295 1.00 0.00 C ATOM 641 O SER A 42 12.676 6.215 11.211 1.00 0.00 O ATOM 642 CB SER A 42 15.463 5.295 9.790 1.00 0.00 C ATOM 643 OG SER A 42 15.370 6.526 9.094 1.00 0.00 O ATOM 0 H SER A 42 13.533 3.906 11.375 1.00 0.00 H new ATOM 0 HA SER A 42 15.785 5.745 11.867 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.498 4.955 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.881 4.534 9.270 1.00 0.00 H new ATOM 0 HG SER A 42 15.700 6.410 8.179 1.00 0.00 H new ATOM 649 N PRO A 43 14.291 7.767 11.449 1.00 0.00 N ATOM 650 CA PRO A 43 13.369 8.904 11.530 1.00 0.00 C ATOM 651 C PRO A 43 12.684 9.191 10.198 1.00 0.00 C ATOM 652 O PRO A 43 11.474 9.415 10.147 1.00 0.00 O ATOM 653 CB PRO A 43 14.278 10.070 11.926 1.00 0.00 C ATOM 654 CG PRO A 43 15.629 9.682 11.434 1.00 0.00 C ATOM 655 CD PRO A 43 15.699 8.184 11.556 1.00 0.00 C ATOM 0 HA PRO A 43 12.557 8.721 12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.945 11.003 11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.279 10.222 13.005 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.773 9.997 10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.411 10.159 12.025 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.309 7.745 10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.138 7.878 12.506 1.00 0.00 H new ATOM 663 N ASP A 44 13.464 9.183 9.123 1.00 0.00 N ATOM 664 CA ASP A 44 12.932 9.441 7.790 1.00 0.00 C ATOM 665 C ASP A 44 12.007 8.311 7.347 1.00 0.00 C ATOM 666 O ASP A 44 10.990 8.548 6.695 1.00 0.00 O ATOM 667 CB ASP A 44 14.073 9.607 6.786 1.00 0.00 C ATOM 668 CG ASP A 44 15.325 10.178 7.421 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.326 11.383 7.753 1.00 0.00 O ATOM 670 OD2 ASP A 44 16.304 9.421 7.587 1.00 0.00 O ATOM 0 H ASP A 44 14.467 9.001 9.148 1.00 0.00 H new ATOM 0 HA ASP A 44 12.355 10.365 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.304 8.640 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.749 10.262 5.977 1.00 0.00 H new ATOM 675 N ALA A 45 12.368 7.083 7.703 1.00 0.00 N ATOM 676 CA ALA A 45 11.571 5.917 7.342 1.00 0.00 C ATOM 677 C ALA A 45 10.148 6.038 7.878 1.00 0.00 C ATOM 678 O ALA A 45 9.181 5.822 7.149 1.00 0.00 O ATOM 679 CB ALA A 45 12.227 4.647 7.863 1.00 0.00 C ATOM 0 H ALA A 45 13.208 6.870 8.241 1.00 0.00 H new ATOM 0 HA ALA A 45 11.519 5.866 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.621 3.784 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.221 4.546 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.309 4.699 8.949 1.00 0.00 H new ATOM 685 N GLU A 46 10.029 6.384 9.156 1.00 0.00 N ATOM 686 CA GLU A 46 8.724 6.532 9.788 1.00 0.00 C ATOM 687 C GLU A 46 7.789 7.367 8.918 1.00 0.00 C ATOM 688 O GLU A 46 6.632 7.006 8.706 1.00 0.00 O ATOM 689 CB GLU A 46 8.870 7.180 11.166 1.00 0.00 C ATOM 690 CG GLU A 46 7.722 6.867 12.111 1.00 0.00 C ATOM 691 CD GLU A 46 8.132 6.936 13.570 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.718 5.952 14.068 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.866 7.972 14.213 1.00 0.00 O ATOM 0 H GLU A 46 10.820 6.567 9.773 1.00 0.00 H new ATOM 0 HA GLU A 46 8.292 5.538 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.803 6.845 11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.945 8.261 11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.908 7.569 11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.337 5.871 11.892 1.00 0.00 H new ATOM 700 N ALA A 47 8.300 8.487 8.417 1.00 0.00 N ATOM 701 CA ALA A 47 7.513 9.374 7.569 1.00 0.00 C ATOM 702 C ALA A 47 7.008 8.643 6.329 1.00 0.00 C ATOM 703 O ALA A 47 5.813 8.648 6.036 1.00 0.00 O ATOM 704 CB ALA A 47 8.335 10.589 7.169 1.00 0.00 C ATOM 0 H ALA A 47 9.256 8.802 8.584 1.00 0.00 H new ATOM 0 HA ALA A 47 6.647 9.708 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.734 11.242 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.641 11.132 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.220 10.265 6.620 1.00 0.00 H new ATOM 710 N LYS A 48 7.927 8.014 5.604 1.00 0.00 N ATOM 711 CA LYS A 48 7.577 7.277 4.396 1.00 0.00 C ATOM 712 C LYS A 48 6.396 6.346 4.649 1.00 0.00 C ATOM 713 O LYS A 48 5.399 6.380 3.928 1.00 0.00 O ATOM 714 CB LYS A 48 8.779 6.471 3.899 1.00 0.00 C ATOM 715 CG LYS A 48 9.834 7.316 3.205 1.00 0.00 C ATOM 716 CD LYS A 48 9.348 7.818 1.856 1.00 0.00 C ATOM 717 CE LYS A 48 9.676 6.833 0.744 1.00 0.00 C ATOM 718 NZ LYS A 48 11.097 6.941 0.309 1.00 0.00 N ATOM 0 H LYS A 48 8.921 8.000 5.833 1.00 0.00 H new ATOM 0 HA LYS A 48 7.290 7.998 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.236 5.957 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.430 5.702 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.095 8.165 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.742 6.728 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.271 7.981 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.808 8.782 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.477 5.818 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.021 7.015 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.133 