USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 810 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 59 GLN : amide:sc= -0.683 K(o=-1.6,f=-0.28) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.929 X(o=-1.6,f=-1.3) USER MOD Set 2.1: A 57 CYS SG : rot -104:sc= -1.45 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.486 K(o=-1.9,f=-4!) USER MOD Set 3.1: A 29 TYR OH : rot 70:sc= 0.396 USER MOD Set 3.2: A 97 THR OG1 : rot -103:sc= 0.73 USER MOD Set 4.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-10!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.831 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 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 28 GLN : amide:sc= -0.212 K(o=-0.21,f=0.84) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 54 SER OG : rot 180:sc= -1.01 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.877 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 81 THR OG1 : rot 79:sc= 0.52 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.511 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.518 USER MOD Single : A 90 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.0265 (180deg=-0.229) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 0.989 7.329 0.868 1.00 11.23 N ATOM 53 CA SER A 6 0.315 8.391 1.606 1.00 42.01 C ATOM 54 C SER A 6 -0.388 9.353 0.653 1.00 42.32 C ATOM 55 O SER A 6 -0.175 9.311 -0.559 1.00 61.34 O ATOM 56 CB SER A 6 1.319 9.155 2.471 1.00 44.21 C ATOM 57 OG SER A 6 1.965 10.172 1.725 1.00 71.21 O ATOM 0 HA SER A 6 -0.435 7.933 2.251 1.00 42.01 H new ATOM 0 HB2 SER A 6 0.806 9.597 3.325 1.00 44.21 H new ATOM 0 HB3 SER A 6 2.062 8.463 2.868 1.00 44.21 H new ATOM 0 HG SER A 6 2.600 10.646 2.301 1.00 71.21 H new ATOM 63 N VAL A 7 -1.228 10.218 1.211 1.00 31.43 N ATOM 64 CA VAL A 7 -1.963 11.192 0.413 1.00 33.04 C ATOM 65 C VAL A 7 -1.114 12.426 0.131 1.00 75.23 C ATOM 66 O VAL A 7 -0.805 12.732 -1.021 1.00 44.41 O ATOM 67 CB VAL A 7 -3.264 11.626 1.114 1.00 21.31 C ATOM 68 CG1 VAL A 7 -4.017 12.639 0.264 1.00 53.14 C ATOM 69 CG2 VAL A 7 -4.136 10.417 1.416 1.00 50.20 C ATOM 0 H VAL A 7 -1.417 10.264 2.212 1.00 31.43 H new ATOM 0 HA VAL A 7 -2.213 10.704 -0.529 1.00 33.04 H new ATOM 0 HB VAL A 7 -3.005 12.103 2.059 1.00 21.31 H new ATOM 0 HG11 VAL A 7 -4.933 12.934 0.776 1.00 53.14 H new ATOM 0 HG12 VAL A 7 -3.391 13.517 0.105 1.00 53.14 H new ATOM 0 HG13 VAL A 7 -4.266 12.192 -0.699 1.00 53.14 H new ATOM 0 HG21 VAL A 7 -5.051 10.743 1.911 1.00 50.20 H new ATOM 0 HG22 VAL A 7 -4.388 9.909 0.485 1.00 50.20 H new ATOM 0 HG23 VAL A 7 -3.595 9.732 2.068 1.00 50.20 H new ATOM 79 N LEU A 8 -0.740 13.134 1.191 1.00 45.34 N ATOM 80 CA LEU A 8 0.076 14.336 1.060 1.00 64.21 C ATOM 81 C LEU A 8 1.458 14.127 1.673 1.00 13.22 C ATOM 82 O LEU A 8 1.585 13.584 2.771 1.00 21.43 O ATOM 83 CB LEU A 8 -0.618 15.522 1.732 1.00 10.03 C ATOM 84 CG LEU A 8 -2.007 15.875 1.200 1.00 31.34 C ATOM 85 CD1 LEU A 8 -2.489 17.189 1.796 1.00 70.42 C ATOM 86 CD2 LEU A 8 -1.993 15.951 -0.320 1.00 60.23 C ATOM 0 H LEU A 8 -0.989 12.896 2.151 1.00 45.34 H new ATOM 0 HA LEU A 8 0.199 14.548 -0.002 1.00 64.21 H new ATOM 0 HB2 LEU A 8 -0.702 15.312 2.798 1.00 10.03 H new ATOM 0 HB3 LEU A 8 0.022 16.398 1.629 1.00 10.03 H new ATOM 0 HG LEU A 8 -2.700 15.088 1.498 1.00 31.34 H new ATOM 0 HD11 LEU A 8 -3.479 17.424 1.406 1.00 70.42 H new ATOM 0 HD12 LEU A 8 -2.538 17.100 2.881 1.00 70.42 H new ATOM 0 HD13 LEU A 8 -1.795 17.986 1.529 1.00 70.42 H new ATOM 0 HD21 LEU A 8 -2.990 16.203 -0.681 1.00 60.23 H new ATOM 0 HD22 LEU A 8 -1.287 16.717 -0.639 1.00 60.23 H new ATOM 0 HD23 LEU A 8 -1.692 14.987 -0.730 1.00 60.23 H new ATOM 98 N SER A 9 2.489 14.563 0.957 1.00 54.24 N ATOM 99 CA SER A 9 3.861 14.422 1.430 1.00 12.01 C ATOM 100 C SER A 9 4.184 15.477 2.484 1.00 31.23 C ATOM 101 O SER A 9 3.290 16.138 3.010 1.00 43.02 O ATOM 102 CB SER A 9 4.840 14.538 0.260 1.00 11.43 C ATOM 103 OG SER A 9 5.189 15.890 0.018 1.00 42.22 O ATOM 0 H SER A 9 2.401 15.017 0.048 1.00 54.24 H new ATOM 0 HA SER A 9 3.963 13.437 1.884 1.00 12.01 H new ATOM 0 HB2 SER A 9 5.739 13.960 0.475 1.00 11.43 H new ATOM 0 HB3 SER A 9 4.392 14.109 -0.636 1.00 11.43 H new ATOM 0 HG SER A 9 5.817 15.936 -0.733 1.00 42.22 H new ATOM 109 N GLY A 10 5.469 15.629 2.786 1.00 44.12 N ATOM 110 CA GLY A 10 5.889 16.605 3.776 1.00 2.55 C ATOM 111 C GLY A 10 5.529 18.022 3.380 1.00 71.31 C ATOM 112 O GLY A 10 4.758 18.690 4.069 1.00 51.22 O ATOM 0 H GLY A 10 6.228 15.094 2.363 1.00 44.12 H new ATOM 0 HA2 GLY A 10 5.425 16.369 4.734 1.00 2.55 H new ATOM 0 HA3 GLY A 10 6.967 16.533 3.918 1.00 2.55 H new ATOM 116 N GLY A 11 6.090 18.486 2.267 1.00 40.41 N ATOM 117 CA GLY A 11 5.812 19.832 1.802 1.00 64.32 C ATOM 118 C GLY A 11 4.333 20.075 1.576 1.00 64.12 C ATOM 119 O GLY A 11 3.820 21.149 1.886 1.00 44.01 O ATOM 0 H GLY A 11 6.732 17.954 1.680 1.00 40.41 H new ATOM 0 HA2 GLY A 11 6.187 20.550 2.532 1.00 64.32 H new ATOM 0 HA3 GLY A 11 6.352 20.010 0.872 1.00 64.32 H new ATOM 123 N GLU A 12 3.647 19.074 1.034 1.00 13.43 N ATOM 124 CA GLU A 12 2.218 19.186 0.766 1.00 22.15 C ATOM 125 C GLU A 12 1.428 19.300 2.065 1.00 74.01 C ATOM 126 O GLU A 12 0.462 20.059 2.154 1.00 65.31 O ATOM 127 CB GLU A 12 1.731 17.976 -0.037 1.00 73.54 C ATOM 128 CG GLU A 12 2.623 17.630 -1.217 1.00 10.51 C ATOM 129 CD GLU A 12 1.991 16.611 -2.145 1.00 22.14 C ATOM 130 OE1 GLU A 12 2.113 15.400 -1.866 1.00 2.12 O ATOM 131 OE2 GLU A 12 1.376 17.024 -3.149 1.00 13.35 O ATOM 0 H GLU A 12 4.057 18.177 0.772 1.00 13.43 H new ATOM 0 HA GLU A 12 2.054 20.091 0.181 1.00 22.15 H new ATOM 0 HB2 GLU A 12 1.668 17.113 0.625 1.00 73.54 H new ATOM 0 HB3 GLU A 12 0.723 18.174 -0.400 1.00 73.54 H new ATOM 0 HG2 GLU A 12 2.846 18.538 -1.778 1.00 10.51 H new ATOM 0 HG3 GLU A 12 3.572 17.241 -0.849 1.00 10.51 H new ATOM 138 N LEU A 13 1.844 18.539 3.072 1.00 75.34 N ATOM 139 CA LEU A 13 1.174 18.553 4.369 1.00 20.51 C ATOM 140 C LEU A 13 1.091 19.973 4.923 1.00 13.51 C ATOM 141 O LEU A 13 0.016 20.438 5.301 1.00 71.44 O ATOM 142 CB LEU A 13 1.916 17.651 5.357 1.00 33.22 C ATOM 143 CG LEU A 13 1.199 17.373 6.679 1.00 53.11 C ATOM 144 CD1 LEU A 13 -0.113 16.644 6.432 1.00 41.13 C ATOM 145 CD2 LEU A 13 2.093 16.566 7.610 1.00 71.41 C ATOM 0 H LEU A 13 2.641 17.905 3.016 1.00 75.34 H new ATOM 0 HA LEU A 13 0.161 18.176 4.232 1.00 20.51 H new ATOM 0 HB2 LEU A 13 2.117 16.698 4.868 1.00 33.22 H new ATOM 0 HB3 LEU A 13 2.882 18.105 5.579 1.00 33.22 H new ATOM 0 HG LEU A 13 0.976 18.327 7.157 1.00 53.11 H new ATOM 0 HD11 LEU A 13 -0.609 16.455 7.384 1.00 41.13 H new ATOM 0 HD12 LEU A 13 -0.757 17.258 5.803 1.00 41.13 H new ATOM 0 HD13 LEU A 13 0.086 15.696 5.932 1.00 41.13 H new ATOM 0 HD21 LEU A 13 1.567 16.377 8.546 1.00 71.41 H new ATOM 0 HD22 LEU A 13 2.347 15.617 7.138 1.00 71.41 H new ATOM 0 HD23 LEU A 13 3.006 17.126 7.813 1.00 71.41 H new ATOM 157 N ASP A 14 2.230 20.654 4.964 1.00 40.33 N ATOM 158 CA ASP A 14 2.285 22.021 5.469 1.00 72.51 C ATOM 159 C ASP A 14 1.312 22.919 4.712 1.00 4.22 C ATOM 160 O ASP A 14 0.441 23.551 5.309 1.00 32.32 O ATOM 161 CB ASP A 14 3.706 22.574 5.351 1.00 12.43 C ATOM 162 CG ASP A 14 3.900 23.847 6.151 1.00 43.32 C ATOM 163 OD1 ASP A 14 3.020 24.730 6.083 1.00 42.25 O ATOM 164 OD2 ASP A 14 4.933 23.960 6.845 1.00 23.23 O ATOM 0 H ASP A 14 3.128 20.282 4.654 1.00 40.33 H new ATOM 0 HA ASP A 14 1.995 22.006 6.520 1.00 72.51 H new ATOM 0 HB2 ASP A 14 4.415 21.821 5.694 1.00 12.43 H new ATOM 0 HB3 ASP A 14 3.931 22.769 4.302 1.00 12.43 H new ATOM 169 N LYS A 15 1.466 22.972 3.393 1.00 45.32 N ATOM 170 CA LYS A 15 0.602 23.792 2.553 1.00 2.43 C ATOM 171 C LYS A 15 -0.861 23.402 2.733 1.00 72.04 C ATOM 172 O LYS A 15 -1.755 24.242 2.625 1.00 3.34 O ATOM 173 CB LYS A 15 1.002 23.649 1.083 1.00 13.25 C ATOM 174 CG LYS A 15 1.825 24.813 0.559 1.00 35.21 C ATOM 175 CD LYS A 15 3.310 24.494 0.565 1.00 52.43 C ATOM 176 CE LYS A 15 4.148 25.736 0.309 1.00 2.22 C ATOM 177 NZ LYS A 15 5.137 25.972 1.397 1.00 40.02 N ATOM 0 H LYS A 15 2.182 22.456 2.883 1.00 45.32 H new ATOM 0 HA LYS A 15 0.722 24.832 2.857 1.00 2.43 H new ATOM 0 HB2 LYS A 15 1.571 22.728 0.958 1.00 13.25 H new ATOM 0 HB3 LYS A 15 0.101 23.551 0.478 1.00 13.25 H new ATOM 0 HG2 LYS A 15 1.508 25.056 -0.455 1.00 35.21 H new ATOM 0 HG3 LYS A 15 1.639 25.696 1.171 1.00 35.21 H new ATOM 0 HD2 LYS A 15 3.586 24.059 1.526 1.00 52.43 H new ATOM 0 HD3 LYS A 15 3.525 23.745 -0.197 1.00 52.43 H new ATOM 0 HE2 LYS A 15 4.672 25.631 -0.641 1.00 2.22 H new ATOM 0 HE3 LYS A 15 3.494 26.603 0.219 1.00 2.22 H new ATOM 0 HZ1 LYS A 15 5.689 26.828 1.185 1.00 40.02 H new ATOM 0 HZ2 LYS A 15 4.636 26.097 2.300 1.00 40.02 H new ATOM 0 HZ3 LYS A 15 5.778 25.156 1.467 1.00 40.02 H new ATOM 191 N TRP A 16 -1.098 22.124 3.011 1.00 74.43 N ATOM 192 CA TRP A 16 -2.454 21.625 3.209 1.00 3.45 C ATOM 193 C TRP A 16 -3.079 22.225 4.464 1.00 24.04 C ATOM 194 O TRP A 16 -4.216 22.693 4.437 1.00 63.34 O ATOM 195 CB TRP A 16 -2.448 20.099 3.306 1.00 51.32 C ATOM 196 CG TRP A 16 -3.779 19.522 3.685 1.00 65.14 C ATOM 197 CD1 TRP A 16 -4.162 19.090 4.923 1.00 4.32 C ATOM 198 CD2 TRP A 16 -4.899 19.314 2.820 1.00 54.43 C ATOM 199 NE1 TRP A 16 -5.454 18.625 4.879 1.00 50.02 N ATOM 200 CE2 TRP A 16 -5.929 18.753 3.601 1.00 10.50 C ATOM 201 CE3 TRP A 16 -5.136 19.549 1.463 1.00 41.14 C ATOM 202 CZ2 TRP A 16 -7.172 18.423 3.067 1.00 12.21 C ATOM 203 CZ3 TRP A 16 -6.369 19.221 0.935 1.00 31.33 C ATOM 204 CH2 TRP A 16 -7.375 18.664 1.735 1.00 61.15 C ATOM 0 H TRP A 16 -0.370 21.416 3.104 1.00 74.43 H new ATOM 0 HA TRP A 16 -3.054 21.925 2.350 1.00 3.45 H new ATOM 0 HB2 TRP A 16 -2.139 19.682 2.347 1.00 51.32 H new ATOM 0 HB3 TRP A 16 -1.704 19.792 4.041 1.00 51.32 H new ATOM 0 HD1 TRP A 16 -3.541 19.111 5.806 1.00 4.32 H new ATOM 0 HE1 TRP A 16 -5.975 18.246 5.670 1.00 50.02 H new ATOM 0 HE3 TRP A 16 -4.368 19.980 0.838 1.00 41.14 H new ATOM 0 HZ2 TRP A 16 -7.948 17.992 3.682 1.00 12.21 H new ATOM 0 HZ3 TRP A 16 -6.561 19.397 -0.113 1.00 31.33 H new ATOM 0 HH2 TRP A 16 -8.329 18.420 1.292 1.00 61.15 H new ATOM 215 N GLU A 17 -2.326 22.207 5.559 1.00 71.12 N ATOM 216 CA GLU A 17 -2.808 22.750 6.824 1.00 75.05 C ATOM 217 C GLU A 17 -3.079 24.247 6.706 1.00 54.12 C ATOM 218 O GLU A 17 -3.799 24.825 7.521 1.00 62.22 O ATOM 219 CB GLU A 17 -1.790 22.492 7.937 1.00 14.41 C ATOM 220 CG GLU A 17 -1.743 21.044 8.395 1.00 52.41 C ATOM 221 CD GLU A 17 -1.005 20.870 9.708 1.00 60.53 C ATOM 222 OE1 GLU A 17 -1.570 21.240 10.759 1.00 74.40 O ATOM 223 OE2 GLU A 17 0.137 20.365 9.686 1.00 32.04 O ATOM 0 H GLU A 17 -1.382 21.823 5.596 1.00 71.12 H new ATOM 0 HA GLU A 17 -3.743 22.247 7.072 1.00 75.05 H new ATOM 0 HB2 GLU A 17 -0.800 22.786 7.588 1.00 14.41 H new ATOM 0 HB3 GLU A 17 -2.029 23.127 8.790 1.00 14.41 H new ATOM 0 HG2 GLU A 17 -2.760 20.668 8.502 1.00 52.41 H new ATOM 0 HG3 GLU A 17 -1.259 20.440 7.628 1.00 52.41 H new ATOM 230 N LYS A 18 -2.499 24.868 5.685 1.00 63.41 N ATOM 231 CA LYS A 18 -2.676 26.297 5.458 1.00 73.41 C ATOM 232 C LYS A 18 -4.090 26.599 4.969 1.00 51.34 C ATOM 233 O LYS A 18 -4.883 27.218 5.678 1.00 62.43 O ATOM 234 CB LYS A 18 -1.654 26.804 4.439 1.00 0.23 C ATOM 235 CG LYS A 18 -0.637 27.768 5.023 1.00 75.14 C ATOM 236 CD LYS A 18 0.594 27.884 4.141 1.00 3.51 C ATOM 237 CE LYS A 18 1.728 28.604 4.856 1.00 55.41 C ATOM 238 NZ LYS A 18 2.418 29.575 3.965 1.00 20.14 N ATOM 0 H LYS A 18 -1.902 24.404 5.001 1.00 63.41 H new ATOM 0 HA LYS A 18 -2.520 26.812 6.406 1.00 73.41 H