7.173 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.571 7.690 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.580 6.035 0.474 1.00 0.00 H new ATOM 732 N PHE A 49 6.514 5.515 5.680 1.00 0.00 N ATOM 733 CA PHE A 49 5.456 4.575 6.030 1.00 0.00 C ATOM 734 C PHE A 49 4.119 5.294 6.185 1.00 0.00 C ATOM 735 O PHE A 49 3.067 4.752 5.845 1.00 0.00 O ATOM 736 CB PHE A 49 5.806 3.839 7.325 1.00 0.00 C ATOM 737 CG PHE A 49 4.681 3.000 7.860 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.028 2.091 7.043 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.277 3.119 9.180 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.992 1.318 7.533 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.242 2.349 9.675 1.00 0.00 C ATOM 742 CZ PHE A 49 2.599 1.446 8.851 1.00 0.00 C ATOM 0 H PHE A 49 7.332 5.474 6.288 1.00 0.00 H new ATOM 0 HA PHE A 49 5.367 3.850 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.672 3.201 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.096 4.568 8.081 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.332 1.985 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.777 3.822 9.830 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.490 0.614 6.886 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.936 2.453 10.705 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.791 0.842 9.236 1.00 0.00 H new ATOM 752 N ARG A 50 4.169 6.517 6.702 1.00 0.00 N ATOM 753 CA ARG A 50 2.962 7.310 6.905 1.00 0.00 C ATOM 754 C ARG A 50 2.210 7.501 5.591 1.00 0.00 C ATOM 755 O ARG A 50 1.006 7.754 5.586 1.00 0.00 O ATOM 756 CB ARG A 50 3.316 8.672 7.505 1.00 0.00 C ATOM 757 CG ARG A 50 2.209 9.267 8.360 1.00 0.00 C ATOM 758 CD ARG A 50 2.151 8.613 9.731 1.00 0.00 C ATOM 759 NE ARG A 50 1.632 9.523 10.750 1.00 0.00 N ATOM 760 CZ ARG A 50 1.350 9.150 11.993 1.00 0.00 C ATOM 761 NH1 ARG A 50 1.537 7.892 12.370 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.882 10.035 12.863 1.00 0.00 N ATOM 0 H ARG A 50 5.032 6.980 6.988 1.00 0.00 H new ATOM 0 HA ARG A 50 2.316 6.772 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.216 8.570 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.552 9.365 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.372 10.339 8.474 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.251 9.142 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.521 7.725 9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.149 8.280 10.016 1.00 0.00 H new ATOM 0 HE ARG A 50 1.478 10.498 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.898 7.209 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.320 7.608 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.738 11.004 12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.666 9.747 13.817 1.00 0.00 H new ATOM 776 N GLU A 51 2.930 7.379 4.480 1.00 0.00 N ATOM 777 CA GLU A 51 2.330 7.540 3.161 1.00 0.00 C ATOM 778 C GLU A 51 1.930 6.188 2.576 1.00 0.00 C ATOM 779 O GLU A 51 1.057 6.108 1.711 1.00 0.00 O ATOM 780 CB GLU A 51 3.303 8.248 2.216 1.00 0.00 C ATOM 781 CG GLU A 51 3.169 9.762 2.227 1.00 0.00 C ATOM 782 CD GLU A 51 1.930 10.243 1.499 1.00 0.00 C ATOM 783 OE1 GLU A 51 0.845 10.259 2.118 1.00 0.00 O ATOM 784 OE2 GLU A 51 2.044 10.604 0.309 1.00 0.00 O ATOM 0 H GLU A 51 3.928 7.169 4.467 1.00 0.00 H new ATOM 0 HA GLU A 51 1.433 8.149 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.323 7.980 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.140 7.885 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.139 10.113 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.052 10.204 1.765 1.00 0.00 H new ATOM 791 N ILE A 52 2.574 5.130 3.055 1.00 0.00 N ATOM 792 CA ILE A 52 2.285 3.782 2.581 1.00 0.00 C ATOM 793 C ILE A 52 0.965 3.270 3.148 1.00 0.00 C ATOM 794 O ILE A 52 0.119 2.760 2.415 1.00 0.00 O ATOM 795 CB ILE A 52 3.409 2.799 2.960 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.778 3.439 2.720 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.275 1.509 2.164 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.938 2.517 3.026 1.00 0.00 C ATOM 0 H ILE A 52 3.299 5.180 3.771 1.00 0.00 H new ATOM 0 HA ILE A 52 2.213 3.839 1.495 1.00 0.00 H new ATOM 0 HB ILE A 52 3.321 2.560 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.843 3.759 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.864 4.335 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.076 0.825 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.312 1.047 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.341 1.730 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.877 3.037 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.898 2.217 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.876 1.632 2.392 1.00 0.00 H new ATOM 810 N ALA A 53 0.796 3.412 4.459 1.00 0.00 N ATOM 811 CA ALA A 53 -0.422 2.968 5.125 1.00 0.00 C ATOM 812 C ALA A 53 -1.646 3.683 4.563 1.00 0.00 C ATOM 813 O ALA A 53 -2.507 3.062 3.940 1.00 0.00 O ATOM 814 CB ALA A 53 -0.317 3.197 6.625 1.00 0.00 C ATOM 0 H ALA A 53 1.488 3.831 5.081 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.540 