new ATOM 0 HB2 LYS A 18 -1.128 25.951 4.010 1.00 0.23 H new ATOM 0 HB3 LYS A 18 -2.182 27.297 3.623 1.00 0.23 H new ATOM 0 HG2 LYS A 18 -1.093 28.751 5.143 1.00 75.14 H new ATOM 0 HG3 LYS A 18 -0.343 27.430 6.017 1.00 75.14 H new ATOM 0 HD2 LYS A 18 0.924 26.889 3.843 1.00 3.51 H new ATOM 0 HD3 LYS A 18 0.339 28.422 3.228 1.00 3.51 H new ATOM 0 HE2 LYS A 18 1.334 29.127 5.727 1.00 55.41 H new ATOM 0 HE3 LYS A 18 2.448 27.873 5.223 1.00 55.41 H new ATOM 0 HZ1 LYS A 18 3.184 30.044 4.490 1.00 20.14 H new ATOM 0 HZ2 LYS A 18 2.817 29.072 3.146 1.00 20.14 H new ATOM 0 HZ3 LYS A 18 1.737 30.288 3.635 1.00 20.14 H new ATOM 252 N ILE A 19 -4.399 26.155 3.755 1.00 44.05 N ATOM 253 CA ILE A 19 -5.717 26.376 3.174 1.00 43.23 C ATOM 254 C ILE A 19 -6.819 26.088 4.187 1.00 53.14 C ATOM 255 O ILE A 19 -6.694 25.187 5.018 1.00 23.13 O ATOM 256 CB ILE A 19 -5.937 25.496 1.929 1.00 30.43 C ATOM 257 CG1 ILE A 19 -4.824 25.734 0.907 1.00 51.54 C ATOM 258 CG2 ILE A 19 -7.299 25.782 1.314 1.00 0.34 C ATOM 259 CD1 ILE A 19 -4.269 24.458 0.311 1.00 24.31 C ATOM 0 H ILE A 19 -3.754 25.640 3.155 1.00 44.05 H new ATOM 0 HA ILE A 19 -5.761 27.425 2.881 1.00 43.23 H new ATOM 0 HB ILE A 19 -5.909 24.449 2.231 1.00 30.43 H new ATOM 0 HG12 ILE A 19 -5.207 26.364 0.104 1.00 51.54 H new ATOM 0 HG13 ILE A 19 -4.014 26.285 1.385 1.00 51.54 H new ATOM 0 HG21 ILE A 19 -7.441 25.153 0.435 1.00 0.34 H new ATOM 0 HG22 ILE A 19 -8.080 25.567 2.044 1.00 0.34 H new ATOM 0 HG23 ILE A 19 -7.353 26.831 1.022 1.00 0.34 H new ATOM 0 HD11 ILE A 19 -3.484 24.702 -0.405 1.00 24.31 H new ATOM 0 HD12 ILE A 19 -3.855 23.836 1.105 1.00 24.31 H new ATOM 0 HD13 ILE A 19 -5.067 23.916 -0.196 1.00 24.31 H new ATOM 271 N ARG A 20 -7.900 26.857 4.112 1.00 51.21 N ATOM 272 CA ARG A 20 -9.026 26.684 5.023 1.00 22.54 C ATOM 273 C ARG A 20 -10.270 26.226 4.267 1.00 74.34 C ATOM 274 O ARG A 20 -10.370 26.399 3.053 1.00 12.43 O ATOM 275 CB ARG A 20 -9.317 27.992 5.761 1.00 45.24 C ATOM 276 CG ARG A 20 -8.108 28.566 6.482 1.00 22.41 C ATOM 277 CD ARG A 20 -8.470 29.820 7.264 1.00 61.03 C ATOM 278 NE ARG A 20 -7.666 30.970 6.857 1.00 13.31 N ATOM 279 CZ ARG A 20 -6.390 31.129 7.189 1.00 3.31 C ATOM 280 NH1 ARG A 20 -5.774 30.216 7.928 1.00 35.34 N ATOM 281 NH2 ARG A 20 -5.726 32.202 6.780 1.00 44.13 N ATOM 0 H ARG A 20 -8.020 27.606 3.430 1.00 51.21 H new ATOM 0 HA ARG A 20 -8.760 25.916 5.750 1.00 22.54 H new ATOM 0 HB2 ARG A 20 -9.687 28.728 5.047 1.00 45.24 H new ATOM 0 HB3 ARG A 20 -10.114 27.822 6.485 1.00 45.24 H new ATOM 0 HG2 ARG A 20 -7.699 27.818 7.161 1.00 22.41 H new ATOM 0 HG3 ARG A 20 -7.328 28.800 5.758 1.00 22.41 H new ATOM 0 HD2 ARG A 20 -9.526 30.046 7.118 1.00 61.03 H new ATOM 0 HD3 ARG A 20 -8.328 29.637 8.329 1.00 61.03 H new ATOM 0 HE ARG A 20 -8.109 31.690 6.287 1.00 13.31 H new ATOM 0 HH11 ARG A 20 -6.280 29.389 8.243 1.00 35.34 H new ATOM 0 HH12 ARG A 20 -4.794 30.341 8.181 1.00 35.34 H new ATOM 0 HH21 ARG A 20 -6.195 32.906 6.210 1.00 44.13 H new ATOM 0 HH22 ARG A 20 -4.746 32.323 7.035 1.00 44.13 H new ATOM 295 N LEU A 21 -11.216 25.643 4.996 1.00 5.12 N ATOM 296 CA LEU A 21 -12.454 25.158 4.395 1.00 24.52 C ATOM 297 C LEU A 21 -13.249 26.309 3.786 1.00 32.10 C ATOM 298 O LEU A 21 -13.874 26.157 2.737 1.00 12.23 O ATOM 299 CB LEU A 21 -13.303 24.435 5.442 1.00 21.13 C ATOM 300 CG LEU A 21 -12.675 23.191 6.071 1.00 43.14 C ATOM 301 CD1 LEU A 21 -13.526 22.691 7.229 1.00 22.20 C ATOM 302 CD2 LEU A 21 -12.496 22.098 5.028 1.00 13.32 C ATOM 0 H LEU A 21 -11.149 25.495 6.003 1.00 5.12 H new ATOM 0 HA LEU A 21 -12.195 24.458 3.601 1.00 24.52 H new ATOM 0 HB2 LEU A 21 -13.540 25.140 6.239 1.00 21.13 H new ATOM 0 HB3 LEU A 21 -14.247 24.147 4.980 1.00 21.13 H new ATOM 0 HG LEU A 21 -11.692 23.460 6.458 1.00 43.14 H new ATOM 0 HD11 LEU A 21 -13.064 21.805 7.664 1.00 22.20 H new ATOM 0 HD12 LEU A 21 -13.603 23.470 7.987 1.00 22.20 H new ATOM 0 HD13 LEU A 21 -14.522 22.439 6.866 1.00 22.20 H new ATOM 0 HD21 LEU A 21 -12.048 21.220 5.494 1.00 13.32 H new ATOM 0 HD22 LEU A 21 -13.467 21.831 4.610 1.00 13.32 H new ATOM 0 HD23 LEU A 21 -11.845 22.458 4.231 1.00 13.32 H new ATOM 314 N ARG A 22 -13.219 27.460 4.450 1.00 53.31 N ATOM 315 CA ARG A 22 -13.937 28.636 3.973 1.00 44.45 C ATOM 316 C ARG A 22 -12.991 29.824 3.818 1.00 41.41 C ATOM 317 O ARG A 22 -11.923 29.882 4.428 1.00 24.12 O ATOM 318 CB ARG A 22 -15.069 28.995 4.938 1.00 61.22 C ATOM 319 CG ARG A 22 -16.368 28.261 4.652 1.00 60.14 C ATOM 320 CD ARG A 22 -17.569 29.186 4.774 1.00 55.42 C ATOM 321 NE ARG A 22 -18.820 28.444 4.911 1.00 4.12 N ATOM 322 CZ ARG A 22 -19.439 27.854 3.895 1.00 33.42 C ATOM 323 NH1 ARG A 22 -18.927 27.920 2.673 1.00 71.43 N ATOM 324 NH2 ARG A 22 -20.574 27.198 4.099 1.00 2.32 N ATOM 0 H ARG A 22 -12.705 27.603 5.320 1.00 53.31 H new ATOM 0 HA ARG A 22 -14.361 28.401 2.997 1.00 44.45 H new ATOM 0 HB2 ARG A 22 -14.752 28.771 5.956 1.00 61.22 H new ATOM 0 HB3 ARG A 22 -15.250 30.069 4.889 1.00 61.22 H new ATOM 0 HG2 ARG A 22 -16.334 27.837 3.648 1.00 60.14 H new ATOM 0 HG3 ARG A 22 -16.477 27.428 5.346 1.00 60.14 H new ATOM 0 HD2 ARG A 22 -17.438 29.838 5.637 1.00 55.42 H new ATOM 0 HD3 ARG A 22 -17.623 29.828 3.895 1.00 55.42 H new ATOM 0 HE ARG A 22 -19.241 28.375 5.838 1.00 4.12 H new ATOM 0 HH11 ARG A 22 -18.056 28.425 2.512 1.00 71.43 H new ATOM 0 HH12 ARG A 22 -19.405 27.466 1.895 1.00 71.43 H new ATOM 0 HH21 ARG A 22 -20.972 27.147 5.037 1.00 2.32 H new ATOM 0 HH22 ARG A 22 -21.049 26.745 3.318 1.00 2.32 H new ATOM 338 N PRO A 23 -13.391 30.793 2.982 1.00 42.13 N ATOM 339 CA PRO A 23 -12.594 31.996 2.727 1.00 23.01 C ATOM 340 C PRO A 23 -12.542 32.925 3.936 1.00 2.23 C ATOM 341 O PRO A 23 -11.492 33.480 4.260 1.00 11.42 O ATOM 342 CB PRO A 23 -13.330 32.670 1.567 1.00 15.34 C ATOM 343 CG PRO A 23 -14.736 32.189 1.679 1.00 65.30 C ATOM 344 CD PRO A 23 -14.652 30.790 2.223 1.00 31.05 C ATOM 0 HA PRO A 23 -11.554 31.756 2.508 1.00 23.01 H new ATOM 0 HB2 PRO A 23 -13.276 33.756 1.642 1.00 15.34 H new ATOM 0 HB3 PRO A 23 -12.893 32.394 0.607 1.00 15.34 H new ATOM 0 HG2 PRO A 23 -15.317 32.831 2.341 1.00 65.30 H new ATOM 0 HG3 PRO A 23 -15.231 32.201 0.708 1.00 65.30 H new ATOM 0 HD2 PRO A 23 -15.504 30.555 2.861 1.00 31.05 H new ATOM 0 HD3 PRO A 23 -14.638 30.049 1.424 1.00 31.05 H new ATOM 352 N GLY A 24 -13.682 33.089 4.598 1.00 70.34 N ATOM 353 CA GLY A 24 -13.744 33.951 5.765 1.00 35.23 C ATOM 354 C GLY A 24 -13.888 33.171 7.056 1.00 2.52 C ATOM 355 O GLY A 24 -14.506 33.643 8.009 1.00 45.14 O ATOM 0 H GLY A 24 -14.564 32.641 4.348 1.00 70.34 H new ATOM 0 HA2 GLY A 24 -12.841 34.560 5.811 1.00 35.23 H new ATOM 0 HA3 GLY A 24 -14.586 34.636 5.662 1.00 35.23 H new ATOM 359 N GLY A 25 -13.317 31.970 7.087 1.00 24.15 N ATOM 360 CA GLY A 25 -13.397 31.141 8.275 1.00 73.23 C ATOM 361 C GLY A 25 -12.070 31.034 8.998 1.00 42.31 C ATOM 362 O GLY A 25 -11.058 31.563 8.538 1.00 2.14 O ATOM 0 H GLY A 25 -12.801 31.557 6.310 1.00 24.15 H new ATOM 0 HA2 GLY A 25 -14.144 31.554 8.953 1.00 73.23 H new ATOM 0 HA3 GLY A 25 -13.737 30.144 7.996 1.00 73.23 H new ATOM 366 N LYS A 26 -12.071 30.348 10.136 1.00 1.50 N ATOM 367 CA LYS A 26 -10.858 30.173 10.926 1.00 14.21 C ATOM 368 C LYS A 26 -10.449 28.704 10.976 1.00 40.24 C ATOM 369 O LYS A 26 -9.390 28.362 11.502 1.00 52.21 O ATOM 370 CB LYS A 26 -11.068 30.703 12.346 1.00 73.50 C ATOM 371 CG LYS A 26 -10.419 32.055 12.592 1.00 55.31 C ATOM 372 CD LYS A 26 -9.820 32.139 13.986 1.00 63.03 C ATOM 373 CE LYS A 26 -9.299 33.537 14.285 1.00 43.42 C ATOM 374 NZ LYS A 26 -9.151 33.773 15.747 1.00 43.32 N ATOM 0 H LYS A 26 -12.899 29.904 10.532 1.00 1.50 H new ATOM 0 HA LYS A 26 -10.058 30.739 10.448 1.00 14.21 H new ATOM 0 HB2 LYS A 26 -12.137 30.782 12.541 1.00 73.50 H new ATOM 0 HB3 LYS A 26 -10.666 29.981 13.057 1.00 73.50 H new ATOM 0 HG2 LYS A 26 -9.640 32.227 11.849 1.00 55.31 H new ATOM 0 HG3 LYS A 26 -11.160 32.844 12.465 1.00 55.31 H new ATOM 0 HD2 LYS A 26 -10.574 31.865 14.724 1.00 63.03 H new ATOM 0 HD3 LYS A 26 -9.007 31.419 14.078 1.00 63.03 H new ATOM 0 HE2 LYS A 26 -8.336 33.678 13.795 1.00 43.42 H new ATOM 0 HE3 LYS A 26 -9.981 34.276 13.865 1.00 43.42 H new ATOM 0 HZ1 LYS A 26 -8.794 34.736 15.909 1.00 43.32 H new ATOM 0 HZ2 LYS A 26 -10.075 33.664 16.212 1.00 43.32 H new ATOM 0 HZ3 LYS A 26 -8.480 33.084 16.144 1.00 43.32 H new ATOM 388 N LYS A 27 -11.295 27.840 10.426 1.00 31.25 N ATOM 389 CA LYS A 27 -11.021 26.408 10.405 1.00 13.20 C ATOM 390 C LYS A 27 -10.144 26.038 9.213 1.00 20.55 C ATOM 391 O LYS A 27 -10.597 26.059 8.069 1.00 1.23 O ATOM 392 CB LYS A 27 -12.330 25.618 10.352 1.00 13.13 C ATOM 393 CG LYS A 27 -12.330 24.380 11.232 1.00 2.15 C ATOM 394 CD LYS A 27 -13.117 23.245 10.597 1.00 12.23 C ATOM 395 CE LYS A 27 -13.846 22.418 11.646 1.00 32.15 C ATOM 396 NZ LYS A 27 -14.155 21.047 11.153 1.00 71.43 N ATOM 0 H LYS A 27 -12.177 28.107 9.988 1.00 31.25 H new ATOM 0 HA LYS A 27 -10.486 26.153 11.320 1.00 13.20 H new ATOM 0 HB2 LYS A 27 -13.150 26.269 10.655 1.00 13.13 H new ATOM 0 HB3 LYS A 27 -12.524 25.321 9.321 1.00 13.13 H new ATOM 0 HG2 LYS A 27 -11.304 24.058 11.409 1.00 2.15 H new ATOM 0 HG3 LYS A 27 -12.760 24.623 12.204 1.00 2.15 H new ATOM 0 HD2 LYS A 27 -13.838 23.652 9.888 1.00 12.23 H new ATOM 0 HD3 LYS A 27 -12.441 22.604 10.032 1.00 12.23 H new ATOM 0 HE2 LYS A 27 -13.234 22.351 12.546 1.00 32.15 H new ATOM 0 HE3 LYS A 27 -14.772 22.921 11.926 1.00 32.15 H new ATOM 0 HZ1 LYS A 27 -14.651 20.515 11.896 1.00 71.43 H new ATOM 0 HZ2 LYS A 27 -14.760 21.110 10.309 1.00 71.43 H new ATOM 0 HZ3 LYS A 27 -13.270 20.558 10.909 1.00 71.43 H new ATOM 410 N GLN A 28 -8.888 25.702 9.490 1.00 14.44 N ATOM 411 CA GLN A 28 -7.949 25.328 8.439 1.00 50.30 C ATOM 412 C GLN A 28 -8.102 23.856 8.071 1.00 13.05 C ATOM 413 O GLN A 28 -8.792 23.102 8.758 1.00 45.02 O ATOM 414 CB GLN A 28 -6.513 25.607 8.886 1.00 42.44 C ATOM 415 CG GLN A 28 -6.358 26.906 9.659 1.00 43.33 C ATOM 416 CD GLN A 28 -6.218 26.684 11.153 1.00 44.30 C ATOM 417 OE1 GLN A 28 -7.150 26.929 11.919 1.00 44.32 O ATOM 418 NE2 GLN A 28 -5.048 26.218 11.574 1.00 40.24 N ATOM 0 H GLN A 28 -8.498 25.681 10.432 1.00 14.44 H new ATOM 0 HA GLN A 28 -8.171 25.929 7.557 1.00 50.30 H new ATOM 0 HB2 GLN A 28 -6.168 24.781 9.507 1.00 42.44 H new ATOM 0 HB3 GLN A 28 -5.867 25.637 8.008 1.00 42.44 H new ATOM 0 HG2 GLN A 28 -5.482 27.441 9.291 1.00 43.33 H new ATOM 0 HG3 GLN A 28 -7.223 27.542 9.470 1.00 43.33 H new ATOM 0 HE21 GLN A 28 -4.303 26.029 10.903 1.00 40.24 H new ATOM 0 HE22 GLN A 28 -4.894 26.049 12.568 1.00 40.24 H new ATOM 427 N TYR A 29 -7.457 23.453 6.982 1.00 45.30 N ATOM 428 CA TYR A 29 -7.523 22.072 6.520 1.00 54.13 C ATOM 429 C TYR A 29 -6.693 21.157 7.415 1.00 23.11 C ATOM 430 O TYR A 29 -5.615 21.531 7.875 1.00 64.53 O ATOM 431 CB TYR A 29 -7.035 21.970 5.075 1.00 60.11 C ATOM 432 CG TYR A 29 -8.153 21.915 4.059 1.00 52.02 C ATOM 433 CD1 TYR A 29 -9.014 20.826 4.005 1.00 12.04 C ATOM 434 CD2 TYR A 29 -8.350 22.951 3.154 1.00 5.12 C ATOM 435 CE1 TYR A 29 -10.038 20.770 3.077 1.00 65.33 C ATOM 436 CE2 TYR A 29 -9.370 22.904 2.226 1.00 33.21 C ATOM 437 CZ TYR A 29 -10.212 21.812 2.191 1.00 31.30 C ATOM 438 OH TYR A 29 -11.230 21.761 1.266 1.00 65.23 O ATOM 0 H TYR A 29 -6.882 24.064 6.402 1.00 45.30 H new ATOM 0 HA TYR A 29 -8.563 21.750 6.568 1.00 54.13 H new ATOM 0 HB2 TYR A 29 -6.398 22.826 4.855 1.00 60.11 H new ATOM 0 HB3 TYR A 29 -6.417 21.078 4.971 1.00 60.11 H new ATOM 0 HD1 TYR A 29 -8.881 20.009 4.699 1.00 12.04 H new