1.900 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.234 2.861 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.529 2.635 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.171 4.259 6.822 1.00 0.00 H new ATOM 820 N GLU A 54 -1.717 4.991 4.789 1.00 0.00 N ATOM 821 CA GLU A 54 -2.838 5.789 4.306 1.00 0.00 C ATOM 822 C GLU A 54 -3.262 5.343 2.910 1.00 0.00 C ATOM 823 O GLU A 54 -4.452 5.244 2.613 1.00 0.00 O ATOM 824 CB GLU A 54 -2.465 7.273 4.287 1.00 0.00 C ATOM 825 CG GLU A 54 -3.600 8.180 3.840 1.00 0.00 C ATOM 826 CD GLU A 54 -4.734 8.234 4.844 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.628 9.011 5.817 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.728 7.501 4.659 1.00 0.00 O ATOM 0 H GLU A 54 -1.012 5.520 5.303 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.676 5.640 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.144 7.571 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.613 7.416 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.214 9.187 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.984 7.829 2.882 1.00 0.00 H new ATOM 835 N ALA A 55 -2.279 5.075 2.056 1.00 0.00 N ATOM 836 CA ALA A 55 -2.550 4.637 0.692 1.00 0.00 C ATOM 837 C ALA A 55 -3.331 3.328 0.681 1.00 0.00 C ATOM 838 O ALA A 55 -4.357 3.212 0.010 1.00 0.00 O ATOM 839 CB ALA A 55 -1.248 4.485 -0.081 1.00 0.00 C ATOM 0 H ALA A 55 -1.288 5.154 2.285 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.161 5.398 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.465 4.157 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.729 5.443 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.617 3.746 0.412 1.00 0.00 H new ATOM 845 N TYR A 56 -2.838 2.344 1.425 1.00 0.00 N ATOM 846 CA TYR A 56 -3.488 1.041 1.497 1.00 0.00 C ATOM 847 C TYR A 56 -4.866 1.155 2.142 1.00 0.00 C ATOM 848 O TYR A 56 -5.867 0.722 1.573 1.00 0.00 O ATOM 849 CB TYR A 56 -2.622 0.059 2.288 1.00 0.00 C ATOM 850 CG TYR A 56 -3.302 -1.264 2.560 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.418 -2.226 1.563 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.829 -1.553 3.812 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.039 -3.436 1.806 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.450 -2.761 4.065 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.553 -3.699 3.059 1.00 0.00 C ATOM 856 OH TYR A 56 -5.172 -4.902 3.307 1.00 0.00 O ATOM 0 H TYR A 56 -1.990 2.424 1.987 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.612 0.668 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.699 -0.123 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.343 0.517 3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.016 -2.024 0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.752 -0.820 4.602 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.122 -4.172 1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.853 -2.970 5.045 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.476 -4.927 4.238 1.00 0.00 H new ATOM 866 N GLU A 57 -4.908 1.742 3.335 1.00 0.00 N ATOM 867 CA GLU A 57 -6.162 1.913 4.058 1.00 0.00 C ATOM 868 C GLU A 57 -7.300 2.254 3.100 1.00 0.00 C ATOM 869 O GLU A 57 -8.398 1.704 3.200 1.00 0.00 O ATOM 870 CB GLU A 57 -6.022 3.012 5.113 1.00 0.00 C ATOM 871 CG GLU A 57 -5.112 2.634 6.269 1.00 0.00 C ATOM 872 CD GLU A 57 -5.629 1.444 7.054 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.862 1.254 7.098 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.801 0.702 7.623 1.00 0.00 O ATOM 0 H GLU A 57 -4.088 2.107 3.820 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.397 0.971 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.636 3.913 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.010 3.256 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.118 2.406 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.007 3.488 6.938 1.00 0.00 H new ATOM 881 N THR A 58 -7.031 3.166 2.171 1.00 0.00 N ATOM 882 CA THR A 58 -8.031 3.583 1.197 1.00 0.00 C ATOM 883 C THR A 58 -8.276 2.493 0.160 1.00 0.00 C ATOM 884 O THR A 58 -9.417 2.232 -0.225 1.00 0.00 O ATOM 885 CB THR A 58 -7.608 4.876 0.475 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.343 5.907 1.433 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.691 5.338 -0.488 1.00 0.00 C ATOM 0 H THR A 58 -6.128 3.630 2.073 1.00 0.00 H new ATOM 0 HA THR A 58 -8.952 3.769 1.750 1.00 0.00 H new ATOM 0 HB THR A 58 -6.703 4.668 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.463 5.759 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.369 6.253 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.870 4.563 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.611 5.530 0.064 1.00 0.00 H new ATOM 895 N LEU A 59 -7.199 1.858 -0.289 1.00 0.00 N ATOM 896 CA LEU A 59 -7.297 0.794 -1.282 1.00 0.00 C ATOM 897 C LEU A 59 -7.639 -0.538 -0.622 1.00 0.00 C ATOM 898 O LEU A 59 -7.763 -1.562 -1.294 1.00 0.00 O ATOM 899 CB LEU A 59 -5.984 0.670 -2.057 1.00 0.00 C ATOM 900 CG LEU A 59 -5.508 1.931 -2.778 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.140 1.705 -3.403 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.517 2.353 -3.837 1.00 0.00 C ATOM 0 H LEU A 59 -6.248 2.061 0.019 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.098 1.051 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.204 0.356 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.094 -0.126 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.422 2.734 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.818 2.614 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.421 1.451 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.199 0.888 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.162 3.252 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.635 1.552 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.477 2.557 -3.364 1.00 0.00 H new ATOM 914 N SER A 60 -7.791 -0.516 0.698 1.00 0.00 N ATOM 915 CA SER A 60 -8.118 -1.722 1.451 1.00 0.00 C ATOM 916 C SER A 60 -9.629 -1.900 1.563 1.00 0.00 C ATOM 917 O SER A 60 -10.159 -2.979 1.299 1.00 0.00 O ATOM 918 CB SER A 60 -7.495 -1.662 2.847 1.00 0.00 C ATOM 919 OG SER A 60 -8.208 -0.770 3.686 1.00 0.00 O ATOM 0 H SER A 60 -7.693 0.324 1.269 1.00 0.00 H new ATOM 0 HA SER A 60 -7.708 -2.578 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.491 -2.658 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.456 -1.343 2.771 1.00 0.00 H new ATOM 0 HG SER A 60 -8.362 0.073 3.211 1.00 0.00 H new ATOM 925 N ASP A 61 -10.316 -0.833 1.957 1.00 0.00 N ATOM 926 CA ASP A 61 -11.766 -0.870 2.104 1.00 0.00 C ATOM 927 C ASP A 61 -12.452 -0.791 0.743 1.00 0.00 C ATOM 928 O ASP A 61 -11.868 -0.318 -0.231 1.00 0.00 O ATOM 929 CB ASP A 61 -12.239 0.281 2.994 1.00 0.00 C ATOM 930 CG ASP A 61 -12.292 -0.106 4.459 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.236 -0.061 5.124 1.00 0.00 O ATOM 932 OD2 ASP A 61 -13.391 -0.452 4.941 1.00 0.00 O ATOM 0 H ASP A 61 -9.892 0.068 2.180 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.035 -1.816 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.569 1.132 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.228 0.604 2.670 1.00 0.00 H new ATOM 937 N ALA A 62 -13.695 -1.260 0.685 1.00 0.00 N ATOM 938 CA ALA A 62 -14.460 -1.242 -0.555 1.00 0.00 C ATOM 939 C ALA A 62 -14.805 0.185 -0.967 1.00 0.00 C ATOM 940 O ALA A 62 -14.272 0.704 -1.946 1.00 0.00 O ATOM 941 CB ALA A 62 -15.728 -2.071 -0.405 1.00 0.00 C ATOM 0 H ALA A 62 -14.193 -1.657 1.482 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.843 -1.680 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.290 -2.049 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.463 -3.101 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.340 -1.658 0.397 1.00 0.00 H new ATOM 947 N ASN A 63 -15.701 0.814 -0.213 1.00 0.00 N ATOM 948 CA ASN A 63 -16.118 2.181 -0.501 1.00 0.00 C ATOM 949 C ASN A 63 -14.907 3.096 -0.666 1.00 0.00 C ATOM 950 O ASN A 63 -14.813 3.848 -1.636 1.00 0.00 O ATOM 951 CB ASN A 63 -17.020 2.708 0.617 1.00 0.00 C ATOM 952 CG ASN A 63 -17.960 3.797 0.137 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.668 4.986 0.264 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.097 3.393 -0.419 1.00 0.00 N ATOM 0 H ASN A 63 -16.152 0.398 0.602 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.677 2.174 -1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -17.603 1.884 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.402 3.096 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -19.769 4.079 -0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.297 2.396 -0.504 1.00 0.00 H new ATOM 961 N ARG A 64 -13.984 3.023 0.286 1.00 0.00 N ATOM 962 CA ARG A 64 -12.779 3.844 0.247 1.00 0.00 C ATOM 963 C ARG A 64 -12.072 3.708 -1.098 1.00 0.00 C ATOM 964 O ARG A 64 -11.796 4.702 -1.770 1.00 0.00 O ATOM 965 CB ARG A 64 -11.829 3.448 1.378 1.00 0.00 C ATOM 966 CG ARG A 64 -12.341 3.814 2.761 1.00 0.00 C ATOM 967 CD ARG A 64 -11.255 3.665 3.815 1.00 0.00 C ATOM 968 NE ARG A 64 -11.481 4.541 4.962 1.00 0.00 N ATOM 969 CZ ARG A 64 -10.765 4.488 6.079 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.783 3.606 6.200 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.031 5.319 7.079 1.00 0.00 N ATOM 0 H ARG A 64 -14.047 2.404 1.094 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.074 4.885 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.657 2.372 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.865 3.931 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.705 4.841 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.188 3.177 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.217 2.629 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.286 3.892 3.371 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.230 5.231 4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.575 2.965 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.235 3.568 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.786 5.999 6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.481 5.278 7.937 1.00 0.00 H new ATOM 985 N ARG A 65 -11.781 2.470 -1.485 1.00 0.00 N ATOM 