ATOM 0 HD2 TYR A 29 -7.693 23.808 3.177 1.00 5.12 H new ATOM 0 HE1 TYR A 29 -10.697 19.915 3.047 1.00 65.33 H new ATOM 0 HE2 TYR A 29 -9.508 23.718 1.530 1.00 33.21 H new ATOM 0 HH TYR A 29 -12.092 21.857 1.722 1.00 65.23 H new ATOM 448 N LYS A 30 -7.204 19.955 7.658 1.00 4.25 N ATOM 449 CA LYS A 30 -6.510 18.983 8.495 1.00 12.12 C ATOM 450 C LYS A 30 -6.612 17.582 7.902 1.00 1.14 C ATOM 451 O LYS A 30 -7.393 17.342 6.980 1.00 13.14 O ATOM 452 CB LYS A 30 -7.091 18.992 9.911 1.00 74.50 C ATOM 453 CG LYS A 30 -6.217 19.711 10.922 1.00 62.44 C ATOM 454 CD LYS A 30 -6.959 20.861 11.585 1.00 11.05 C ATOM 455 CE LYS A 30 -7.974 20.358 12.599 1.00 52.24 C ATOM 456 NZ LYS A 30 -7.441 20.406 13.988 1.00 41.00 N ATOM 0 H LYS A 30 -8.097 19.630 7.287 1.00 4.25 H new ATOM 0 HA LYS A 30 -5.458 19.264 8.538 1.00 12.12 H new ATOM 0 HB2 LYS A 30 -8.072 19.466 9.889 1.00 74.50 H new ATOM 0 HB3 LYS A 30 -7.241 17.964 10.240 1.00 74.50 H new ATOM 0 HG2 LYS A 30 -5.884 19.005 11.683 1.00 62.44 H new ATOM 0 HG3 LYS A 30 -5.324 20.091 10.427 1.00 62.44 H new ATOM 0 HD2 LYS A 30 -6.245 21.519 12.079 1.00 11.05 H new ATOM 0 HD3 LYS A 30 -7.466 21.455 10.825 1.00 11.05 H new ATOM 0 HE2 LYS A 30 -8.879 20.962 12.536 1.00 52.24 H new ATOM 0 HE3 LYS A 30 -8.256 19.334 12.353 1.00 52.24 H new ATOM 0 HZ1 LYS A 30 -8.163 20.055 14.649 1.00 41.00 H new ATOM 0 HZ2 LYS A 30 -6.591 19.810 14.055 1.00 41.00 H new ATOM 0 HZ3 LYS A 30 -7.196 21.387 14.232 1.00 41.00 H new ATOM 470 N LEU A 31 -5.820 16.659 8.436 1.00 54.20 N ATOM 471 CA LEU A 31 -5.823 15.280 7.960 1.00 64.13 C ATOM 472 C LEU A 31 -7.244 14.728 7.895 1.00 25.54 C ATOM 473 O LEU A 31 -7.599 14.009 6.961 1.00 52.40 O ATOM 474 CB LEU A 31 -4.965 14.402 8.874 1.00 24.12 C ATOM 475 CG LEU A 31 -3.452 14.502 8.673 1.00 51.42 C ATOM 476 CD1 LEU A 31 -2.722 14.208 9.974 1.00 44.42 C ATOM 477 CD2 LEU A 31 -2.997 13.551 7.576 1.00 62.03 C ATOM 0 H LEU A 31 -5.168 16.840 9.199 1.00 54.20 H new ATOM 0 HA LEU A 31 -5.402 15.269 6.955 1.00 64.13 H new ATOM 0 HB2 LEU A 31 -5.192 14.659 9.909 1.00 24.12 H new ATOM 0 HB3 LEU A 31 -5.263 13.363 8.731 1.00 24.12 H new ATOM 0 HG LEU A 31 -3.210 15.520 8.367 1.00 51.42 H new ATOM 0 HD11 LEU A 31 -1.647 14.284 9.813 1.00 44.42 H new ATOM 0 HD12 LEU A 31 -3.027 14.929 10.733 1.00 44.42 H new ATOM 0 HD13 LEU A 31 -2.969 13.201 10.310 1.00 44.42 H new ATOM 0 HD21 LEU A 31 -1.918 13.635 7.446 1.00 62.03 H new ATOM 0 HD22 LEU A 31 -3.251 12.528 7.853 1.00 62.03 H new ATOM 0 HD23 LEU A 31 -3.496 13.808 6.642 1.00 62.03 H new ATOM 489 N LYS A 32 -8.052 15.073 8.890 1.00 72.50 N ATOM 490 CA LYS A 32 -9.437 14.617 8.945 1.00 45.04 C ATOM 491 C LYS A 32 -10.121 14.792 7.593 1.00 73.20 C ATOM 492 O LYS A 32 -10.697 13.848 7.050 1.00 63.12 O ATOM 493 CB LYS A 32 -10.206 15.386 10.022 1.00 52.34 C ATOM 494 CG LYS A 32 -10.590 14.534 11.219 1.00 54.54 C ATOM 495 CD LYS A 32 -10.101 15.148 12.520 1.00 74.24 C ATOM 496 CE LYS A 32 -10.403 14.248 13.710 1.00 20.13 C ATOM 497 NZ LYS A 32 -9.193 13.514 14.171 1.00 24.33 N ATOM 0 H LYS A 32 -7.773 15.667 9.671 1.00 72.50 H new ATOM 0 HA LYS A 32 -9.435 13.556 9.196 1.00 45.04 H new ATOM 0 HB2 LYS A 32 -9.598 16.224 10.363 1.00 52.34 H new ATOM 0 HB3 LYS A 32 -11.110 15.807 9.581 1.00 52.34 H new ATOM 0 HG2 LYS A 32 -11.674 14.421 11.254 1.00 54.54 H new ATOM 0 HG3 LYS A 32 -10.169 13.535 11.106 1.00 54.54 H new ATOM 0 HD2 LYS A 32 -9.027 15.324 12.459 1.00 74.24 H new ATOM 0 HD3 LYS A 32 -10.576 16.118 12.667 1.00 74.24 H new ATOM 0 HE2 LYS A 32 -10.797 14.849 14.529 1.00 20.13 H new ATOM 0 HE3 LYS A 32 -11.179 13.533 13.437 1.00 20.13 H new ATOM 0 HZ1 LYS A 32 -9.440 12.912 14.982 1.00 24.33 H new ATOM 0 HZ2 LYS A 32 -8.831 12.921 13.397 1.00 24.33 H new ATOM 0 HZ3 LYS A 32 -8.461 14.196 14.456 1.00 24.33 H new ATOM 511 N HIS A 33 -10.055 16.005 7.054 1.00 64.12 N ATOM 512 CA HIS A 33 -10.666 16.304 5.764 1.00 2.11 C ATOM 513 C HIS A 33 -10.118 15.382 4.678 1.00 72.30 C ATOM 514 O HIS A 33 -10.882 15.071 3.763 1.00 15.54 O ATOM 515 CB HIS A 33 -10.417 17.764 5.382 1.00 4.41 C ATOM 516 CG HIS A 33 -10.782 18.736 6.463 1.00 43.30 C ATOM 517 ND1 HIS A 33 -9.941 19.746 6.881 1.00 0.53 N ATOM 518 CD2 HIS A 33 -11.903 18.847 7.212 1.00 3.34 C ATOM 519 CE1 HIS A 33 -10.530 20.436 7.841 1.00 15.21 C ATOM 520 NE2 HIS A 33 -11.724 19.912 8.059 1.00 45.44 N ATOM 0 H HIS A 33 -9.584 16.797 7.491 1.00 64.12 H new ATOM 0 HA HIS A 33 -11.740 16.138 5.852 1.00 2.11 H new ATOM 0 HB2 HIS A 33 -9.364 17.891 5.131 1.00 4.41 H new ATOM 0 HB3 HIS A 33 -10.989 17.999 4.485 1.00 4.41 H new ATOM 0 HD2 HIS A 33 -12.777 18.215 7.154 1.00 3.34 H new ATOM 0 HE1 HIS A 33 -10.108 21.284 8.360 1.00 15.21 H new ATOM 0 HE2 HIS A 33 -12.402 20.245 8.745 1.00 45.44 H new ATOM 528 N ILE A 34 -8.864 14.953 4.751 1.00 24.31 N ATOM 529 CA ILE A 34 -8.297 14.071 3.738 1.00 32.24 C ATOM 530 C ILE A 34 -8.841 12.654 3.878 1.00 45.32 C ATOM 531 O ILE A 34 -9.594 12.178 3.028 1.00 52.03 O ATOM 532 CB ILE A 34 -6.761 14.031 3.820 1.00 64.41 C ATOM 533 CG1 ILE A 34 -6.191 15.452 3.831 1.00 12.44 C ATOM 534 CG2 ILE A 34 -6.187 13.234 2.659 1.00 12.54 C ATOM 535 CD1 ILE A 34 -4.697 15.502 4.065 1.00 21.04 C ATOM 0 H ILE A 34 -8.220 15.202 5.502 1.00 24.31 H new ATOM 0 HA ILE A 34 -8.588 14.476 2.769 1.00 32.24 H new ATOM 0 HB ILE A 34 -6.476 13.538 4.749 1.00 64.41 H new ATOM 0 HG12 ILE A 34 -6.418 15.933 2.880 1.00 12.44 H new ATOM 0 HG13 ILE A 34 -6.692 16.030 4.608 1.00 12.44 H new ATOM 0 HG21 ILE A 34 -5.100 13.216 2.732 1.00 12.54 H new ATOM 0 HG22 ILE A 34 -6.570 12.214 2.693 1.00 12.54 H new ATOM 0 HG23 ILE A 34 -6.479 13.700 1.718 1.00 12.54 H new ATOM 0 HD11 ILE A 34 -4.362 16.539 4.060 1.00 21.04 H new ATOM 0 HD12 ILE A 34 -4.464 15.050 5.029 1.00 21.04 H new ATOM 0 HD13 ILE A 34 -4.186 14.952 3.274 1.00 21.04 H new ATOM 547 N VAL A 35 -8.455 11.982 4.958 1.00 65.12 N ATOM 548 CA VAL A 35 -8.905 10.619 5.212 1.00 44.35 C ATOM 549 C VAL A 35 -10.417 10.501 5.058 1.00 63.52 C ATOM 550 O VAL A 35 -10.928 9.472 4.619 1.00 72.12 O ATOM 551 CB VAL A 35 -8.505 10.150 6.625 1.00 62.40 C ATOM 552 CG1 VAL A 35 -9.025 8.746 6.888 1.00 12.41 C ATOM 553 CG2 VAL A 35 -6.995 10.211 6.799 1.00 12.30 C ATOM 0 H VAL A 35 -7.831 12.360 5.671 1.00 65.12 H new ATOM 0 HA VAL A 35 -8.417 9.982 4.474 1.00 44.35 H new ATOM 0 HB VAL A 35 -8.958 10.821 7.354 1.00 62.40 H new ATOM 0 HG11 VAL A 35 -8.733 8.432 7.890 1.00 12.41 H new ATOM 0 HG12 VAL A 35 -10.112 8.740 6.808 1.00 12.41 H new ATOM 0 HG13 VAL A 35 -8.603 8.059 6.155 1.00 12.41 H new ATOM 0 HG21 VAL A 35 -6.731 9.876 7.802 1.00 12.30 H new ATOM 0 HG22 VAL A 35 -6.518 9.564 6.063 1.00 12.30 H new ATOM 0 HG23 VAL A 35 -6.653 11.236 6.657 1.00 12.30 H new ATOM 563 N TRP A 36 -11.126 11.564 5.423 1.00 13.32 N ATOM 564 CA TRP A 36 -12.582 11.580 5.325 1.00 22.03 C ATOM 565 C TRP A 36 -13.034 11.295 3.897 1.00 72.42 C ATOM 566 O TRP A 36 -13.721 10.307 3.639 1.00 33.21 O ATOM 567 CB TRP A 36 -13.129 12.931 5.787 1.00 51.11 C ATOM 568 CG TRP A 36 -14.614 13.055 5.630 1.00 75.01 C ATOM 569 CD1 TRP A 36 -15.568 12.664 6.525 1.00 73.05 C ATOM 570 CD2 TRP A 36 -15.315 13.605 4.509 1.00 63.33 C ATOM 571 NE1 TRP A 36 -16.820 12.939 6.030 1.00 21.34 N ATOM 572 CE2 TRP A 36 -16.692 13.517 4.794 1.00 11.13 C ATOM 573 CE3 TRP A 36 -14.914 14.167 3.294 1.00 42.52 C ATOM 574 CZ2 TRP A 36 -17.665 13.967 3.907 1.00 12.03 C ATOM 575 CZ3 TRP A 36 -15.881 14.612 2.414 1.00 32.30 C ATOM 576 CH2 TRP A 36 -17.244 14.511 2.724 1.00 22.51 C ATOM 0 H TRP A 36 -10.718 12.424 5.789 1.00 13.32 H new ATOM 0 HA TRP A 36 -12.974 10.796 5.973 1.00 22.03 H new ATOM 0 HB2 TRP A 36 -12.868 13.082 6.834 1.00 51.11 H new ATOM 0 HB3 TRP A 36 -12.643 13.725 5.220 1.00 51.11 H new ATOM 0 HD1 TRP A 36 -15.368 12.206 7.482 1.00 73.05 H new ATOM 0 HE1 TRP A 36 -17.701 12.745 6.505 1.00 21.34 H new ATOM 0 HE3 TRP A 36 -13.866 14.252 3.047 1.00 42.52 H new ATOM 0 HZ2 TRP A 36 -18.716 13.890 4.144 1.00 12.03 H new ATOM 0 HZ3 TRP A 36 -15.582 15.045 1.471 1.00 32.30 H new ATOM 0 HH2 TRP A 36 -17.976 14.869 2.016 1.00 22.51 H new ATOM 587 N ALA A 37 -12.645 12.167 2.973 1.00 31.34 N ATOM 588 CA ALA A 37 -13.009 12.007 1.571 1.00 33.15 C ATOM 589 C ALA A 37 -12.662 10.609 1.069 1.00 13.02 C ATOM 590 O ALA A 37 -13.364 10.050 0.226 1.00 3.40 O ATOM 591 CB ALA A 37 -12.315 13.062 0.722 1.00 32.14 C ATOM 0 H ALA A 37 -12.078 12.991 3.170 1.00 31.34 H new ATOM 0 HA ALA A 37 -14.088 12.138 1.484 1.00 33.15 H new ATOM 0 HB1 ALA A 37 -12.596 12.931 -0.323 1.00 32.14 H new ATOM 0 HB2 ALA A 37 -12.616 14.055 1.057 1.00 32.14 H new ATOM 0 HB3 ALA A 37 -11.235 12.958 0.823 1.00 32.14 H new ATOM 597 N SER A 38 -11.575 10.051 1.592 1.00 12.35 N ATOM 598 CA SER A 38 -11.132 8.720 1.193 1.00 53.24 C ATOM 599 C SER A 38 -12.164 7.666 1.582 1.00 1.24 C ATOM 600 O SER A 38 -12.410 6.718 0.836 1.00 15.14 O ATOM 601 CB SER A 38 -9.784 8.393 1.840 1.00 33.42 C ATOM 602 OG SER A 38 -9.762 7.062 2.326 1.00 12.12 O ATOM 0 H SER A 38 -10.985 10.500 2.293 1.00 12.35 H new ATOM 0 HA SER A 38 -11.019 8.711 0.109 1.00 53.24 H new ATOM 0 HB2 SER A 38 -8.985 8.531 1.112 1.00 33.42 H new ATOM 0 HB3 SER A 38 -9.592 9.086 2.659 1.00 33.42 H new ATOM 0 HG SER A 38 -8.890 6.877 2.733 1.00 12.12 H new ATOM 608 N ARG A 39 -12.765 7.838 2.754 1.00 73.12 N ATOM 609 CA ARG A 39 -13.770 6.902 3.243 1.00 12.41 C ATOM 610 C ARG A 39 -15.062 7.024 2.442 1.00 12.13 C ATOM 611 O ARG A 39 -15.890 6.113 2.440 1.00 22.25 O ATOM 612 CB ARG A 39 -14.051 7.151 4.726 1.00 54.41 C ATOM 613 CG ARG A 39 -13.771 5.947 5.610 1.00 15.31 C ATOM 614 CD ARG A 39 -12.869 6.311 6.779 1.00 2.55 C ATOM 615 NE ARG A 39 -13.200 5.554 7.983 1.00 12.44 N ATOM 616 CZ ARG A 39 -12.851 5.930 9.208 1.00 23.24 C ATOM 617 NH1 ARG A 39 -12.163 7.050 9.389 1.00 40.41 N ATOM 618 NH2 ARG A 39 -13.189 5.188 10.253 1.00 43.34 N ATOM 0 H ARG A 39 -12.573 8.618 3.383 1.00 73.12 H new ATOM 0 HA ARG A 39 -13.380 5.892 3.119 1.00 12.41 H new ATOM 0 HB2 ARG A 39 -13.444 7.990 5.066 1.00 54.41 H new ATOM 0 HB3 ARG A 39 -15.094 7.444 4.845 1.00 54.41 H new ATOM 0 HG2 ARG A 39 -14.711 5.544 5.986 1.00 15.31 H new ATOM 0 HG3 ARG A 39 -13.302 5.161 5.018 1.00 15.31 H new ATOM 0 HD2 ARG A 39 -11.830 6.123 6.507 1.00 2.55 H new ATOM 0 HD3 ARG A 39 -12.957 7.378 6.986 1.00 2.55 H new ATOM 0 HE ARG A 39 -13.729 4.688 7.877 1.00 12.44 H new ATOM 0 HH11 ARG A 39 -11.902 7.623 8.587 1.00 40.41 H new ATOM 0 HH12 ARG A 39 -11.896 7.338 10.330 1.00 40.41 H new ATOM 0 HH21 ARG A 39 -13.718 4.327 10.117 1.00 43.34 H new ATOM 0 HH22 ARG A 39 -12.920 5.478 11.193 1.00 43.34 H new ATOM 632 N GLU A 40 -15.228 8.155 1.763 1.00 42.52 N ATOM 633 CA GLU A 40 -16.421 8.396 0.960 1.00 11.43 C ATOM 634 C GLU A 40 -16.214 7.922 -0.476 1.00 13.32 C ATOM 635 O GLU A 40 -17.139 7.419 -1.115 1.00 0.23 O ATOM 636 CB GLU A 40 -16.778 9.883 0.971 1.00 35.44 C ATOM 637 CG GLU A 40 -18.268 10.150 1.107 1.00 54.23 C ATOM 638 CD GLU A 40 -18.834 9.642 2.419 1.00 75.45 C ATOM 639 OE1 GLU A 40 -19.195 8.449 2.486 1.00 14.41 O ATOM 640 OE2 GLU A 40 -18.916 10.437 3.378 1.00 30.21 O ATOM 0 H GLU A 40 -14.552 8.918 1.753 1.00 42.52 H new ATOM 0 HA GLU A 40 -17.243 7.829 1.397 1.00 11.43 H new ATOM 0 HB2 GLU A 40 -16.254 10.368 1.795 1.00 35.44 H new ATOM 0 HB3 GLU A 40 -16.418 10.341 0.050 1.00 35.44 H new ATOM 0 HG2 GLU A 40 -18.450 11.222 1.028 1.00 54.23 H new ATOM 0 HG3 GLU A 40 -18.795 9.675 0.280 1.00 54.23 H new ATOM 647 N LEU A 41 -14.995 8.087 -0.977 1.00 25.21 N ATOM 