986 CA ARG A 65 -11.104 2.203 -2.748 1.00 0.00 C ATOM 987 C ARG A 65 -12.023 2.498 -3.930 1.00 0.00 C ATOM 988 O ARG A 65 -11.561 2.803 -5.030 1.00 0.00 O ATOM 989 CB ARG A 65 -10.637 0.748 -2.804 1.00 0.00 C ATOM 990 CG ARG A 65 -9.832 0.413 -4.049 1.00 0.00 C ATOM 991 CD ARG A 65 -10.725 -0.102 -5.167 1.00 0.00 C ATOM 992 NE ARG A 65 -9.981 -0.900 -6.138 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.557 -1.713 -7.017 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.876 -1.834 -7.046 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.812 -2.406 -7.868 1.00 0.00 N ATOM 0 H ARG A 65 -12.004 1.636 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.236 2.859 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.032 0.536 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.508 0.094 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.298 1.301 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.080 -0.338 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.528 -0.704 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.194 0.741 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.963 -0.829 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.451 -1.302 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.316 -2.459 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.796 -2.315 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.255 -3.030 -8.543 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.328 2.406 -3.696 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.313 2.664 -4.739 1.00 0.00 C ATOM 1011 C LYS A 66 -14.383 4.152 -5.067 1.00 0.00 C ATOM 1012 O LYS A 66 -14.538 4.534 -6.226 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.692 2.162 -4.303 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.649 1.931 -5.459 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.948 1.298 -4.990 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.954 2.351 -4.550 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.388 3.211 -5.686 1.00 0.00 N ATOM 0 H LYS A 66 -13.728 2.154 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.004 2.127 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.572 1.230 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.132 2.885 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.863 2.880 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.176 1.287 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.374 0.700 -5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.745 0.619 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.824 1.862 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.512 2.973 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.336 3.592 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.716 3.996 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.415 2.646 -6.559 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.266 4.986 -4.038 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.315 6.432 -4.218 1.00 0.00 C ATOM 1033 C GLU A 67 -12.992 6.957 -4.766 1.00 0.00 C ATOM 1034 O GLU A 67 -12.970 7.813 -5.652 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.641 7.122 -2.892 1.00 0.00 C ATOM 1036 CG GLU A 67 -15.958 6.676 -2.280 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.620 7.767 -1.461 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.934 8.372 -0.612 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.826 8.015 -1.670 1.00 0.00 O ATOM 0 H GLU A 67 -14.137 4.685 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.101 6.657 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.836 6.926 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.671 8.200 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.635 6.361 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.784 5.806 -1.646 1.00 0.00 H new ATOM 1046 N TYR A 68 -11.891 6.439 -4.234 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.563 6.857 -4.667 1.00 0.00 C ATOM 1048 C TYR A 68 -10.364 6.584 -6.155 1.00 0.00 C ATOM 1049 O TYR A 68 -9.566 7.247 -6.818 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.487 6.133 -3.856 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.092 6.297 -4.417 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.471 7.539 -4.433 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.397 5.210 -4.931 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.197 7.694 -4.945 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.122 5.355 -5.444 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.527 6.599 -5.449 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.258 6.748 -5.960 1.00 0.00 O ATOM 0 H TYR A 68 -11.892 5.729 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.475 7.930 -4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.504 6.506 -2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.730 5.071 -3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.993 8.398 -4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.861 4.235 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.729 8.667 -4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.595 4.499 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.211 6.330 -6.845 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.095 5.604 -6.672 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.002 5.243 -8.082 1.00 0.00 C ATOM 1069 C ASP A 69 -12.024 6.016 -8.910 1.00 0.00 C ATOM 1070 O ASP A 69 -11.696 6.577 -9.956 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.215 3.739 -8.260 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.508 3.195 -9.486 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -11.061 3.329 -10.598 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.402 2.634 -9.334 1.00 0.00 O ATOM 0 H ASP A 69 -11.759 5.045 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.004 5.505 -8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.854 3.217 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.282 3.533 -8.338 1.00 0.00 H new ATOM 1079 N THR A 70 -13.266 6.040 -8.436 1.00 0.00 N ATOM 1080 CA THR A 70 -14.336 6.742 -9.132 1.00 0.00 C ATOM 1081 C THR A 70 -14.115 8.250 -9.103 1.00 0.00 C ATOM 1082 O THR A 70 -14.602 8.976 -9.971 1.00 0.00 O ATOM 1083 CB THR A 70 -15.711 6.424 -8.515 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.743 6.623 -9.488 1.00 0.00 O ATOM 1085 CG2 THR A 70 -15.976 7.301 -7.301 1.00 0.00 C ATOM 0 H THR A 70 -13.555 5.581 -7.572 1.00 0.00 H new ATOM 0 HA THR A 70 -14.321 6.396 -10.165 1.00 0.00 H new ATOM 0 HB THR A 70 -15.709 5.382 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.614 6.417 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.953 7.058 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.206 7.125 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.960 8.349 -7.599 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.378 8.716 -8.101 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.092 10.139 -7.959 1.00 0.00 C ATOM 1095 C LEU A 71 -11.644 10.443 -8.329 1.00 0.00 C ATOM 1096 O LEU A 71 -11.369 11.351 -9.111 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.370 10.595 -6.526 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.802 10.399 -6.025 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.877 10.619 -4.522 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.754 11.337 -6.752 1.00 0.00 C ATOM 0 H LEU A 71 -12.968 8.129 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.744 10.685 -8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.696 10.059 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.121 11.653 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.103 9.373 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.903 10.475 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.225 9.906 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.556 11.634 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.768 11.184 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.455 12.370 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.722 11.130 -7.822 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.719 9.673 -7.761 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.310 9.874 -8.045 1.00 0.00 C ATOM 1114 C GLY A 72 -8.509 10.201 -6.801 1.00 0.00 C ATOM 1115 O GLY A 72 -8.748 9.635 -5.733 1.00 0.00 O ATOM 0 H GLY A 72 -10.921 8.914 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.904 8.975 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.200 10.683 -8.767 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.554 11.115 -6.937 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.713 11.515 -5.814 1.00 0.00 C ATOM 1121 C HIS A 73 -6.960 12.975 -5.444 1.00 0.00 C ATOM 1122 O HIS A 73 -7.231 13.294 -4.286 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.237 11.306 -6.155 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.312 11.602 -5.015 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.295 10.866 -3.849 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.367 12.560 -4.868 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.380 11.359 -3.033 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.802 12.387 -3.628 1.00 0.00 N ATOM 0 H HIS A 73 -7.343 11.593 -7.813 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.972 10.892 -4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.089 10.274 -6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.974 11.942 -7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.106 13.319 -5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.145 10.985 -2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.057 12.959 -3.231 1.00 0.00 H new ATOM 1136 N SER A 74 -6.865 13.856 -6.434 1.00 0.00 N ATOM 1137 CA SER A 74 -7.073 15.282 -6.211 1.00 0.00 C ATOM 1138 C SER A 74 -8.496 15.554 -5.731 1.00 0.00 C ATOM 1139 O SER A 74 -8.724 16.430 -4.897 1.00 0.00 O ATOM 1140 CB SER A 74 -6.797 16.066 -7.496 1.00 0.00 C ATOM 1141 OG SER A 74 -6.733 17.458 -7.239 1.00 0.00 O ATOM 0 H SER A 74 -6.645 13.608 -7.399 1.00 0.00 H new ATOM 0 HA SER A 74 -6.378 15.610 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.858 15.730 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.581 