648 CA LEU A 41 -14.665 7.677 -2.338 1.00 25.11 C ATOM 649 C LEU A 41 -14.884 6.180 -2.524 1.00 51.14 C ATOM 650 O LEU A 41 -15.400 5.742 -3.552 1.00 2.21 O ATOM 651 CB LEU A 41 -13.213 8.036 -2.662 1.00 32.01 C ATOM 652 CG LEU A 41 -12.931 9.514 -2.934 1.00 35.11 C ATOM 653 CD1 LEU A 41 -11.454 9.819 -2.748 1.00 11.52 C ATOM 654 CD2 LEU A 41 -13.385 9.894 -4.337 1.00 44.34 C ATOM 0 H LEU A 41 -14.219 8.502 -0.462 1.00 25.21 H new ATOM 0 HA LEU A 41 -15.326 8.210 -3.022 1.00 25.11 H new ATOM 0 HB2 LEU A 41 -12.586 7.714 -1.830 1.00 32.01 H new ATOM 0 HB3 LEU A 41 -12.904 7.461 -3.535 1.00 32.01 H new ATOM 0 HG LEU A 41 -13.496 10.110 -2.217 1.00 35.11 H new ATOM 0 HD11 LEU A 41 -11.273 10.875 -2.946 1.00 11.52 H new ATOM 0 HD12 LEU A 41 -11.160 9.586 -1.724 1.00 11.52 H new ATOM 0 HD13 LEU A 41 -10.868 9.215 -3.440 1.00 11.52 H new ATOM 0 HD21 LEU A 41 -13.177 10.949 -4.514 1.00 44.34 H new ATOM 0 HD22 LEU A 41 -12.848 9.291 -5.069 1.00 44.34 H new ATOM 0 HD23 LEU A 41 -14.456 9.714 -4.434 1.00 44.34 H new ATOM 666 N GLU A 42 -14.492 5.400 -1.521 1.00 43.23 N ATOM 667 CA GLU A 42 -14.647 3.952 -1.575 1.00 54.30 C ATOM 668 C GLU A 42 -16.109 3.568 -1.787 1.00 72.35 C ATOM 669 O GLU A 42 -16.414 2.473 -2.259 1.00 25.03 O ATOM 670 CB GLU A 42 -14.123 3.312 -0.287 1.00 4.23 C ATOM 671 CG GLU A 42 -14.492 1.845 -0.141 1.00 11.15 C ATOM 672 CD GLU A 42 -13.498 1.075 0.705 1.00 4.12 C ATOM 673 OE1 GLU A 42 -12.900 1.681 1.618 1.00 22.23 O ATOM 674 OE2 GLU A 42 -13.319 -0.135 0.454 1.00 43.54 O ATOM 0 H GLU A 42 -14.065 5.747 -0.662 1.00 43.23 H new ATOM 0 HA GLU A 42 -14.066 3.582 -2.420 1.00 54.30 H new ATOM 0 HB2 GLU A 42 -13.038 3.409 -0.259 1.00 4.23 H new ATOM 0 HB3 GLU A 42 -14.515 3.863 0.568 1.00 4.23 H new ATOM 0 HG2 GLU A 42 -15.483 1.766 0.307 1.00 11.15 H new ATOM 0 HG3 GLU A 42 -14.552 1.389 -1.129 1.00 11.15 H new ATOM 681 N ARG A 43 -17.011 4.479 -1.432 1.00 43.12 N ATOM 682 CA ARG A 43 -18.440 4.237 -1.581 1.00 72.32 C ATOM 683 C ARG A 43 -18.932 4.703 -2.948 1.00 23.55 C ATOM 684 O ARG A 43 -19.994 4.291 -3.412 1.00 53.43 O ATOM 685 CB ARG A 43 -19.218 4.955 -0.477 1.00 52.24 C ATOM 686 CG ARG A 43 -20.537 4.283 -0.126 1.00 70.24 C ATOM 687 CD ARG A 43 -21.319 5.092 0.897 1.00 42.13 C ATOM 688 NE ARG A 43 -21.677 4.296 2.068 1.00 3.53 N ATOM 689 CZ ARG A 43 -22.456 4.739 3.048 1.00 13.32 C ATOM 690 NH1 ARG A 43 -22.957 5.964 2.999 1.00 25.41 N ATOM 691 NH2 ARG A 43 -22.736 3.953 4.080 1.00 75.33 N ATOM 0 H ARG A 43 -16.776 5.391 -1.039 1.00 43.12 H new ATOM 0 HA ARG A 43 -18.611 3.164 -1.499 1.00 72.32 H new ATOM 0 HB2 ARG A 43 -18.598 5.008 0.418 1.00 52.24 H new ATOM 0 HB3 ARG A 43 -19.414 5.980 -0.790 1.00 52.24 H new ATOM 0 HG2 ARG A 43 -21.135 4.160 -1.029 1.00 70.24 H new ATOM 0 HG3 ARG A 43 -20.345 3.285 0.268 1.00 70.24 H new ATOM 0 HD2 ARG A 43 -20.725 5.951 1.210 1.00 42.13 H new ATOM 0 HD3 ARG A 43 -22.225 5.483 0.434 1.00 42.13 H new ATOM 0 HE ARG A 43 -21.308 3.347 2.137 1.00 3.53 H new ATOM 0 HH11 ARG A 43 -22.745 6.570 2.207 1.00 25.41 H new ATOM 0 HH12 ARG A 43 -23.555 6.301 3.753 1.00 25.41 H new ATOM 0 HH21 ARG A 43 -22.353 3.009 4.120 1.00 75.33 H new ATOM 0 HH22 ARG A 43 -23.334 4.293 4.833 1.00 75.33 H new ATOM 705 N PHE A 44 -18.149 5.566 -3.589 1.00 14.21 N ATOM 706 CA PHE A 44 -18.505 6.090 -4.903 1.00 42.12 C ATOM 707 C PHE A 44 -17.835 5.282 -6.011 1.00 62.14 C ATOM 708 O PHE A 44 -17.614 5.783 -7.112 1.00 62.04 O ATOM 709 CB PHE A 44 -18.102 7.561 -5.015 1.00 73.41 C ATOM 710 CG PHE A 44 -18.749 8.440 -3.982 1.00 40.42 C ATOM 711 CD1 PHE A 44 -20.119 8.397 -3.776 1.00 4.14 C ATOM 712 CD2 PHE A 44 -17.987 9.309 -3.218 1.00 51.41 C ATOM 713 CE1 PHE A 44 -20.716 9.205 -2.828 1.00 52.55 C ATOM 714 CE2 PHE A 44 -18.579 10.119 -2.267 1.00 10.01 C ATOM 715 CZ PHE A 44 -19.946 10.066 -2.071 1.00 61.14 C ATOM 0 H PHE A 44 -17.265 5.917 -3.220 1.00 14.21 H new ATOM 0 HA PHE A 44 -19.586 6.006 -5.019 1.00 42.12 H new ATOM 0 HB2 PHE A 44 -17.019 7.641 -4.922 1.00 73.41 H new ATOM 0 HB3 PHE A 44 -18.364 7.927 -6.008 1.00 73.41 H new ATOM 0 HD1 PHE A 44 -20.726 7.724 -4.363 1.00 4.14 H new ATOM 0 HD2 PHE A 44 -16.918 9.354 -3.367 1.00 51.41 H new ATOM 0 HE1 PHE A 44 -21.785 9.163 -2.679 1.00 52.55 H new ATOM 0 HE2 PHE A 44 -17.974 10.792 -1.678 1.00 10.01 H new ATOM 0 HZ PHE A 44 -20.411 10.696 -1.328 1.00 61.14 H new ATOM 725 N ALA A 45 -17.513 4.029 -5.708 1.00 13.43 N ATOM 726 CA ALA A 45 -16.870 3.150 -6.677 1.00 43.21 C ATOM 727 C ALA A 45 -15.496 3.681 -7.072 1.00 43.25 C ATOM 728 O ALA A 45 -14.962 3.331 -8.124 1.00 15.23 O ATOM 729 CB ALA A 45 -17.748 2.988 -7.908 1.00 53.33 C ATOM 0 H ALA A 45 -17.687 3.600 -4.799 1.00 13.43 H new ATOM 0 HA ALA A 45 -16.734 2.174 -6.211 1.00 43.21 H new ATOM 0 HB1 ALA A 45 -17.255 2.329 -8.623 1.00 53.33 H new ATOM 0 HB2 ALA A 45 -18.706 2.556 -7.618 1.00 53.33 H new ATOM 0 HB3 ALA A 45 -17.914 3.962 -8.368 1.00 53.33 H new ATOM 735 N VAL A 46 -14.927 4.530 -6.221 1.00 15.21 N ATOM 736 CA VAL A 46 -13.616 5.110 -6.481 1.00 44.32 C ATOM 737 C VAL A 46 -12.617 4.718 -5.398 1.00 71.04 C ATOM 738 O VAL A 46 -12.833 4.982 -4.216 1.00 3.22 O ATOM 739 CB VAL A 46 -13.688 6.646 -6.566 1.00 41.30 C ATOM 740 CG1 VAL A 46 -12.298 7.237 -6.751 1.00 13.31 C ATOM 741 CG2 VAL A 46 -14.612 7.073 -7.696 1.00 23.33 C ATOM 0 H VAL A 46 -15.355 4.831 -5.345 1.00 15.21 H new ATOM 0 HA VAL A 46 -13.281 4.716 -7.440 1.00 44.32 H new ATOM 0 HB VAL A 46 -14.096 7.026 -5.629 1.00 41.30 H new ATOM 0 HG11 VAL A 46 -12.369 8.323 -6.809 1.00 13.31 H new ATOM 0 HG12 VAL A 46 -11.669 6.959 -5.905 1.00 13.31 H new ATOM 0 HG13 VAL A 46 -11.859 6.853 -7.672 1.00 13.31 H new ATOM 0 HG21 VAL A 46 -14.652 8.161 -7.742 1.00 23.33 H new ATOM 0 HG22 VAL A 46 -14.235 6.683 -8.641 1.00 23.33 H new ATOM 0 HG23 VAL A 46 -15.613 6.681 -7.515 1.00 23.33 H new ATOM 751 N ASN A 47 -11.522 4.086 -5.810 1.00 35.45 N ATOM 752 CA ASN A 47 -10.489 3.658 -4.874 1.00 3.14 C ATOM 753 C ASN A 47 -9.844 4.859 -4.189 1.00 3.12 C ATOM 754 O ASN A 47 -9.557 5.881 -4.812 1.00 2.41 O ATOM 755 CB ASN A 47 -9.421 2.837 -5.602 1.00 75.24 C ATOM 756 CG ASN A 47 -9.887 1.428 -5.910 1.00 54.50 C ATOM 757 OD1 ASN A 47 -10.455 1.168 -6.971 1.00 23.04 O ATOM 758 ND2 ASN A 47 -9.649 0.509 -4.982 1.00 72.35 N ATOM 0 H ASN A 47 -11.328 3.859 -6.785 1.00 35.45 H new ATOM 0 HA ASN A 47 -10.959 3.037 -4.112 1.00 3.14 H new ATOM 0 HB2 ASN A 47 -9.151 3.339 -6.531 1.00 75.24 H new ATOM 0 HB3 ASN A 47 -8.520 2.793 -4.990 1.00 75.24 H new ATOM 0 HD21 ASN A 47 -9.940 -0.457 -5.134 1.00 72.35 H new ATOM 0 HD22 ASN A 47 -9.175 0.769 -4.117 1.00 72.35 H new ATOM 765 N PRO A 48 -9.608 4.734 -2.874 1.00 33.31 N ATOM 766 CA PRO A 48 -8.994 5.798 -2.076 1.00 51.04 C ATOM 767 C PRO A 48 -7.522 6.004 -2.419 1.00 12.41 C ATOM 768 O PRO A 48 -6.885 6.935 -1.928 1.00 4.15 O ATOM 769 CB PRO A 48 -9.142 5.293 -0.638 1.00 71.23 C ATOM 770 CG PRO A 48 -9.223 3.811 -0.764 1.00 72.14 C ATOM 771 CD PRO A 48 -9.925 3.544 -2.066 1.00 24.03 C ATOM 0 HA PRO A 48 -9.465 6.765 -2.254 1.00 51.04 H new ATOM 0 HB2 PRO A 48 -8.293 5.592 -0.024 1.00 71.23 H new ATOM 0 HB3 PRO A 48 -10.036 5.700 -0.166 1.00 71.23 H new ATOM 0 HG2 PRO A 48 -8.229 3.364 -0.758 1.00 72.14 H new ATOM 0 HG3 PRO A 48 -9.773 3.378 0.072 1.00 72.14 H new ATOM 0 HD2 PRO A 48 -9.564 2.630 -2.537 1.00 24.03 H new ATOM 0 HD3 PRO A 48 -11.000 3.427 -1.927 1.00 24.03 H new ATOM 779 N GLY A 49 -6.988 5.128 -3.264 1.00 33.04 N ATOM 780 CA GLY A 49 -5.595 5.231 -3.658 1.00 33.35 C ATOM 781 C GLY A 49 -5.371 6.290 -4.720 1.00 1.13 C ATOM 782 O GLY A 49 -4.233 6.566 -5.101 1.00 63.43 O ATOM 0 H GLY A 49 -7.495 4.349 -3.683 1.00 33.04 H new ATOM 0 HA2 GLY A 49 -4.989 5.464 -2.783 1.00 33.35 H new ATOM 0 HA3 GLY A 49 -5.254 4.266 -4.033 1.00 33.35 H new ATOM 786 N LEU A 50 -6.457 6.884 -5.200 1.00 14.34 N ATOM 787 CA LEU A 50 -6.374 7.918 -6.226 1.00 73.30 C ATOM 788 C LEU A 50 -6.048 9.274 -5.607 1.00 12.42 C ATOM 789 O LEU A 50 -6.042 10.297 -6.294 1.00 50.31 O ATOM 790 CB LEU A 50 -7.690 8.002 -7.001 1.00 75.30 C ATOM 791 CG LEU A 50 -8.148 6.715 -7.688 1.00 51.12 C ATOM 792 CD1 LEU A 50 -9.507 6.913 -8.341 1.00 34.00 C ATOM 793 CD2 LEU A 50 -7.121 6.264 -8.717 1.00 61.44 C ATOM 0 H LEU A 50 -7.406 6.668 -4.895 1.00 14.34 H new ATOM 0 HA LEU A 50 -5.571 7.650 -6.913 1.00 73.30 H new ATOM 0 HB2 LEU A 50 -8.473 8.322 -6.314 1.00 75.30 H new ATOM 0 HB3 LEU A 50 -7.593 8.780 -7.758 1.00 75.30 H new ATOM 0 HG LEU A 50 -8.241 5.936 -6.931 1.00 51.12 H new ATOM 0 HD11 LEU A 50 -9.817 5.987 -8.825 1.00 34.00 H new ATOM 0 HD12 LEU A 50 -10.239 7.188 -7.582 1.00 34.00 H new ATOM 0 HD13 LEU A 50 -9.441 7.707 -9.085 1.00 34.00 H new ATOM 0 HD21 LEU A 50 -7.464 5.347 -9.196 1.00 61.44 H new ATOM 0 HD22 LEU A 50 -6.995 7.041 -9.471 1.00 61.44 H new ATOM 0 HD23 LEU A 50 -6.167 6.080 -8.223 1.00 61.44 H new ATOM 805 N LEU A 51 -5.774 9.274 -4.307 1.00 34.02 N ATOM 806 CA LEU A 51 -5.444 10.505 -3.595 1.00 13.45 C ATOM 807 C LEU A 51 -3.934 10.663 -3.455 1.00 63.01 C ATOM 808 O LEU A 51 -3.448 11.709 -3.025 1.00 13.41 O ATOM 809 CB LEU A 51 -6.100 10.509 -2.214 1.00 3.20 C ATOM 810 CG LEU A 51 -7.628 10.460 -2.195 1.00 13.24 C ATOM 811 CD1 LEU A 51 -8.131 10.001 -0.836 1.00 54.34 C ATOM 812 CD2 LEU A 51 -8.210 11.821 -2.550 1.00 21.13 C ATOM 0 H LEU A 51 -5.774 8.437 -3.725 1.00 34.02 H new ATOM 0 HA LEU A 51 -5.826 11.346 -4.174 1.00 13.45 H new ATOM 0 HB2 LEU A 51 -5.722 9.655 -1.652 1.00 3.20 H new ATOM 0 HB3 LEU A 51 -5.779 11.406 -1.684 1.00 3.20 H new ATOM 0 HG LEU A 51 -7.958 9.740 -2.943 1.00 13.24 H new ATOM 0 HD11 LEU A 51 -9.221 9.972 -0.842 1.00 54.34 H new ATOM 0 HD12 LEU A 51 -7.743 9.005 -0.622 1.00 54.34 H new ATOM 0 HD13 LEU A 51 -7.790 10.696 -0.068 1.00 54.34 H new ATOM 0 HD21 LEU A 51 -9.299 11.767 -2.532 1.00 21.13 H new ATOM 0 HD22 LEU A 51 -7.871 12.562 -1.826 1.00 21.13 H new ATOM 0 HD23 LEU A 51 -7.878 12.110 -3.547 1.00 21.13 H new ATOM 824 N GLU A 52 -3.197 9.619 -3.823 1.00 32.42 N ATOM 825 CA GLU A 52 -1.742 9.645 -3.739 1.00 32.22 C ATOM 826 C GLU A 52 -1.121 9.845 -5.118 1.00 4.42 C ATOM 827 O GLU A 52 0.030 9.472 -5.355 1.00 52.14 O ATOM 828 CB GLU A 52 -1.223 8.347 -3.117 1.00 44.53 C ATOM 829 CG GLU A 52 -1.276 7.156 -4.058 1.00 23.35 C ATOM 830 CD GLU A 52 -1.491 5.845 -3.330 1.00 44.33 C ATOM 831 OE1 GLU A 52 -1.514 5.857 -2.081 1.00 1.01 O ATOM 832 OE2 GLU A 52 -1.636 4.806 -4.006 1.00 10.44 O ATOM 0 H GLU A 52 -3.584 8.746 -4.182 1.00 32.42 H new ATOM 0 HA GLU A 52 -1.454 10.484 -3.105 1.00 32.22 H new ATOM 0 HB2 GLU A 52 -0.193 8.496 -2.792 1.00 44.53 H new ATOM 0 HB3 GLU A 52 -1.809 8.121 -2.226 1.00 44.53 H new ATOM 0 HG2 GLU A 52 -2.081 7.303 -4.779 1.00 23.35 H new ATOM 0 HG3 GLU A 52 -0.346 7.104 -4.625 1.00 23.35 H new ATOM 839 N THR A 53 -1.890 10.436 -6.027 1.00 10.10 N ATOM 840 CA THR A 53 -1.417 10.684 -7.383 1.00 31.41 C ATOM 841 C THR A 53 -2.259 11.752 -8.072 1.00 34.02 C ATOM 842 O THR A 53 -3.439 11.541 -8.350 1.00 74.15 O ATOM 843 CB THR A 53 -1.443 9.399 -8.232 1.00 11.12 C ATOM 844 OG1 THR A 53 -2.223 9.609 -9.414 1.00 12.13 O ATOM 845 CG2 THR A 53 -2.021 8.238 -7.437 1.00 53.53 C ATOM 0 H THR A 53 -2.843 10.752 -5.848 1.00 10.10 H new ATOM 0 HA THR A 53 -0.388 11.034 -7.299 1.00 31.41 H new ATOM 0 HB THR A 53 -0.419 9.153 -8.512 1.00 11.12 H new ATOM 0 HG1 THR A 53 -2.234 8.788 -9.949 1.00 12.13 H new ATOM 0 HG21 THR A 53 -2.030 7.341 -8.057 1.00 53.53 H new ATOM 0 HG22 THR A 53 -1.409 8.062 -6.553 1.00 53.53 H new