15.863 -8.225 1.00 0.00 H new ATOM 0 HG SER A 74 -6.554 17.937 -8.075 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.449 14.797 -6.265 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.848 14.955 -5.890 1.00 0.00 C ATOM 1149 C ALA A 75 -11.162 14.196 -4.605 1.00 0.00 C ATOM 1150 O ALA A 75 -11.520 14.794 -3.590 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.753 14.481 -7.018 1.00 0.00 C ATOM 0 H ALA A 75 -9.277 14.069 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.032 16.014 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.795 14.605 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.556 15.069 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.557 13.429 -7.224 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.025 12.875 -4.655 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.295 12.034 -3.495 1.00 0.00 C ATOM 1159 C PHE A 76 -10.734 12.664 -2.223 1.00 0.00 C ATOM 1160 O PHE A 76 -11.437 12.801 -1.221 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.692 10.642 -3.696 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.736 9.786 -2.463 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -11.929 9.225 -2.035 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -9.585 9.541 -1.731 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -11.973 8.438 -0.900 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -9.622 8.754 -0.596 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.818 8.200 -0.180 1.00 0.00 C ATOM 0 H PHE A 76 -10.729 12.364 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.376 11.943 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.227 10.136 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.656 10.747 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.835 9.405 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.647 9.971 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.910 8.009 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.718 8.572 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.850 7.583 0.706 1.00 0.00 H new ATOM 1177 N THR A 77 -9.462 13.048 -2.272 1.00 0.00 N ATOM 1178 CA THR A 77 -8.805 13.662 -1.125 1.00 0.00 C ATOM 1179 C THR A 77 -8.247 15.035 -1.481 1.00 0.00 C ATOM 1180 O THR A 77 -7.051 15.184 -1.732 1.00 0.00 O ATOM 1181 CB THR A 77 -7.661 12.778 -0.593 1.00 0.00 C ATOM 1182 OG1 THR A 77 -6.745 13.570 0.171 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.922 12.102 -1.738 1.00 0.00 C ATOM 0 H THR A 77 -8.867 12.945 -3.094 1.00 0.00 H new ATOM 0 HA THR A 77 -9.562 13.771 -0.348 1.00 0.00 H new ATOM 0 HB THR A 77 -8.094 12.007 0.045 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.293 14.208 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.119 11.483 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.616 11.477 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.501 12.861 -2.398 1.00 0.00 H new ATOM 1191 N SER A 78 -9.121 16.037 -1.502 1.00 0.00 N ATOM 1192 CA SER A 78 -8.716 17.398 -1.831 1.00 0.00 C ATOM 1193 C SER A 78 -8.236 18.138 -0.586 1.00 0.00 C ATOM 1194 O SER A 78 -8.951 18.227 0.411 1.00 0.00 O ATOM 1195 CB SER A 78 -9.879 18.158 -2.473 1.00 0.00 C ATOM 1196 OG SER A 78 -9.530 19.509 -2.721 1.00 0.00 O ATOM 0 H SER A 78 -10.114 15.931 -1.295 1.00 0.00 H new ATOM 0 HA SER A 78 -7.891 17.343 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.161 17.674 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.749 18.118 -1.818 1.00 0.00 H new ATOM 0 HG SER A 78 -10.289 19.973 -3.133 1.00 0.00 H new ATOM 1202 N GLY A 79 -7.018 18.668 -0.653 1.00 0.00 N ATOM 1203 CA GLY A 79 -6.462 19.393 0.475 1.00 0.00 C ATOM 1204 C GLY A 79 -5.727 18.486 1.441 1.00 0.00 C ATOM 1205 O GLY A 79 -5.879 18.608 2.657 1.00 0.00 O ATOM 0 H GLY A 79 -6.407 18.608 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.779 20.159 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.264 19.908 1.004 1.00 0.00 H new ATOM 1209 N LYS A 80 -4.927 17.573 0.901 1.00 0.00 N ATOM 1210 CA LYS A 80 -4.165 16.641 1.723 1.00 0.00 C ATOM 1211 C LYS A 80 -2.804 16.351 1.098 1.00 0.00 C ATOM 1212 O LYS A 80 -2.672 16.288 -0.123 1.00 0.00 O ATOM 1213 CB LYS A 80 -4.942 15.335 1.905 1.00 0.00 C ATOM 1214 CG LYS A 80 -4.280 14.361 2.864 1.00 0.00 C ATOM 1215 CD LYS A 80 -5.193 13.191 3.190 1.00 0.00 C ATOM 1216 CE LYS A 80 -6.120 13.515 4.352 1.00 0.00 C ATOM 1217 NZ LYS A 80 -7.355 14.212 3.899 1.00 0.00 N ATOM 0 H LYS A 80 -4.790 17.459 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.007 17.102 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.943 15.566 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.059 14.853 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.354 13.990 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.011 14.881 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.785 12.934 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.591 12.316 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.391 12.594 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.594 14.141 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.155 13.924 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.220 15.241 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.554 13.959 2.910 1.00 0.00 H new ATOM 1231 N GLY A 81 -1.794 16.175 1.945 1.00 0.00 N ATOM 1232 CA GLY A 81 -0.457 15.893 1.456 1.00 0.00 C ATOM 1233 C GLY A 81 0.561 16.912 1.930 1.00 0.00 C ATOM 1234 O GLY A 81 1.677 16.554 2.306 1.00 0.00 O ATOM 0 H GLY A 81 -1.878 16.223 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.154 14.900 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.468 15.875 0.366 1.00 0.00 H new ATOM 1238 N GLN A 82 0.176 18.184 1.911 1.00 0.00 N ATOM 1239 CA GLN A 82 1.065 19.257 2.340 1.00 0.00 C ATOM 1240 C GLN A 82 1.714 18.923 3.679 1.00 0.00 C ATOM 1241 O GLN A 82 2.920 19.097 3.856 1.00 0.00 O ATOM 1242 CB GLN A 82 0.294 20.574 2.448 1.00 0.00 C ATOM 1243 CG GLN A 82 -0.878 20.515 3.416 1.00 0.00 C ATOM 1244 CD GLN A 82 -1.814 21.699 3.271 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -1.745 22.443 2.293 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -2.695 21.879 4.248 1.00 0.00 N ATOM 0 H GLN A 82 -0.745 18.496 1.603 1.00 0.00 H new ATOM 0 HA GLN A 82 1.851 19.365 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.978 21.361 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.075 20.852 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.436 19.593 3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.499 20.479 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.716 21.237 5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.351 22.659 4.206 1.00 0.00 H new ATOM 1255 N SER A 83 0.907 18.442 4.619 1.00 0.00 N ATOM 1256 CA SER A 83 1.403 18.087 5.944 1.00 0.00 C ATOM 1257 C SER A 83 2.411 16.945 5.859 1.00 0.00 C ATOM 1258 O SER A 83 2.049 15.802 5.581 1.00 0.00 O ATOM 1259 CB SER A 83 0.241 17.691 6.857 1.00 0.00 C ATOM 1260 OG SER A 83 -0.664 18.768 7.027 1.00 0.00 O ATOM 0 H SER A 83 -0.093 18.289 4.488 1.00 0.00 H new ATOM 0 HA SER A 83 1.904 18.959 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.283 16.835 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.627 17.380 7.828 1.00 0.00 H new ATOM 0 HG SER A 83 -1.398 18.489 7.613 1.00 0.00 H new ATOM 1266 N GLY A 84 3.679 17.263 6.101 1.00 0.00 N ATOM 1267 CA GLY A 84 4.720 16.254 6.047 1.00 0.00 C ATOM 1268 C GLY A 84 6.038 16.750 6.608 1.00 0.00 C ATOM 1269 O GLY A 84 6.086 17.699 7.390 1.00 0.00 O ATOM 0 H GLY A 84 4.004 18.202 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.399 15.375 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.864 15.940 5.013 1.00 0.00 H new ATOM 1273 N PRO A 85 7.139 16.098 6.206 1.00 0.00 N ATOM 1274 CA PRO A 85 8.484 16.461 6.663 1.00 0.00 C ATOM 1275 C PRO A 85 8.949 17.797 6.094 1.00 0.00 C ATOM 1276 O PRO A 85 9.586 17.847 5.042 1.00 0.00 O ATOM 1277 CB PRO A 85 9.358 15.321 6.132 1.00 0.00 C ATOM 1278 CG PRO A 85 8.616 14.792 4.954 1.00 0.00 C ATOM 1279 CD PRO A 85 7.157 14.958 5.275 1.00 0.00 C ATOM 0 HA PRO A 85 8.528 16.582 7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.347 15.680 5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.504 14.549 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.881 15.338 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.860 13.744 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.569 15.161 4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.742 14.060 5.732 1.00 0.00 H new ATOM 1287 N SER A 86 8.627 18.878 6.797 1.00 0.00 N ATOM 1288 CA SER A 86 9.009 20.216 6.360 1.00 0.00 C ATOM 1289 C SER A 86 10.078 20.803 7.277 1.00 0.00 C ATOM 1290 O SER A 86 9.890 20.891 8.490 1.00 0.00 O ATOM 1291 CB SER A 86 7.785 21.135 6.331 1.00 0.00 C ATOM 1292 OG SER A 86 7.993 22.233 5.460 1.00 0.00 O ATOM 0 H SER A 86 8.103 18.854 7.672 1.00 0.00 H new ATOM 0 HA SER A 86 9.421 20.139 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.910 20.571 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.576 21.499 7.337 1.00 0.00 H new ATOM 0 HG SER A 86 7.197 22.804 5.458 1.00 0.00 H new ATOM 1298 N SER A 87 11.200 21.202 6.688 1.00 0.00 N ATOM 1299 CA SER A 87 12.302 21.777 7.451 1.00 0.00 C ATOM 1300 C SER A 87 12.288 23.300 7.360 1.00 0.00 C ATOM 1301 O SER A 87 12.383 23.994 8.372 1.00 0.00 O ATOM 1302 CB SER A 87 13.639 21.236 6.942 1.00 0.00 C ATOM 1303 OG SER A 87 13.858 21.605 5.591 1.00 0.00 O ATOM 0 H SER A 87 11.370 21.138 5.684 1.00 0.00 H new ATOM 0 HA SER A 87 12.177 21.492 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.449 21.618 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.653 20.150 7.032 1.00 0.00 H new ATOM 0 HG SER A 87 14.720 21.249 5.290 1.00 0.00 H new ATOM 1309 N GLY A 88 12.170 23.813 6.140 1.00 0.00 N ATOM 1310 CA GLY A 88 12.147 25.250 5.938 1.00 0.00 C ATOM 1311 C GLY A 88 10.750 25.776 5.672 1.00 0.00 C ATOM 1312 O GLY A 88 10.583 26.895 5.188 1.00 0.00 O ATOM 0 H GLY A 88 12.090 23.259 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.556 25.744 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.794 25.506 5.099 1.00 0.00 H new TER 1316 GLY A 88