ATOM 0 HG23 THR A 53 -3.039 8.478 -7.131 1.00 53.53 H new ATOM 853 N SER A 54 -1.645 12.898 -8.346 1.00 24.44 N ATOM 854 CA SER A 54 -2.339 14.001 -9.000 1.00 15.31 C ATOM 855 C SER A 54 -3.139 13.503 -10.200 1.00 32.45 C ATOM 856 O SER A 54 -4.267 13.938 -10.430 1.00 35.11 O ATOM 857 CB SER A 54 -1.339 15.069 -9.447 1.00 52.52 C ATOM 858 OG SER A 54 -1.906 16.364 -9.367 1.00 62.34 O ATOM 0 H SER A 54 -0.667 13.087 -8.125 1.00 24.44 H new ATOM 0 HA SER A 54 -3.030 14.440 -8.281 1.00 15.31 H new ATOM 0 HB2 SER A 54 -0.447 15.020 -8.823 1.00 52.52 H new ATOM 0 HB3 SER A 54 -1.023 14.870 -10.471 1.00 52.52 H new ATOM 0 HG SER A 54 -1.246 17.028 -9.656 1.00 62.34 H new ATOM 864 N GLU A 55 -2.546 12.589 -10.961 1.00 12.34 N ATOM 865 CA GLU A 55 -3.203 12.032 -12.138 1.00 4.21 C ATOM 866 C GLU A 55 -4.584 11.489 -11.785 1.00 72.44 C ATOM 867 O GLU A 55 -5.531 11.618 -12.559 1.00 1.13 O ATOM 868 CB GLU A 55 -2.346 10.921 -12.749 1.00 13.33 C ATOM 869 CG GLU A 55 -0.954 11.377 -13.152 1.00 12.22 C ATOM 870 CD GLU A 55 -0.823 11.600 -14.647 1.00 42.45 C ATOM 871 OE1 GLU A 55 -1.013 10.628 -15.409 1.00 24.50 O ATOM 872 OE2 GLU A 55 -0.529 12.743 -15.053 1.00 20.23 O ATOM 0 H GLU A 55 -1.612 12.218 -10.784 1.00 12.34 H new ATOM 0 HA GLU A 55 -3.323 12.832 -12.868 1.00 4.21 H new ATOM 0 HB2 GLU A 55 -2.258 10.105 -12.031 1.00 13.33 H new ATOM 0 HB3 GLU A 55 -2.856 10.521 -13.625 1.00 13.33 H new ATOM 0 HG2 GLU A 55 -0.713 12.302 -12.628 1.00 12.22 H new ATOM 0 HG3 GLU A 55 -0.225 10.631 -12.834 1.00 12.22 H new ATOM 879 N GLY A 56 -4.690 10.879 -10.608 1.00 72.03 N ATOM 880 CA GLY A 56 -5.959 10.324 -10.172 1.00 60.23 C ATOM 881 C GLY A 56 -6.909 11.386 -9.654 1.00 22.45 C ATOM 882 O GLY A 56 -8.104 11.356 -9.951 1.00 40.44 O ATOM 0 H GLY A 56 -3.921 10.759 -9.949 1.00 72.03 H new ATOM 0 HA2 GLY A 56 -6.427 9.797 -11.004 1.00 60.23 H new ATOM 0 HA3 GLY A 56 -5.780 9.588 -9.389 1.00 60.23 H new ATOM 886 N CYS A 57 -6.378 12.327 -8.881 1.00 71.03 N ATOM 887 CA CYS A 57 -7.188 13.402 -8.319 1.00 33.33 C ATOM 888 C CYS A 57 -7.978 14.116 -9.412 1.00 11.54 C ATOM 889 O CYS A 57 -9.091 14.586 -9.180 1.00 13.24 O ATOM 890 CB CYS A 57 -6.301 14.403 -7.578 1.00 73.22 C ATOM 891 SG CYS A 57 -6.120 14.062 -5.812 1.00 14.21 S ATOM 0 H CYS A 57 -5.390 12.367 -8.629 1.00 71.03 H new ATOM 0 HA CYS A 57 -7.893 12.962 -7.614 1.00 33.33 H new ATOM 0 HB2 CYS A 57 -5.313 14.408 -8.039 1.00 73.22 H new ATOM 0 HB3 CYS A 57 -6.717 15.403 -7.703 1.00 73.22 H new ATOM 0 HG CYS A 57 -6.852 14.894 -5.132 1.00 14.21 H new ATOM 897 N ARG A 58 -7.392 14.193 -10.603 1.00 33.34 N ATOM 898 CA ARG A 58 -8.041 14.851 -11.731 1.00 25.43 C ATOM 899 C ARG A 58 -9.267 14.067 -12.188 1.00 63.42 C ATOM 900 O ARG A 58 -10.247 14.646 -12.656 1.00 64.41 O ATOM 901 CB ARG A 58 -7.056 15.004 -12.894 1.00 54.44 C ATOM 902 CG ARG A 58 -7.204 16.315 -13.647 1.00 23.03 C ATOM 903 CD ARG A 58 -6.870 16.150 -15.122 1.00 21.31 C ATOM 904 NE ARG A 58 -6.146 17.303 -15.652 1.00 75.53 N ATOM 905 CZ ARG A 58 -5.844 17.454 -16.936 1.00 24.34 C ATOM 906 NH1 ARG A 58 -6.200 16.529 -17.818 1.00 61.30 N ATOM 907 NH2 ARG A 58 -5.184 18.532 -17.342 1.00 50.43 N ATOM 0 H ARG A 58 -6.471 13.808 -10.811 1.00 33.34 H new ATOM 0 HA ARG A 58 -8.366 15.839 -11.405 1.00 25.43 H new ATOM 0 HB2 ARG A 58 -6.039 14.928 -12.510 1.00 54.44 H new ATOM 0 HB3 ARG A 58 -7.197 14.177 -13.590 1.00 54.44 H new ATOM 0 HG2 ARG A 58 -8.225 16.683 -13.543 1.00 23.03 H new ATOM 0 HG3 ARG A 58 -6.548 17.066 -13.206 1.00 23.03 H new ATOM 0 HD2 ARG A 58 -6.270 15.251 -15.259 1.00 21.31 H new ATOM 0 HD3 ARG A 58 -7.790 16.008 -15.688 1.00 21.31 H new ATOM 0 HE ARG A 58 -5.857 18.032 -15.000 1.00 75.53 H new ATOM 0 HH11 ARG A 58 -6.707 15.699 -17.510 1.00 61.30 H new ATOM 0 HH12 ARG A 58 -5.967 16.648 -18.804 1.00 61.30 H new ATOM 0 HH21 ARG A 58 -4.908 19.245 -16.667 1.00 50.43 H new ATOM 0 HH22 ARG A 58 -4.953 18.647 -18.329 1.00 50.43 H new ATOM 921 N GLN A 59 -9.203 12.747 -12.050 1.00 51.22 N ATOM 922 CA GLN A 59 -10.308 11.883 -12.449 1.00 33.02 C ATOM 923 C GLN A 59 -11.449 11.957 -11.440 1.00 10.21 C ATOM 924 O GLN A 59 -12.622 11.876 -11.808 1.00 50.24 O ATOM 925 CB GLN A 59 -9.829 10.438 -12.591 1.00 43.04 C ATOM 926 CG GLN A 59 -10.560 9.657 -13.669 1.00 14.43 C ATOM 927 CD GLN A 59 -10.210 8.181 -13.661 1.00 74.42 C ATOM 928 OE1 GLN A 59 -9.624 7.665 -14.613 1.00 34.14 O ATOM 929 NE2 GLN A 59 -10.569 7.494 -12.583 1.00 51.43 N ATOM 0 H GLN A 59 -8.398 12.252 -11.665 1.00 51.22 H new ATOM 0 HA GLN A 59 -10.678 12.231 -13.414 1.00 33.02 H new ATOM 0 HB2 GLN A 59 -8.762 10.438 -12.815 1.00 43.04 H new ATOM 0 HB3 GLN A 59 -9.954 9.927 -11.636 1.00 43.04 H new ATOM 0 HG2 GLN A 59 -11.635 9.772 -13.530 1.00 14.43 H new ATOM 0 HG3 GLN A 59 -10.318 10.078 -14.645 1.00 14.43 H new ATOM 0 HE21 GLN A 59 -11.053 7.963 -11.817 1.00 51.43 H new ATOM 0 HE22 GLN A 59 -10.361 6.497 -12.521 1.00 51.43 H new ATOM 938 N ILE A 60 -11.098 12.109 -10.168 1.00 62.41 N ATOM 939 CA ILE A 60 -12.092 12.194 -9.106 1.00 74.31 C ATOM 940 C ILE A 60 -13.006 13.400 -9.303 1.00 11.24 C ATOM 941 O ILE A 60 -14.215 13.321 -9.076 1.00 45.42 O ATOM 942 CB ILE A 60 -11.430 12.288 -7.719 1.00 60.53 C ATOM 943 CG1 ILE A 60 -10.427 11.149 -7.531 1.00 41.13 C ATOM 944 CG2 ILE A 60 -12.485 12.259 -6.624 1.00 2.24 C ATOM 945 CD1 ILE A 60 -9.655 11.231 -6.233 1.00 62.52 C ATOM 0 H ILE A 60 -10.132 12.176 -9.848 1.00 62.41 H new ATOM 0 HA ILE A 60 -12.684 11.280 -9.155 1.00 74.31 H new ATOM 0 HB ILE A 60 -10.893 13.234 -7.653 1.00 60.53 H new ATOM 0 HG12 ILE A 60 -10.958 10.198 -7.569 1.00 41.13 H new ATOM 0 HG13 ILE A 60 -9.724 11.154 -8.364 1.00 41.13 H new ATOM 0 HG21 ILE A 60 -12.000 12.326 -5.650 1.00 2.24 H new ATOM 0 HG22 ILE A 60 -13.164 13.102 -6.751 1.00 2.24 H new ATOM 0 HG23 ILE A 60 -13.048 11.328 -6.686 1.00 2.24 H new ATOM 0 HD11 ILE A 60 -8.963 10.391 -6.168 1.00 62.52 H new ATOM 0 HD12 ILE A 60 -9.096 12.166 -6.201 1.00 62.52 H new ATOM 0 HD13 ILE A 60 -10.350 11.195 -5.394 1.00 62.52 H new ATOM 957 N LEU A 61 -12.422 14.514 -9.729 1.00 24.10 N ATOM 958 CA LEU A 61 -13.183 15.737 -9.960 1.00 12.04 C ATOM 959 C LEU A 61 -13.989 15.641 -11.252 1.00 33.02 C ATOM 960 O LEU A 61 -15.146 16.055 -11.306 1.00 22.22 O ATOM 961 CB LEU A 61 -12.244 16.942 -10.020 1.00 64.54 C ATOM 962 CG LEU A 61 -11.519 17.293 -8.721 1.00 70.33 C ATOM 963 CD1 LEU A 61 -10.375 18.258 -8.991 1.00 5.54 C ATOM 964 CD2 LEU A 61 -12.490 17.887 -7.711 1.00 15.30 C ATOM 0 H LEU A 61 -11.424 14.596 -9.922 1.00 24.10 H new ATOM 0 HA LEU A 61 -13.877 15.866 -9.129 1.00 12.04 H new ATOM 0 HB2 LEU A 61 -11.496 16.757 -10.791 1.00 64.54 H new ATOM 0 HB3 LEU A 61 -12.820 17.811 -10.337 1.00 64.54 H new ATOM 0 HG LEU A 61 -11.104 16.376 -8.302 1.00 70.33 H new ATOM 0 HD11 LEU A 61 -9.871 18.496 -8.054 1.00 5.54 H new ATOM 0 HD12 LEU A 61 -9.665 17.798 -9.678 1.00 5.54 H new ATOM 0 HD13 LEU A 61 -10.768 19.173 -9.434 1.00 5.54 H new ATOM 0 HD21 LEU A 61 -11.956 18.131 -6.793 1.00 15.30 H new ATOM 0 HD22 LEU A 61 -12.935 18.793 -8.123 1.00 15.30 H new ATOM 0 HD23 LEU A 61 -13.276 17.164 -7.493 1.00 15.30 H new ATOM 976 N GLY A 62 -13.369 15.089 -12.291 1.00 62.53 N ATOM 977 CA GLY A 62 -14.044 14.947 -13.567 1.00 12.35 C ATOM 978 C GLY A 62 -15.176 13.940 -13.515 1.00 35.23 C ATOM 979 O GLY A 62 -16.088 13.980 -14.340 1.00 12.44 O ATOM 0 H GLY A 62 -12.412 14.738 -12.271 1.00 62.53 H new ATOM 0 HA2 GLY A 62 -14.437 15.915 -13.876 1.00 12.35 H new ATOM 0 HA3 GLY A 62 -13.323 14.639 -14.324 1.00 12.35 H new ATOM 983 N GLN A 63 -15.116 13.034 -12.545 1.00 50.12 N ATOM 984 CA GLN A 63 -16.144 12.010 -12.391 1.00 64.43 C ATOM 985 C GLN A 63 -17.358 12.565 -11.654 1.00 45.24 C ATOM 986 O GLN A 63 -18.489 12.456 -12.128 1.00 51.13 O ATOM 987 CB GLN A 63 -15.582 10.803 -11.638 1.00 23.54 C ATOM 988 CG GLN A 63 -15.254 9.623 -12.540 1.00 60.00 C ATOM 989 CD GLN A 63 -14.504 8.524 -11.812 1.00 24.43 C ATOM 990 OE1 GLN A 63 -14.905 8.094 -10.731 1.00 40.13 O ATOM 991 NE2 GLN A 63 -13.408 8.063 -12.404 1.00 33.15 N ATOM 0 H GLN A 63 -14.367 12.987 -11.854 1.00 50.12 H new ATOM 0 HA GLN A 63 -16.459 11.694 -13.385 1.00 64.43 H new ATOM 0 HB2 GLN A 63 -14.680 11.105 -11.106 1.00 23.54 H new ATOM 0 HB3 GLN A 63 -16.304 10.485 -10.886 1.00 23.54 H new ATOM 0 HG2 GLN A 63 -16.178 9.217 -12.951 1.00 60.00 H new ATOM 0 HG3 GLN A 63 -14.656 9.970 -13.383 1.00 60.00 H new ATOM 0 HE21 GLN A 63 -13.112 8.449 -13.301 1.00 33.15 H new ATOM 0 HE22 GLN A 63 -12.862 7.323 -11.962 1.00 33.15 H new ATOM 1000 N LEU A 64 -17.116 13.158 -10.490 1.00 74.53 N ATOM 1001 CA LEU A 64 -18.191 13.730 -9.685 1.00 44.35 C ATOM 1002 C LEU A 64 -18.776 14.967 -10.357 1.00 3.11 C ATOM 1003 O LEU A 64 -19.948 15.291 -10.170 1.00 13.21 O ATOM 1004 CB LEU A 64 -17.674 14.089 -8.291 1.00 64.14 C ATOM 1005 CG LEU A 64 -17.092 12.936 -7.472 1.00 2.52 C ATOM 1006 CD1 LEU A 64 -16.259 13.468 -6.317 1.00 32.41 C ATOM 1007 CD2 LEU A 64 -18.204 12.032 -6.959 1.00 62.43 C ATOM 0 H LEU A 64 -16.186 13.255 -10.082 1.00 74.53 H new ATOM 0 HA LEU A 64 -18.979 12.983 -9.593 1.00 44.35 H new ATOM 0 HB2 LEU A 64 -16.907 14.856 -8.397 1.00 64.14 H new ATOM 0 HB3 LEU A 64 -18.493 14.533 -7.725 1.00 64.14 H new ATOM 0 HG LEU A 64 -16.442 12.348 -8.120 1.00 2.52 H new ATOM 0 HD11 LEU A 64 -15.853 12.633 -5.746 1.00 32.41 H new ATOM 0 HD12 LEU A 64 -15.440 14.073 -6.707 1.00 32.41 H new ATOM 0 HD13 LEU A 64 -16.885 14.081 -5.669 1.00 32.41 H new ATOM 0 HD21 LEU A 64 -17.772 11.217 -6.378 1.00 62.43 H new ATOM 0 HD22 LEU A 64 -18.880 12.609 -6.327 1.00 62.43 H new ATOM 0 HD23 LEU A 64 -18.758 11.622 -7.803 1.00 62.43 H new ATOM 1019 N GLN A 65 -17.951 15.653 -11.142 1.00 33.51 N ATOM 1020 CA GLN A 65 -18.387 16.854 -11.844 1.00 74.33 C ATOM 1021 C GLN A 65 -19.748 16.638 -12.498 1.00 71.11 C ATOM 1022 O GLN A 65 -20.737 17.289 -12.160 1.00 35.35 O ATOM 1023 CB GLN A 65 -17.358 17.256 -12.902 1.00 62.30 C ATOM 1024 CG GLN A 65 -16.639 18.558 -12.588 1.00 51.44 C ATOM 1025 CD GLN A 65 -15.507 18.847 -13.553 1.00 10.20 C ATOM 1026 OE1 GLN A 65 -14.370 18.425 -13.340 1.00 65.24 O ATOM 1027 NE2 GLN A 65 -15.813 19.569 -14.625 1.00 23.15 N ATOM 0 H GLN A 65 -16.978 15.397 -11.308 1.00 33.51 H new ATOM 0 HA GLN A 65 -18.478 17.658 -11.113 1.00 74.33 H new ATOM 0 HB2 GLN A 65 -16.621 16.459 -13.002 1.00 62.30 H new ATOM 0 HB3 GLN A 65 -17.858 17.350 -13.866 1.00 62.30 H new ATOM 0 HG2 GLN A 65 -17.355 19.380 -12.617 1.00 51.44 H new ATOM 0 HG3 GLN A 65 -16.244 18.515 -11.573 1.00 51.44 H new ATOM 0 HE21 GLN A 65 -16.769 19.899 -14.762 1.00 23.15 H new ATOM 0 HE22 GLN A 65 -15.092 19.794 -15.311 1.00 23.15 H new ATOM 1036 N PRO A 66 -19.803 15.702 -13.457 1.00 23.43 N ATOM 1037 CA PRO A 66 -21.037 15.378 -14.179 1.00 33.51 C ATOM 1038 C PRO A 66 -22.057 14.670 -13.293 1.00 24.44 C ATOM 1039 O PRO A 66 -23.117 14.254 -13.763 1.00 64.45 O ATOM 1040 CB PRO A 66 -20.560 14.448 -15.297 1.00 71.22 C ATOM 1041 CG PRO A 66 -19.307 13.837 -14.772 1.00 22.24 C ATOM 1042 CD PRO A 66 -18.663 14.887 -13.911 1.00 22.51 C ATOM 0 HA PRO A 66 -21.546 16.272 -14.539 1.00 33.51 H new ATOM 0 HB2 PRO A 66 -21.306 13.687 -15.525 1.00 71.22 H new ATOM 0 HB3 PRO A 66 -20.376 14.999 -16.219 1.00 71.22 H new ATOM 0 HG2 PRO A 66 -19.523 12.938 -14.195 1.00 22.24 H new ATOM 0 HG3 PRO A 66 -18.646 13.541 -15.587 1.00 22.24 H new ATOM 0 HD2 PRO A 66 -18.126 14.445 -13.072 1.00 22.51 H new ATOM 0 HD3 PRO A 66 -17.943 15.481 -14.473 1.00 22.51 H new ATOM 1050 N SER A 67 -21.731 14.538 -12.012 1.00 22.15 N ATOM 1051 CA SER A 67 -22.617 13.876 -11.062 1.00 32.04 C ATOM 1052 C SER A 67 -23.090 14.853 -9.989 1.00 30.22 C ATOM 1053 O SER A 67 -23.962 14.532 -9.181 1.00 42.42 O ATOM 1054 CB SER A 67 -21.906 12.689 -10.410 1.00 75.35 C ATOM 1055 OG SER A 67 -22.825 11.661 -10.082 1.00 31.43 O ATOM 0 H SER A 67 -20.860 14.881 -11.608 1.00 22.15 H new ATOM 0 HA SER A 67 -23.488 13.513 -11.608 1.00 32.04 H new ATOM 0 HB2 SER A 67 -21.146 12.299 -11.088 1.00 75.35 H new ATOM 0 HB3 SER A 67 -21.390 13.021 -9.509 1.00 75.35 H new ATOM 0 HG SER A 67 -22.345 10.913 -9.668 1.00 31.43 H new ATOM 1061 N LEU A 68 -22.508 16.047 -9.988 1.00 33.02 N ATOM 1062 CA LEU A 68 -22.868 17.074 -9.016 1.00 52.35 C ATOM 1063 C LEU A 68 -24.348 17.430 -9.124 1.00 61.13 C ATOM 1064 O LEU A 68 -25.080 17.387 -8.136 1.00 64.12 O ATOM 1065 CB LEU A 68 -22.014 18.324 -9.224 1.00 70.51 C ATOM 1066 CG LEU A 68 -20.629 18.306 -8.576 1.00 62.55 C ATOM 1067 CD1 LEU A 68 -19.653 19.153 -9.378 1.00 13.12 C ATOM 1068 CD2 LEU A 68 -20.707 18.799 -7.138 1.00 4.52 C ATOM 0 H LEU A 68 -21.784 16.328 -10.650 1.00 33.02 H new ATOM 0 HA LEU A 68 -22.680 16.677 -8.018 1.00 52.35 H new ATOM 0 HB2 LEU A 68 -21.890 18.481 -10.296 1.00 70.51 H new ATOM 0 HB3 LEU A 68 -22.563 19.183 -8.838 1.00 70.51 H new ATOM 0 HG LEU A 68 -20.266 17.278 -8.569 1.00 62.55 H new ATOM 0 HD11 LEU A 68 -18.673 19.128 -8.902 1.00 13.12 H new ATOM 0 HD12 LEU A 68 -19.574 18.757 -10.391 1.00 13.12 H new ATOM 0 HD13 LEU A 68 -20.011 20.182 -9.417 1.00 13.12 H new ATOM 0 HD21 LEU A 68 -19.713 18.780 -6.692 1.00 4.52 H new ATOM 0 HD22 LEU A 68 -21.091 19.819 -7.123 1.00 4.52 H new ATOM 0 HD23 LEU A 68 -21.373 18.152 -6.567 1.00 4.52 H new ATOM 1080 N GLN A 69 -24.780 17.781 -10.331 1.00 12.10 N ATOM 1081 CA GLN A 69 -26.172 18.144 -10.568 1.00 54.25 C ATOM 1082 C GLN A 69 -27.115 17.130 -9.928 1.00 12.34 C ATOM 1083 O GLN A 69 -28.114 17.498 -9.310 1.00 72.21 O ATOM 1084 CB GLN A 69 -26.448 18.240 -12.069 1.00 50.42 C ATOM 1085 CG GLN A 69 -27.775 18.901 -12.403 1.00 62.43 C ATOM 1086 CD GLN A 69 -28.061 18.919 -13.891 1.00 5.30 C ATOM 1087 OE1 GLN A 69 -27.160 19.125 -14.705 1.00 20.15 O ATOM 1088 NE2 GLN A 69 -29.319 18.702 -14.256 1.00 33.14 N ATOM 0 H GLN A 69 -24.186 17.822 -11.159 1.00 12.10 H new ATOM 0 HA GLN A 69 -26.351 19.117 -10.111 1.00 54.25 H new ATOM 0 HB2 GLN A 69 -25.643 18.801 -12.543 1.00 50.42 H new ATOM 0 HB3 GLN A 69 -26.433 17.238 -12.497 1.00 50.42 H new ATOM 0 HG2 GLN A 69 -28.579 18.373 -11.889 1.00 62.43 H new ATOM 0 HG3 GLN A 69 -27.772 19.923 -12.025 1.00 62.43 H new ATOM 0 HE21 GLN A 69 -30.034 18.536 -13.548 1.00 33.14 H new ATOM 0 HE22 GLN A 69 -29.570 18.702 -15.245 1.00 33.14 H new ATOM 1097 N THR A 70 -26.792 15.850 -10.082 1.00 11.32 N ATOM 1098 CA THR A 70 -27.611 14.782 -9.522 1.00 4.44 C ATOM 1099 C THR A 70 -27.078 14.334 -8.166 1.00 25.24 C ATOM 1100 O THR A 70 -27.092 13.147 -7.844 1.00 0.40 O ATOM 1101 CB THR A 70 -27.669 13.565 -10.465 1.00 21.01 C ATOM 1102 OG1 THR A 70 -27.361 13.968 -11.805 1.00 72.41 O ATOM 1103 CG2 THR A 70 -29.045 12.918 -10.428 1.00 2.20 C ATOM 0 H THR A 70 -25.969 15.527 -10.590 1.00 11.32 H new ATOM 0 HA THR A 70 -28.616 15.186 -9.399 1.00 4.44 H new ATOM 0 HB THR A 70 -26.933 12.836 -10.128 1.00 21.01 H new ATOM 0 HG1 THR A 70 -27.398 13.189 -12.398 1.00 72.41 H new ATOM 0 HG21 THR A 70 -29.062 12.061 -11.101 1.00 2.20 H new ATOM 0 HG22 THR A 70 -29.264 12.586 -9.413 1.00 2.20 H new ATOM 0 HG23 THR A 70 -29.796 13.642 -10.743 1.00 2.20 H new ATOM 1111 N GLY A 71 -26.608 15.293 -7.374 1.00 1.33 N ATOM 1112 CA GLY A 71 -26.077 14.977 -6.060 1.00 31.23 C ATOM 1113 C GLY A 71 -26.439 16.020 -5.022 1.00 33.03 C ATOM 1114 O GLY A 71 -26.619 17.193 -5.347 1.00 35.44 O ATOM 0 H GLY A 71 -26.585 16.283 -7.619 1.00 1.33 H new ATOM 0 HA2 GLY A 71 -26.456 14.006 -5.742 1.00 31.23 H new ATOM 0 HA3 GLY A 71 -24.992 14.891 -6.121 1.00 31.23 H new ATOM 1118 N SER A 72 -26.549 15.591 -3.768 1.00 12.13 N ATOM 1119 CA SER A 72 -26.899 16.495 -2.680 1.00 63.34 C ATOM 1120 C SER A 72 -25.652 17.163 -2.106 1.00 23.12 C ATOM 1121 O SER A 72 -24.589 17.151 -2.726 1.00 52.13 O ATOM 1122 CB SER A 72 -27.638 15.737 -1.576 1.00 10.32 C ATOM 1123 OG SER A 72 -26.738 14.978 -0.788 1.00 53.50 O ATOM 0 H SER A 72 -26.401 14.623 -3.481 1.00 12.13 H new ATOM 0 HA SER A 72 -27.554 17.269 -3.081 1.00 63.34 H new ATOM 0 HB2 SER A 72 -28.175 16.443 -0.942 1.00 10.32 H new ATOM 0 HB3 SER A 72 -28.383 15.077 -2.020 1.00 10.32 H new ATOM 0 HG SER A 72 -27.235 14.504 -0.089 1.00 53.50 H new ATOM 1129 N GLU A 73 -25.792 17.744 -0.919 1.00 13.35 N ATOM 1130 CA GLU A 73 -24.678 18.417 -0.263 1.00 60.05 C ATOM 1131 C GLU A 73 -23.559 17.430 0.058 1.00 60.42 C ATOM 1132 O GLU A 73 -22.382 17.790 0.057 1.00 63.13 O ATOM 1133 CB GLU A 73 -25.152 19.101 1.022 1.00 23.44 C ATOM 1134 CG GLU A 73 -25.508 20.567 0.834 1.00 3.01 C ATOM 1135 CD GLU A 73 -26.931 20.765 0.352 1.00 72.31 C ATOM 1136 OE1 GLU A 73 -27.151 20.728 -0.876 1.00 33.14 O ATOM 1137 OE2 GLU A 73 -27.825 20.957 1.204 1.00 1.04 O ATOM 0 H GLU A 73 -26.665 17.762 -0.392 1.00 13.35 H new ATOM 0 HA GLU A 73 -24.289 19.172 -0.947 1.00 60.05 H new ATOM 0 HB2 GLU A 73 -26.023 18.570 1.406 1.00 23.44 H new ATOM 0 HB3 GLU A 73 -24.370 19.019 1.777 1.00 23.44 H new ATOM 0 HG2 GLU A 73 -25.372 21.094 1.778 1.00 3.01 H new ATOM 0 HG3 GLU A 73 -24.820 21.015 0.117 1.00 3.01 H new ATOM 1144 N GLU A 74 -23.935 16.186 0.331 1.00 12.42 N ATOM 1145 CA GLU A 74 -22.964 15.147 0.654 1.00 51.13 C ATOM 1146 C GLU A 74 -21.841 15.113 -0.379 1.00 2.10 C ATOM 1147 O GLU A 74 -20.669 14.945 -0.034 1.00 73.53 O ATOM 1148 CB GLU A 74 -23.648 13.781 0.724 1.00 75.11 C ATOM 1149 CG GLU A 74 -24.410 13.547 2.018 1.00 32.32 C ATOM 1150 CD GLU A 74 -25.131 12.213 2.038 1.00 61.23 C ATOM 1151 OE1 GLU A 74 -26.244 12.131 1.478 1.00 0.34 O ATOM 1152 OE2 GLU A 74 -24.581 11.251 2.614 1.00 24.41 O ATOM 0 H GLU A 74 -24.905 15.872 0.335 1.00 12.42 H new ATOM 0 HA GLU A 74 -22.533 15.379 1.628 1.00 51.13 H new ATOM 0 HB2 GLU A 74 -24.337 13.685 -0.116 1.00 75.11 H new ATOM 0 HB3 GLU A 74 -22.895 13.001 0.609 1.00 75.11 H new ATOM 0 HG2 GLU A 74 -23.716 13.593 2.857 1.00 32.32 H new ATOM 0 HG3 GLU A 74 -25.134 14.349 2.159 1.00 32.32 H new ATOM 1159 N LEU A 75 -22.205 15.273 -1.646 1.00 62.13 N ATOM 1160 CA LEU A 75 -21.229 15.260 -2.730 1.00 4.23 C ATOM 1161 C LEU A 75 -20.510 16.602 -2.832 1.00 71.24 C ATOM 1162 O LEU A 75 -19.389 16.680 -3.334 1.00 32.21 O ATOM 1163 CB LEU A 75 -21.916 14.935 -4.057 1.00 34.04 C ATOM 1164 CG LEU A 75 -21.014 14.386 -5.163 1.00 12.12 C ATOM 1165 CD1 LEU A 75 -21.451 12.984 -5.562 1.00 61.30 C ATOM 1166 CD2 LEU A 75 -21.024 15.313 -6.370 1.00 72.05 C ATOM 0 H LEU A 75 -23.169 15.413 -1.948 1.00 62.13 H new ATOM 0 HA LEU A 75 -20.490 14.489 -2.511 1.00 4.23 H new ATOM 0 HB2 LEU A 75 -22.706 14.209 -3.866 1.00 34.04 H new ATOM 0 HB3 LEU A 75 -22.398 15.841 -4.425 1.00 34.04 H new ATOM 0 HG LEU A 75 -19.995 14.332 -4.780 1.00 12.12 H new ATOM 0 HD11 LEU A 75 -20.798 12.610 -6.350 1.00 61.30 H new ATOM 0 HD12 LEU A 75 -21.391 12.324 -4.697 1.00 61.30 H new ATOM 0 HD13 LEU A 75 -22.478 13.013 -5.925 1.00 61.30 H new ATOM 0 HD21 LEU A 75 -20.377 14.906 -7.147 1.00 72.05 H new ATOM 0 HD22 LEU A 75 -22.041 15.400 -6.754 1.00 72.05 H new ATOM 0 HD23 LEU A 75 -20.662 16.298 -6.075 1.00 72.05 H new ATOM 1178 N ARG A 76 -21.163 17.655 -2.350 1.00 4.14 N ATOM 1179 CA ARG A 76 -20.586 18.993 -2.386 1.00 42.35 C ATOM 1180 C ARG A 76 -19.243 19.026 -1.662 1.00 41.50 C ATOM 1181 O ARG A 76 -18.256 19.541 -2.187 1.00 31.41 O ATOM 1182 CB ARG A 76 -21.544 20.002 -1.751 1.00 33.22 C ATOM 1183 CG ARG A 76 -21.706 21.280 -2.557 1.00 22.21 C ATOM 1184 CD ARG A 76 -22.742 22.204 -1.936 1.00 31.10 C ATOM 1185 NE ARG A 76 -22.402 22.562 -0.562 1.00 55.02 N ATOM 1186 CZ ARG A 76 -23.050 23.487 0.139 1.00 23.14 C ATOM 1187 NH1 ARG A 76 -24.066 24.142 -0.404 1.00 32.52 N ATOM 1188 NH2 ARG A 76 -22.682 23.757 1.384 1.00 44.10 N ATOM 0 H ARG A 76 -22.091 17.607 -1.930 1.00 4.14 H new ATOM 0 HA ARG A 76 -20.424 19.263 -3.429 1.00 42.35 H new ATOM 0 HB2 ARG A 76 -22.521 19.534 -1.627 1.00 33.22 H new ATOM 0 HB3 ARG A 76 -21.183 20.255 -0.754 1.00 33.22 H new ATOM 0 HG2 ARG A 76 -20.748 21.796 -2.619 1.00 22.21 H new ATOM 0 HG3 ARG A 76 -22.002 21.033 -3.577 1.00 22.21 H new ATOM 0 HD2 ARG A 76 -22.826 23.110 -2.536 1.00 31.10 H new ATOM 0 HD3 ARG A 76 -23.718 21.718 -1.953 1.00 31.10 H new ATOM 0 HE ARG A 76 -21.625 22.076 -0.115 1.00 55.02 H new ATOM 0 HH11 ARG A 76 -24.352 23.937 -1.361 1.00 32.52 H new ATOM 0 HH12 ARG A 76 -24.562 24.851 0.135 1.00 32.52 H new ATOM 0 HH21 ARG A 76 -21.901 23.255 1.805 1.00 44.10 H new ATOM 0 HH22 ARG A 76 -23.180 24.467 1.920 1.00 44.10 H new ATOM 1202 N SER A 77 -19.214 18.472 -0.454 1.00 72.44 N ATOM 1203 CA SER A 77 -17.995 18.442 0.344 1.00 43.21 C ATOM 1204 C SER A 77 -16.862 17.765 -0.421 1.00 21.42 C ATOM 1205 O SER A 77 -15.762 18.309 -0.534 1.00 41.13 O ATOM 1206 CB SER A 77 -18.242 17.710 1.665 1.00 61.33 C ATOM 1207 OG SER A 77 -18.856 18.564 2.614 1.00 61.12 O ATOM 0 H SER A 77 -20.021 18.038 -0.007 1.00 72.44 H new ATOM 0 HA SER A 77 -17.704 19.471 0.556 1.00 43.21 H new ATOM 0 HB2 SER A 77 -18.876 16.841 1.490 1.00 61.33 H new ATOM 0 HB3 SER A 77 -17.297 17.340 2.062 1.00 61.33 H new ATOM 0 HG SER A 77 -19.005 18.072 3.449 1.00 61.12 H new ATOM 1213 N LEU A 78 -17.138 16.576 -0.946 1.00 63.45 N ATOM 1214 CA LEU A 78 -16.142 15.824 -1.701 1.00 52.45 C ATOM 1215 C LEU A 78 -15.545 16.677 -2.815 1.00 12.43 C ATOM 1216 O LEU A 78 -14.326 16.808 -2.924 1.00 71.10 O ATOM 1217 CB LEU A 78 -16.771 14.560 -2.291 1.00 71.31 C ATOM 1218 CG LEU A 78 -16.394 13.243 -1.612 1.00 42.35 C ATOM 1219 CD1 LEU A 78 -14.883 13.085 -1.554 1.00 23.12 C ATOM 1220 CD2 LEU A 78 -16.994 13.173 -0.215 1.00 44.15 C ATOM 0 H LEU A 78 -18.043 16.112 -0.863 1.00 63.45 H new ATOM 0 HA LEU A 78 -15.341 15.540 -1.018 1.00 52.45 H new ATOM 0 HB2 LEU A 78 -17.855 14.667 -2.255 1.00 71.31 H new ATOM 0 HB3 LEU A 78 -16.492 14.496 -3.343 1.00 71.31 H new ATOM 0 HG LEU A 78 -16.801 12.422 -2.203 1.00 42.35 H new ATOM 0 HD11 LEU A 78 -14.634 12.142 -1.067 1.00 23.12 H new ATOM 0 HD12 LEU A 78 -14.478 13.089 -2.566 1.00 23.12 H new ATOM 0 HD13 LEU A 78 -14.452 13.910 -0.987 1.00 23.12 H new ATOM 0 HD21 LEU A 78 -16.716 12.229 0.254 1.00 44.15 H new ATOM 0 HD22 LEU A 78 -16.617 14.001 0.385 1.00 44.15 H new ATOM 0 HD23 LEU A 78 -18.080 13.239 -0.282 1.00 44.15 H new ATOM 1232 N TYR A 79 -16.412 17.256 -3.639 1.00 3.30 N ATOM 1233 CA TYR A 79 -15.969 18.096 -4.745 1.00 21.22 C ATOM 1234 C TYR A 79 -15.046 19.206 -4.251 1.00 32.30 C ATOM 1235 O TYR A 79 -13.957 19.408 -4.787 1.00 15.44 O ATOM 1236 CB TYR A 79 -17.175 18.702 -5.465 1.00 23.43 C ATOM 1237 CG TYR A 79 -16.857 19.213 -6.854 1.00 61.25 C ATOM 1238 CD1 TYR A 79 -16.246 18.392 -7.793 1.00 2.02 C ATOM 1239 CD2 TYR A 79 -17.167 20.516 -7.224 1.00 42.43 C ATOM 1240 CE1 TYR A 79 -15.954 18.853 -9.062 1.00 22.14 C ATOM 1241 CE2 TYR A 79 -16.879 20.985 -8.491 1.00 33.12 C ATOM 1242 CZ TYR A 79 -16.272 20.150 -9.406 1.00 73.42 C ATOM 1243 OH TYR A 79 -15.983 20.615 -10.669 1.00 53.22 O ATOM 0 H TYR A 79 -17.424 17.159 -3.562 1.00 3.30 H new ATOM 0 HA TYR A 79 -15.413 17.471 -5.443 1.00 21.22 H new ATOM 0 HB2 TYR A 79 -17.962 17.951 -5.535 1.00 23.43 H new ATOM 0 HB3 TYR A 79 -17.570 19.523 -4.867 1.00 23.43 H new ATOM 0 HD1 TYR A 79 -15.995 17.376 -7.526 1.00 2.02 H new ATOM 0 HD2 TYR A 79 -17.641 21.173 -6.509 1.00 42.43 H new ATOM 0 HE1 TYR A 79 -15.479 18.201 -9.781 1.00 22.14 H new ATOM 0 HE2 TYR A 79 -17.128 22.000 -8.764 1.00 33.12 H new ATOM 0 HH TYR A 79 -16.273 21.548 -10.748 1.00 53.22 H new ATOM 1253 N ASN A 80 -15.491 19.923 -3.224 1.00 35.03 N ATOM 1254 CA ASN A 80 -14.706 21.013 -2.656 1.00 11.14 C ATOM 1255 C ASN A 80 -13.351 20.510 -2.168 1.00 22.32 C ATOM 1256 O ASN A 80 -12.304 20.953 -2.644 1.00 32.41 O ATOM 1257 CB ASN A 80 -15.465 21.668 -1.500 1.00 35.23 C ATOM 1258 CG ASN A 80 -16.323 22.832 -1.958 1.00 32.14 C ATOM 1259 OD1 ASN A 80 -17.022 22.744 -2.968 1.00 52.11 O ATOM 1260 ND2 ASN A 80 -16.272 23.932 -1.215 1.00 1.33 N ATOM 0 H ASN A 80 -16.390 19.769 -2.768 1.00 35.03 H new ATOM 0 HA ASN A 80 -14.539 21.753 -3.438 1.00 11.14 H new ATOM 0 HB2 ASN A 80 -16.096 20.923 -1.015 1.00 35.23 H new ATOM 0 HB3 ASN A 80 -14.753 22.017 -0.753 1.00 35.23 H new ATOM 0 HD21 ASN A 80 -16.826 24.748 -1.474 1.00 1.33 H new ATOM 0 HD22 ASN A 80 -15.679 23.960 -0.386 1.00 1.33 H new ATOM 1267 N THR A 81 -13.377 19.583 -1.216 1.00 1.15 N ATOM 1268 CA THR A 81 -12.151 19.020 -0.664 1.00 11.01 C ATOM 1269 C THR A 81 -11.233 18.513 -1.769 1.00 3.41 C ATOM 1270 O THR A 81 -10.092 18.960 -1.895 1.00 21.04 O ATOM 1271 CB THR A 81 -12.453 17.865 0.309 1.00 63.22 C ATOM 1272 OG1 THR A 81 -13.444 18.271 1.259 1.00 42.45 O ATOM 1273 CG2 THR A 81 -11.191 17.429 1.039 1.00 20.31 C ATOM 0 H THR A 81 -14.234 19.206 -0.811 1.00 1.15 H new ATOM 0 HA THR A 81 -11.651 19.822 -0.120 1.00 11.01 H new ATOM 0 HB THR A 81 -12.829 17.021 -0.269 1.00 63.22 H new ATOM 0 HG1 THR A 81 -14.331 18.231 0.844 1.00 42.45 H new ATOM 0 HG21 THR A 81 -11.429 16.612 1.721 1.00 20.31 H new ATOM 0 HG22 THR A 81 -10.449 17.093 0.314 1.00 20.31 H new ATOM 0 HG23 THR A 81 -10.790 18.269 1.606 1.00 20.31 H new ATOM 1281 N ILE A 82 -11.735 17.576 -2.566 1.00 34.14 N ATOM 1282 CA ILE A 82 -10.959 17.009 -3.662 1.00 1.11 C ATOM 1283 C ILE A 82 -10.302 18.105 -4.496 1.00 52.33 C ATOM 1284 O ILE A 82 -9.132 18.001 -4.864 1.00 34.42 O ATOM 1285 CB ILE A 82 -11.835 16.136 -4.580 1.00 23.32 C ATOM 1286 CG1 ILE A 82 -12.372 14.928 -3.811 1.00 34.45 C ATOM 1287 CG2 ILE A 82 -11.041 15.686 -5.798 1.00 62.11 C ATOM 1288 CD1 ILE A 82 -13.603 14.311 -4.439 1.00 72.43 C ATOM 0 H ILE A 82 -12.676 17.193 -2.473 1.00 34.14 H new ATOM 0 HA ILE A 82 -10.186 16.386 -3.212 1.00 1.11 H new ATOM 0 HB ILE A 82 -12.682 16.730 -4.922 1.00 23.32 H new ATOM 0 HG12 ILE A 82 -11.590 14.172 -3.745 1.00 34.45 H new ATOM 0 HG13 ILE A 82 -12.608 15.232 -2.791 1.00 34.45 H new ATOM 0 HG21 ILE A 82 -11.673 15.070 -6.437 1.00 62.11 H new ATOM 0 HG22 ILE A 82 -10.703 16.560 -6.355 1.00 62.11 H new ATOM 0 HG23 ILE A 82 -10.177 15.106 -5.475 1.00 62.11 H new ATOM 0 HD11 ILE A 82 -13.929 13.460 -3.841 1.00 72.43 H new ATOM 0 HD12 ILE A 82 -14.401 15.052 -4.480 1.00 72.43 H new ATOM 0 HD13 ILE A 82 -13.367 13.976 -5.449 1.00 72.43 H new ATOM 1300 N ALA A 83 -11.063 19.154 -4.787 1.00 31.30 N ATOM 1301 CA ALA A 83 -10.554 20.271 -5.573 1.00 34.01 C ATOM 1302 C ALA A 83 -9.267 20.825 -4.972 1.00 31.12 C ATOM 1303 O ALA A 83 -8.287 21.052 -5.681 1.00 42.12 O ATOM 1304 CB ALA A 83 -11.606 21.367 -5.675 1.00 4.21 C ATOM 0 H ALA A 83 -12.034 19.254 -4.491 1.00 31.30 H new ATOM 0 HA ALA A 83 -10.327 19.905 -6.574 1.00 34.01 H new ATOM 0 HB1 ALA A 83 -11.213 22.195 -6.265 1.00 4.21 H new ATOM 0 HB2 ALA A 83 -12.499 20.970 -6.157 1.00 4.21 H new ATOM 0 HB3 ALA A 83 -11.860 21.721 -4.676 1.00 4.21 H new ATOM 1310 N VAL A 84 -9.276 21.040 -3.661 1.00 51.04 N ATOM 1311 CA VAL A 84 -8.109 21.566 -2.964 1.00 62.30 C ATOM 1312 C VAL A 84 -6.958 20.567 -2.987 1.00 21.33 C ATOM 1313 O VAL A 84 -5.824 20.917 -3.317 1.00 24.45 O ATOM 1314 CB VAL A 84 -8.439 21.918 -1.501 1.00 32.12 C ATOM 1315 CG1 VAL A 84 -7.268 22.636 -0.847 1.00 55.44 C ATOM 1316 CG2 VAL A 84 -9.702 22.764 -1.428 1.00 1.44 C ATOM 0 H VAL A 84 -10.079 20.858 -3.060 1.00 51.04 H new ATOM 0 HA VAL A 84 -7.810 22.473 -3.489 1.00 62.30 H new ATOM 0 HB VAL A 84 -8.617 20.992 -0.954 1.00 32.12 H new ATOM 0 HG11 VAL A 84 -7.520 22.877 0.186 1.00 55.44 H new ATOM 0 HG12 VAL A 84 -6.389 21.991 -0.866 1.00 55.44 H new ATOM 0 HG13 VAL A 84 -7.055 23.556 -1.392 1.00 55.44 H new ATOM 0 HG21 VAL A 84 -9.920 23.003 -0.387 1.00 1.44 H new ATOM 0 HG22 VAL A 84 -9.555 23.687 -1.989 1.00 1.44 H new ATOM 0 HG23 VAL A 84 -10.537 22.209 -1.855 1.00 1.44 H new ATOM 1326 N LEU A 85 -7.256 19.321 -2.636 1.00 32.32 N ATOM 1327 CA LEU A 85 -6.246 18.269 -2.618 1.00 30.33 C ATOM 1328 C LEU A 85 -5.574 18.135 -3.981 1.00 74.04 C ATOM 1329 O LEU A 85 -4.356 17.978 -4.071 1.00 34.03 O ATOM 1330 CB LEU A 85 -6.878 16.936 -2.214 1.00 55.30 C ATOM 1331 CG LEU A 85 -5.937 15.911 -1.580 1.00 64.42 C ATOM 1332 CD1 LEU A 85 -6.243 15.750 -0.099 1.00 50.32 C ATOM 1333 CD2 LEU A 85 -6.042 14.573 -2.297 1.00 65.40 C ATOM 0 H LEU A 85 -8.189 19.015 -2.360 1.00 32.32 H new ATOM 0 HA LEU A 85 -5.486 18.541 -1.885 1.00 30.33 H new ATOM 0 HB2 LEU A 85 -7.688 17.139 -1.513 1.00 55.30 H new ATOM 0 HB3 LEU A 85 -7.328 16.487 -3.099 1.00 55.30 H new ATOM 0 HG LEU A 85 -4.914 16.275 -1.682 1.00 64.42 H new ATOM 0 HD11 LEU A 85 -5.563 15.017 0.335 1.00 50.32 H new ATOM 0 HD12 LEU A 85 -6.114 16.708 0.405 1.00 50.32 H new ATOM 0 HD13 LEU A 85 -7.271 15.410 0.025 1.00 50.32 H new ATOM 0 HD21 LEU A 85 -5.365 13.857 -1.832 1.00 65.40 H new ATOM 0 HD22 LEU A 85 -7.065 14.203 -2.229 1.00 65.40 H new ATOM 0 HD23 LEU A 85 -5.771 14.700 -3.345 1.00 65.40 H new ATOM 1345 N TYR A 86 -6.376 18.198 -5.038 1.00 21.42 N ATOM 1346 CA TYR A 86 -5.859 18.085 -6.397 1.00 54.53 C ATOM 1347 C TYR A 86 -4.849 19.189 -6.690 1.00 22.01 C ATOM 1348 O TYR A 86 -3.748 18.925 -7.176 1.00 31.53 O ATOM 1349 CB TYR A 86 -7.005 18.144 -7.408 1.00 74.24 C ATOM 1350 CG TYR A 86 -6.546 18.356 -8.832 1.00 31.43 C ATOM 1351 CD1 TYR A 86 -5.797 17.391 -9.492 1.00 4.02 C ATOM 1352 CD2 TYR A 86 -6.863 19.523 -9.519 1.00 41.32 C ATOM 1353 CE1 TYR A 86 -5.373 17.582 -10.794 1.00 14.22 C ATOM 1354 CE2 TYR A 86 -6.445 19.721 -10.821 1.00 55.23 C ATOM 1355 CZ TYR A 86 -5.701 18.748 -11.454 1.00 2.23 C ATOM 1356 OH TYR A 86 -5.283 18.940 -12.751 1.00 71.51 O ATOM 0 H TYR A 86 -7.386 18.327 -4.980 1.00 21.42 H new ATOM 0 HA TYR A 86 -5.354 17.123 -6.487 1.00 54.53 H new ATOM 0 HB2 TYR A 86 -7.575 17.216 -7.353 1.00 74.24 H new ATOM 0 HB3 TYR A 86 -7.683 18.951 -7.130 1.00 74.24 H new ATOM 0 HD1 TYR A 86 -5.541 16.475 -8.979 1.00 4.02 H new ATOM 0 HD2 TYR A 86 -7.446 20.287 -9.026 1.00 41.32 H new ATOM 0 HE1 TYR A 86 -4.788 16.822 -11.292 1.00 14.22 H new ATOM 0 HE2 TYR A 86 -6.700 20.633 -11.340 1.00 55.23 H new ATOM 0 HH TYR A 86 -5.598 19.811 -13.071 1.00 71.51 H new ATOM 1366 N CYS A 87 -5.231 20.425 -6.391 1.00 30.25 N ATOM 1367 CA CYS A 87 -4.359 21.572 -6.623 1.00 40.32 C ATOM 1368 C CYS A 87 -3.054 21.427 -5.848 1.00 62.30 C ATOM 1369 O CYS A 87 -1.989 21.824 -6.323 1.00 74.43 O ATOM 1370 CB CYS A 87 -5.066 22.866 -6.219 1.00 54.10 C ATOM 1371 SG CYS A 87 -5.927 23.692 -7.577 1.00 21.43 S ATOM 0 H CYS A 87 -6.138 20.659 -5.988 1.00 30.25 H new ATOM 0 HA CYS A 87 -4.126 21.612 -7.687 1.00 40.32 H new ATOM 0 HB2 CYS A 87 -5.784 22.644 -5.430 1.00 54.10 H new ATOM 0 HB3 CYS A 87 -4.331 23.552 -5.798 1.00 54.10 H new ATOM 0 HG CYS A 87 -6.495 24.775 -7.136 1.00 21.43 H new ATOM 1377 N VAL A 88 -3.142 20.858 -4.650 1.00 14.15 N ATOM 1378 CA VAL A 88 -1.969 20.661 -3.808 1.00 4.40 C ATOM 1379 C VAL A 88 -0.915 19.820 -4.520 1.00 12.31 C ATOM 1380 O VAL A 88 0.285 20.007 -4.320 1.00 42.44 O ATOM 1381 CB VAL A 88 -2.340 19.979 -2.477 1.00 22.40 C ATOM 1382 CG1 VAL A 88 -1.105 19.794 -1.610 1.00 51.52 C ATOM 1383 CG2 VAL A 88 -3.400 20.788 -1.744 1.00 53.50 C ATOM 0 H VAL A 88 -4.015 20.525 -4.241 1.00 14.15 H new ATOM 0 HA VAL A 88 -1.561 21.650 -3.600 1.00 4.40 H new ATOM 0 HB VAL A 88 -2.752 18.994 -2.695 1.00 22.40 H new ATOM 0 HG11 VAL A 88 -1.386 19.311 -0.674 1.00 51.52 H new ATOM 0 HG12 VAL A 88 -0.381 19.172 -2.136 1.00 51.52 H new ATOM 0 HG13 VAL A 88 -0.661 20.766 -1.397 1.00 51.52 H new ATOM 0 HG21 VAL A 88 -3.651 20.293 -0.806 1.00 53.50 H new ATOM 0 HG22 VAL A 88 -3.016 21.787 -1.536 1.00 53.50 H new ATOM 0 HG23 VAL A 88 -4.293 20.864 -2.364 1.00 53.50 H new ATOM 1393 N HIS A 89 -1.373 18.892 -5.355 1.00 1.33 N ATOM 1394 CA HIS A 89 -0.470 18.020 -6.100 1.00 75.42 C ATOM 1395 C HIS A 89 0.153 18.764 -7.277 1.00 32.33 C ATOM 1396 O HIS A 89 1.320 18.499 -7.560 1.00 43.43 O ATOM 1397 CB HIS A 89 -1.218 16.784 -6.602 1.00 61.32 C ATOM 1398 CG HIS A 89 -1.706 15.892 -5.501 1.00 23.34 C ATOM 1399 ND1 HIS A 89 -1.089 15.807 -4.272 1.00 3.21 N ATOM 1400 CD2 HIS A 89 -2.761 15.045 -5.451 1.00 45.24 C ATOM 1401 CE1 HIS A 89 -1.741 14.945 -3.513 1.00 61.23 C ATOM 1402 NE2 HIS A 89 -2.761 14.469 -4.205 1.00 24.13 N ATOM 0 H HIS A 89 -2.363 18.724 -5.533 1.00 1.33 H new ATOM 0 HA HIS A 89 0.328 17.704 -5.428 1.00 75.42 H new ATOM 0 HB2 HIS A 89 -2.069 17.104 -7.204 1.00 61.32 H new ATOM 0 HB3 HIS A 89 -0.561 16.213 -7.257 1.00 61.32 H new ATOM 0 HD1 HIS A 89 -0.258 16.328 -3.992 1.00 3.21 H new ATOM 0 HD2 HIS A 89 -3.470 14.857 -6.244 1.00 45.24 H new ATOM 0 HE1 HIS A 89 -1.484 14.675 -2.499 1.00 61.23 H new ATOM 1411 N GLN A 90 -0.568 19.658 -7.947 1.00 34.33 N ATOM 1412 CA GLN A 90 -0.016 20.392 -9.079 1.00 0.23 C ATOM 1413 C GLN A 90 0.722 21.642 -8.610 1.00 75.33 C ATOM 1414 O GLN A 90 0.845 22.617 -9.351 1.00 51.13 O ATOM 1415 CB GLN A 90 -1.128 20.779 -10.055 1.00 35.03 C ATOM 1416 CG GLN A 90 -0.890 20.287 -11.474 1.00 15.21 C ATOM 1417 CD GLN A 90 0.010 21.210 -12.269 1.00 22.42 C ATOM 1418 OE1 GLN A 90 -0.441 21.905 -13.180 1.00 73.12 O ATOM 1419 NE2 GLN A 90 1.294 21.224 -11.929 1.00 52.14 N ATOM 0 H GLN A 90 -1.536 19.891 -7.725 1.00 34.33 H new ATOM 0 HA GLN A 90 0.695 19.742 -9.589 1.00 0.23 H new ATOM 0 HB2 GLN A 90 -2.074 20.376 -9.693 1.00 35.03 H new ATOM 0 HB3 GLN A 90 -1.228 21.864 -10.067 1.00 35.03 H new ATOM 0 HG2 GLN A 90 -0.445 19.293 -11.440 1.00 15.21 H new ATOM 0 HG3 GLN A 90 -1.847 20.190 -11.986 1.00 15.21 H new ATOM 0 HE21 GLN A 90 1.626 20.632 -11.168 1.00 52.14 H new ATOM 0 HE22 GLN A 90 1.948 21.827 -12.429 1.00 52.14 H new ATOM 1428 N ARG A 91 1.211 21.605 -7.374 1.00 75.51 N ATOM 1429 CA ARG A 91 1.934 22.736 -6.805 1.00 43.04 C ATOM 1430 C ARG A 91 1.084 24.002 -6.847 1.00 2.13 C ATOM 1431 O ARG A 91 1.581 25.085 -7.160 1.00 21.04 O ATOM 1432 CB ARG A 91 3.245 22.962 -7.562 1.00 54.13 C ATOM 1433 CG ARG A 91 4.284 23.732 -6.763 1.00 52.22 C ATOM 1434 CD ARG A 91 5.420 22.827 -6.310 1.00 23.24 C ATOM 1435 NE ARG A 91 6.460 23.568 -5.603 1.00 21.22 N ATOM 1436 CZ ARG A 91 6.316 24.044 -4.371 1.00 43.53 C ATOM 1437 NH1 ARG A 91 5.180 23.855 -3.713 1.00 2.24 N ATOM 1438 NH2 ARG A 91 7.309 24.708 -3.794 1.00 44.20 N ATOM 0 H ARG A 91 1.120 20.805 -6.748 1.00 75.51 H new ATOM 0 HA ARG A 91 2.158 22.506 -5.764 1.00 43.04 H new ATOM 0 HB2 ARG A 91 3.661 21.996 -7.848 1.00 54.13 H new ATOM 0 HB3 ARG A 91 3.034 23.503 -8.484 1.00 54.13 H new ATOM 0 HG2 ARG A 91 4.684 24.544 -7.371 1.00 52.22 H new ATOM 0 HG3 ARG A 91 3.811 24.188 -5.893 1.00 52.22 H new ATOM 0 HD2 ARG A 91 5.025 22.047 -5.659 1.00 23.24 H new ATOM 0 HD3 ARG A 91 5.855 22.329 -7.177 1.00 23.24 H new ATOM 0 HE ARG A 91 7.346 23.729 -6.081 1.00 21.22 H new ATOM 0 HH11 ARG A 91 4.415 23.343 -4.153 1.00 2.24 H new ATOM 0 HH12 ARG A 91 5.071 24.221 -2.767 1.00 2.24 H new ATOM 0 HH21 ARG A 91 8.185 24.854 -4.296 1.00 44.20 H new ATOM 0 HH22 ARG A 91 7.197 25.073 -2.848 1.00 44.20 H new ATOM 1452 N ILE A 92 -0.199 23.859 -6.530 1.00 4.43 N ATOM 1453 CA ILE A 92 -1.116 24.991 -6.533 1.00 62.04 C ATOM 1454 C ILE A 92 -1.620 25.291 -5.125 1.00 75.42 C ATOM 1455 O ILE A 92 -2.106 24.403 -4.425 1.00 14.44 O ATOM 1456 CB ILE A 92 -2.323 24.737 -7.454 1.00 21.01 C ATOM 1457 CG1 ILE A 92 -1.852 24.492 -8.890 1.00 53.45 C ATOM 1458 CG2 ILE A 92 -3.287 25.912 -7.402 1.00 64.44 C ATOM 1459 CD1 ILE A 92 -2.974 24.135 -9.841 1.00 62.22 C ATOM 0 H ILE A 92 -0.626 22.970 -6.268 1.00 4.43 H new ATOM 0 HA ILE A 92 -0.558 25.848 -6.909 1.00 62.04 H new ATOM 0 HB ILE A 92 -2.847 23.847 -7.105 1.00 21.01 H new ATOM 0 HG12 ILE A 92 -1.347 25.386 -9.256 1.00 53.45 H new ATOM 0 HG13 ILE A 92 -1.116 23.688 -8.890 1.00 53.45 H new ATOM 0 HG21 ILE A 92 -4.135 25.716 -8.059 1.00 64.44 H new ATOM 0 HG22 ILE A 92 -3.643 26.046 -6.380 1.00 64.44 H new ATOM 0 HG23 ILE A 92 -2.775 26.817 -7.730 1.00 64.44 H new ATOM 0 HD11 ILE A 92 -2.568 23.975 -10.840 1.00 62.22 H new ATOM 0 HD12 ILE A 92 -3.465 23.224 -9.499 1.00 62.22 H new ATOM 0 HD13 ILE A 92 -3.699 24.948 -9.870 1.00 62.22 H new ATOM 1471 N ASP A 93 -1.504 26.550 -4.716 1.00 24.53 N ATOM 1472 CA ASP A 93 -1.951 26.970 -3.393 1.00 44.43 C ATOM 1473 C ASP A 93 -3.107 27.958 -3.498 1.00 72.11 C ATOM 1474 O ASP A 93 -3.020 28.959 -4.208 1.00 31.54 O ATOM 1475 CB ASP A 93 -0.793 27.600 -2.617 1.00 74.42 C ATOM 1476 CG ASP A 93 0.118 28.426 -3.504 1.00 33.41 C ATOM 1477 OD1 ASP A 93 -0.397 29.086 -4.432 1.00 50.12 O ATOM 1478 OD2 ASP A 93 1.344 28.413 -3.271 1.00 31.43 O ATOM 0 H ASP A 93 -1.104 27.298 -5.282 1.00 24.53 H new ATOM 0 HA ASP A 93 -2.300 26.087 -2.857 1.00 44.43 H new ATOM 0 HB2 ASP A 93 -1.192 28.231 -1.823 1.00 74.42 H new ATOM 0 HB3 ASP A 93 -0.211 26.813 -2.136 1.00 74.42 H new ATOM 1483 N VAL A 94 -4.192 27.669 -2.787 1.00 54.54 N ATOM 1484 CA VAL A 94 -5.367 28.531 -2.800 1.00 35.22 C ATOM 1485 C VAL A 94 -5.601 29.163 -1.432 1.00 53.41 C ATOM 1486 O VAL A 94 -5.274 28.575 -0.401 1.00 41.13 O ATOM 1487 CB VAL A 94 -6.630 27.754 -3.217 1.00 32.35 C ATOM 1488 CG1 VAL A 94 -6.480 27.210 -4.629 1.00 33.54 C ATOM 1489 CG2 VAL A 94 -6.913 26.630 -2.232 1.00 75.13 C ATOM 0 H VAL A 94 -4.281 26.844 -2.194 1.00 54.54 H new ATOM 0 HA VAL A 94 -5.175 29.316 -3.532 1.00 35.22 H new ATOM 0 HB VAL A 94 -7.478 28.439 -3.205 1.00 32.35 H new ATOM 0 HG11 VAL A 94 -7.382 26.664 -4.906 1.00 33.54 H new ATOM 0 HG12 VAL A 94 -6.328 28.037 -5.323 1.00 33.54 H new ATOM 0 HG13 VAL A 94 -5.622 26.539 -4.671 1.00 33.54 H new ATOM 0 HG21 VAL A 94 -7.809 26.092 -2.542 1.00 75.13 H new ATOM 0 HG22 VAL A 94 -6.066 25.944 -2.210 1.00 75.13 H new ATOM 0 HG23 VAL A 94 -7.067 27.048 -1.237 1.00 75.13 H new ATOM 1499 N LYS A 95 -6.172 30.363 -1.430 1.00 44.34 N ATOM 1500 CA LYS A 95 -6.452 31.075 -0.189 1.00 55.31 C ATOM 1501 C LYS A 95 -7.526 30.354 0.621 1.00 24.43 C ATOM 1502 O LYS A 95 -7.595 30.496 1.842 1.00 71.34 O ATOM 1503 CB LYS A 95 -6.900 32.507 -0.489 1.00 54.14 C ATOM 1504 CG LYS A 95 -5.925 33.564 0.001 1.00 60.23 C ATOM 1505 CD LYS A 95 -5.831 34.728 -0.970 1.00 62.50 C ATOM 1506 CE LYS A 95 -4.452 34.814 -1.606 1.00 0.40 C ATOM 1507 NZ LYS A 95 -4.310 33.871 -2.750 1.00 43.25 N ATOM 0 H LYS A 95 -6.450 30.863 -2.275 1.00 44.34 H new ATOM 0 HA LYS A 95 -5.535 31.103 0.400 1.00 55.31 H new ATOM 0 HB2 LYS A 95 -7.034 32.619 -1.565 1.00 54.14 H new ATOM 0 HB3 LYS A 95 -7.872 32.679 -0.027 1.00 54.14 H new ATOM 0 HG2 LYS A 95 -6.243 33.929 0.978 1.00 60.23 H new ATOM 0 HG3 LYS A 95 -4.939 33.118 0.132 1.00 60.23 H new ATOM 0 HD2 LYS A 95 -6.585 34.615 -1.749 1.00 62.50 H new ATOM 0 HD3 LYS A 95 -6.050 35.659 -0.446 1.00 62.50 H new ATOM 0 HE2 LYS A 95 -4.274 35.833 -1.951 1.00 0.40 H new ATOM 0 HE3 LYS A 95 -3.692 34.593 -0.857 1.00 0.40 H new ATOM 0 HZ1 LYS A 95 -3.357 33.960 -3.157 1.00 43.25 H new ATOM 0 HZ2 LYS A 95 -4.455 32.897 -2.417 1.00 43.25 H new ATOM 0 HZ3 LYS A 95 -5.019 34.097 -3.477 1.00 43.25 H new ATOM 1521 N ASP A 96 -8.359 29.580 -0.066 1.00 63.44 N ATOM 1522 CA ASP A 96 -9.426 28.836 0.590 1.00 52.41 C ATOM 1523 C ASP A 96 -10.051 27.824 -0.366 1.00 75.22 C ATOM 1524 O ASP A 96 -9.771 27.832 -1.565 1.00 11.20 O ATOM 1525 CB ASP A 96 -10.499 29.793 1.112 1.00 23.01 C ATOM 1526 CG ASP A 96 -10.879 30.847 0.091 1.00 61.34 C ATOM 1527 OD1 ASP A 96 -11.424 30.478 -0.970 1.00 43.41 O ATOM 1528 OD2 ASP A 96 -10.633 32.043 0.356 1.00 23.33 O ATOM 0 H ASP A 96 -8.315 29.452 -1.077 1.00 63.44 H new ATOM 0 HA ASP A 96 -8.993 28.295 1.431 1.00 52.41 H new ATOM 0 HB2 ASP A 96 -11.386 29.224 1.390 1.00 23.01 H new ATOM 0 HB3 ASP A 96 -10.137 30.281 2.017 1.00 23.01 H new ATOM 1533 N THR A 97 -10.899 26.954 0.172 1.00 54.31 N ATOM 1534 CA THR A 97 -11.562 25.935 -0.633 1.00 42.12 C ATOM 1535 C THR A 97 -12.462 26.567 -1.688 1.00 70.04 C ATOM 1536 O THR A 97 -12.872 25.909 -2.644 1.00 34.33 O ATOM 1537 CB THR A 97 -12.403 24.988 0.242 1.00 55.23 C ATOM 1538 OG1 THR A 97 -11.631 24.538 1.362 1.00 1.14 O ATOM 1539 CG2 THR A 97 -12.883 23.789 -0.563 1.00 32.12 C ATOM 0 H THR A 97 -11.143 26.934 1.162 1.00 54.31 H new ATOM 0 HA THR A 97 -10.777 25.361 -1.126 1.00 42.12 H new ATOM 0 HB THR A 97 -13.273 25.538 0.599 1.00 55.23 H new ATOM 0 HG1 THR A 97 -11.334 23.617 1.206 1.00 1.14 H new ATOM 0 HG21 THR A 97 -13.475 23.135 0.077 1.00 32.12 H new ATOM 0 HG22 THR A 97 -13.496 24.132 -1.397 1.00 32.12 H new ATOM 0 HG23 THR A 97 -12.023 23.240 -0.946 1.00 32.12 H new ATOM 1547 N LYS A 98 -12.765 27.848 -1.509 1.00 71.12 N ATOM 1548 CA LYS A 98 -13.615 28.572 -2.447 1.00 53.34 C ATOM 1549 C LYS A 98 -12.836 28.963 -3.699 1.00 70.14 C ATOM 1550 O LYS A 98 -13.373 28.946 -4.806 1.00 50.45 O ATOM 1551 CB LYS A 98 -14.193 29.823 -1.783 1.00 75.23 C ATOM 1552 CG LYS A 98 -15.678 29.720 -1.477 1.00 15.24 C ATOM 1553 CD LYS A 98 -16.444 30.915 -2.017 1.00 31.41 C ATOM 1554 CE LYS A 98 -16.494 30.905 -3.538 1.00 51.25 C ATOM 1555 NZ LYS A 98 -15.607 31.944 -4.129 1.00 44.31 N ATOM 0 H LYS A 98 -12.434 28.407 -0.722 1.00 71.12 H new ATOM 0 HA LYS A 98 -14.432 27.913 -2.740 1.00 53.34 H new ATOM 0 HB2 LYS A 98 -13.652 30.015 -0.856 1.00 75.23 H new ATOM 0 HB3 LYS A 98 -14.024 30.681 -2.434 1.00 75.23 H new ATOM 0 HG2 LYS A 98 -16.077 28.804 -1.913 1.00 15.24 H new ATOM 0 HG3 LYS A 98 -15.824 29.650 -0.399 1.00 15.24 H new ATOM 0 HD2 LYS A 98 -17.459 30.908 -1.619 1.00 31.41 H new ATOM 0 HD3 LYS A 98 -15.973 31.836 -1.674 1.00 31.41 H new ATOM 0 HE2 LYS A 98 -16.197 29.922 -3.905 1.00 51.25 H new ATOM 0 HE3 LYS A 98 -17.519 31.072 -3.869 1.00 51.25 H new ATOM 0 HZ1 LYS A 98 -15.957 32.203 -5.074 1.00 44.31 H new ATOM 0 HZ2 LYS A 98 -15.604 32.786 -3.518 1.00 44.31 H new ATOM 0 HZ3 LYS A 98 -14.640 31.570 -4.209 1.00 44.31 H new ATOM 1569 N GLU A 99 -11.567 29.313 -3.515 1.00 41.15 N ATOM 1570 CA GLU A 99 -10.714 29.707 -4.630 1.00 32.22 C ATOM 1571 C GLU A 99 -10.548 28.557 -5.620 1.00 61.44 C ATOM 1572 O GLU A 99 -11.060 28.609 -6.737 1.00 4.44 O ATOM 1573 CB GLU A 99 -9.344 30.158 -4.119 1.00 1.32 C ATOM 1574 CG GLU A 99 -9.017 31.604 -4.449 1.00 70.44 C ATOM 1575 CD GLU A 99 -7.836 31.735 -5.390 1.00 34.45 C ATOM 1576 OE1 GLU A 99 -7.896 31.162 -6.499 1.00 22.34 O ATOM 1577 OE2 GLU A 99 -6.853 32.411 -5.021 1.00 43.42 O ATOM 0 H GLU A 99 -11.107 29.332 -2.605 1.00 41.15 H new ATOM 0 HA GLU A 99 -11.193 30.540 -5.144 1.00 32.22 H new ATOM 0 HB2 GLU A 99 -9.307 30.024 -3.038 1.00 1.32 H new ATOM 0 HB3 GLU A 99 -8.576 29.514 -4.547 1.00 1.32 H new ATOM 0 HG2 GLU A 99 -9.890 32.076 -4.900 1.00 70.44 H new ATOM 0 HG3 GLU A 99 -8.803 32.144 -3.527 1.00 70.44 H new ATOM 1584 N ALA A 100 -9.828 27.522 -5.200 1.00 21.40 N ATOM 1585 CA ALA A 100 -9.594 26.361 -6.048 1.00 54.24 C ATOM 1586 C ALA A 100 -10.874 25.934 -6.759 1.00 30.11 C ATOM 1587 O ALA A 100 -10.842 25.503 -7.912 1.00 22.45 O ATOM 1588 CB ALA A 100 -9.037 25.209 -5.223 1.00 34.42 C ATOM 0 H ALA A 100 -9.397 27.464 -4.277 1.00 21.40 H new ATOM 0 HA ALA A 100 -8.862 26.637 -6.807 1.00 54.24 H new ATOM 0 HB1 ALA A 100 -8.867 24.348 -5.869 1.00 34.42 H new ATOM 0 HB2 ALA A 100 -8.095 25.511 -4.765 1.00 34.42 H new ATOM 0 HB3 ALA A 100 -9.750 24.942 -4.443 1.00 34.42 H new ATOM 1594 N LEU A 101 -12.000 26.055 -6.064 1.00 41.54 N ATOM 1595 CA LEU A 101 -13.291 25.681 -6.629 1.00 52.42 C ATOM 1596 C LEU A 101 -13.724 26.674 -7.703 1.00 12.42 C ATOM 1597 O LEU A 101 -14.059 26.286 -8.823 1.00 41.53 O ATOM 1598 CB LEU A 101 -14.351 25.609 -5.528 1.00 23.10 C ATOM 1599 CG LEU A 101 -15.515 24.649 -5.777 1.00 63.44 C ATOM 1600 CD1 LEU A 101 -16.276 25.049 -7.032 1.00 31.21 C ATOM 1601 CD2 LEU A 101 -15.012 23.218 -5.889 1.00 63.31 C ATOM 0 H LEU A 101 -12.045 26.409 -5.109 1.00 41.54 H new ATOM 0 HA LEU A 101 -13.187 24.698 -7.089 1.00 52.42 H new ATOM 0 HB2 LEU A 101 -13.861 25.320 -4.598 1.00 23.10 H new ATOM 0 HB3 LEU A 101 -14.757 26.609 -5.377 1.00 23.10 H new ATOM 0 HG LEU A 101 -16.197 24.707 -4.929 1.00 63.44 H new ATOM 0 HD11 LEU A 101 -17.101 24.355 -7.194 1.00 31.21 H new ATOM 0 HD12 LEU A 101 -16.669 26.059 -6.913 1.00 31.21 H new ATOM 0 HD13 LEU A 101 -15.604 25.020 -7.890 1.00 31.21 H new ATOM 0 HD21 LEU A 101 -15.854 22.549 -6.066 1.00 63.31 H new ATOM 0 HD22 LEU A 101 -14.309 23.143 -6.718 1.00 63.31 H new ATOM 0 HD23 LEU A 101 -14.512 22.935 -4.963 1.00 63.31 H new ATOM 1613 N ASP A 102 -13.713 27.956 -7.354 1.00 11.13 N ATOM 1614 CA ASP A 102 -14.101 29.005 -8.289 1.00 21.13 C ATOM 1615 C ASP A 102 -13.354 28.859 -9.612 1.00 42.32 C ATOM 1616 O ASP A 102 -13.897 29.145 -10.680 1.00 44.14 O ATOM 1617 CB ASP A 102 -13.827 30.383 -7.685 1.00 32.30 C ATOM 1618 CG ASP A 102 -15.049 31.281 -7.714 1.00 3.41 C ATOM 1619 OD1 ASP A 102 -16.012 30.998 -6.970 1.00 65.13 O ATOM 1620 OD2 ASP A 102 -15.042 32.267 -8.480 1.00 1.32 O ATOM 0 H ASP A 102 -13.440 28.293 -6.431 1.00 11.13 H new ATOM 0 HA ASP A 102 -15.169 28.907 -8.483 1.00 21.13 H new ATOM 0 HB2 ASP A 102 -13.491 30.265 -6.655 1.00 32.30 H new ATOM 0 HB3 ASP A 102 -13.015 30.862 -8.232 1.00 32.30 H new ATOM 1625 N LYS A 103 -12.104 28.413 -9.533 1.00 62.25 N ATOM 1626 CA LYS A 103 -11.281 28.229 -10.722 1.00 54.43 C ATOM 1627 C LYS A 103 -11.758 27.028 -11.532 1.00 32.24 C ATOM 1628 O LYS A 103 -12.325 27.183 -12.615 1.00 71.53 O ATOM 1629 CB LYS A 103 -9.814 28.041 -10.327 1.00 13.55 C ATOM 1630 CG LYS A 103 -9.042 29.344 -10.217 1.00 33.34 C ATOM 1631 CD LYS A 103 -8.915 30.033 -11.566 1.00 52.11 C ATOM 1632 CE LYS A 103 -7.465 30.349 -11.896 1.00 63.43 C ATOM 1633 NZ LYS A 103 -7.262 30.560 -13.355 1.00 22.42 N ATOM 0 H LYS A 103 -11.639 28.172 -8.657 1.00 62.25 H new ATOM 0 HA LYS A 103 -11.373 29.122 -11.340 1.00 54.43 H new ATOM 0 HB2 LYS A 103 -9.768 27.519 -9.371 1.00 13.55 H new ATOM 0 HB3 LYS A 103 -9.327 27.401 -11.063 1.00 13.55 H new ATOM 0 HG2 LYS A 103 -9.545 30.008 -9.514 1.00 33.34 H new ATOM 0 HG3 LYS A 103 -8.049 29.147 -9.813 1.00 33.34 H new ATOM 0 HD2 LYS A 103 -9.335 29.394 -12.343 1.00 52.11 H new ATOM 0 HD3 LYS A 103 -9.497 30.954 -11.561 1.00 52.11 H new ATOM 0 HE2 LYS A 103 -7.155 31.242 -11.353 1.00 63.43 H new ATOM 0 HE3 LYS A 103 -6.829 29.532 -11.555 1.00 63.43 H new ATOM 0 HZ1 LYS A 103 -6.261 30.773 -13.539 1.00 22.42 H new ATOM 0 HZ2 LYS A 103 -7.533 29.699 -13.871 1.00 22.42 H new ATOM 0 HZ3 LYS A 103 -7.850 31.356 -13.676 1.00 22.42 H new