USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 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 57 LYS NZ :NH3+ -164:sc= 1.93 (180deg=1.94) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.17 K(o=3.1,f=-12!) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.576 K(o=1.4,f=-2.3!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 148:sc= 0.799 (180deg=0) USER MOD Set 3.1: A 38 HIS : no HE2:sc= 0.429 K(o=0.32,f=-3.9!) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.105 K(o=0.32,f=-2.9!) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.08 K(o=-0.32,f=-8.5!) USER MOD Set 4.2: A 34 GLN : amide:sc= -1.4! K(o=-0.32!,f=-4.3) USER MOD Set 5.1: A 12 HIS : no HE2:sc= 0.131 K(o=0.11,f=-0.74) USER MOD Set 5.2: A 16 MET CE :methyl -168:sc= -0.022 (180deg=-0.197) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.146 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0199 K(o=-0.02,f=-0.75) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 7:sc= 0.437 USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= -0.0512 (180deg=-0.0644) USER MOD Single : A 13 MET CE :methyl -172:sc= 0 (180deg=-0.0758) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0.15 (180deg=-0.25!) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 1.04 (180deg=0.649) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -118:sc= 0.293 (180deg=-0.279) USER MOD Single : A 24 HIS : no HE2:sc= 0.766 K(o=0.77,f=-4.1!) USER MOD Single : A 28 GLN : amide:sc= 0.419 K(o=0.42,f=-0.2) USER MOD Single : A 29 SER OG : rot -73:sc= 1.2 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= 1.21 (180deg=0.166) USER MOD Single : A 44 HIS : no HE2:sc= 0.0251 K(o=0.025,f=-2.3) USER MOD Single : A 46 THR OG1 : rot -162:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0.703 (180deg=0.569) USER MOD Single : A 53 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-2.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.0217 (180deg=-0.0592) USER MOD Single : A 79 THR OG1 : rot -140:sc= 1.17 USER MOD Single : A 81 ASN : amide:sc= 0.621 K(o=0.62,f=-7.5!) USER MOD Single : A 84 SER OG : rot -60:sc= 0.174 USER MOD Single : A 86 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.952) USER MOD Single : A 88 TYR OH : rot 8:sc= 1.23 USER MOD Single : A 95 GLN : amide:sc= 0.423 K(o=0.42,f=-0.098) USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= 0.886 (180deg=0.0195) USER MOD Single : A 105 LYS NZ :NH3+ -97:sc= 0.962 (180deg=-0.806!) USER MOD Single : A 109 SER OG : rot -23:sc= 1.12 USER MOD Single : A 111 SER OG : rot -78:sc= 0.879 USER MOD Single : A 112 SER OG : rot 49:sc= 0.954 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.319 35.040 -1.142 1.00 0.00 N ATOM 2 CA GLY A 1 12.362 35.448 -0.084 1.00 0.00 C ATOM 3 C GLY A 1 12.352 34.455 1.042 1.00 0.00 C ATOM 4 O GLY A 1 13.291 33.684 1.142 1.00 0.00 O ATOM 0 H1 GLY A 1 14.001 35.807 -1.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.827 34.184 -0.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.801 34.842 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.633 36.433 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.361 35.534 -0.507 1.00 0.00 H new ATOM 10 N SER A 2 11.319 34.451 1.875 1.00 0.00 N ATOM 11 CA SER A 2 11.221 33.461 2.945 1.00 0.00 C ATOM 12 C SER A 2 11.124 32.086 2.283 1.00 0.00 C ATOM 13 O SER A 2 10.465 31.958 1.246 1.00 0.00 O ATOM 14 CB SER A 2 9.976 33.722 3.788 1.00 0.00 C ATOM 15 OG SER A 2 9.942 35.082 4.191 1.00 0.00 O ATOM 0 H SER A 2 10.544 35.113 1.834 1.00 0.00 H new ATOM 0 HA SER A 2 12.090 33.515 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.081 33.481 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.977 33.074 4.664 1.00 0.00 H new ATOM 0 HG SER A 2 9.140 35.243 4.730 1.00 0.00 H new ATOM 21 N PRO A 3 11.777 31.056 2.850 1.00 0.00 N ATOM 22 CA PRO A 3 11.717 29.769 2.149 1.00 0.00 C ATOM 23 C PRO A 3 10.328 29.140 2.115 1.00 0.00 C ATOM 24 O PRO A 3 9.542 29.219 3.070 1.00 0.00 O ATOM 25 CB PRO A 3 12.710 28.904 2.929 1.00 0.00 C ATOM 26 CG PRO A 3 12.709 29.485 4.288 1.00 0.00 C ATOM 27 CD PRO A 3 12.597 30.964 4.072 1.00 0.00 C ATOM 0 HA PRO A 3 11.959 29.879 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.402 27.859 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.704 28.938 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.875 29.107 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.622 29.232 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.120 31.461 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.574 31.428 3.939 1.00 0.00 H new ATOM 35 N GLU A 4 10.036 28.522 0.983 1.00 0.00 N ATOM 36 CA GLU A 4 8.735 27.908 0.721 1.00 0.00 C ATOM 37 C GLU A 4 8.463 26.757 1.672 1.00 0.00 C ATOM 38 O GLU A 4 7.327 26.527 2.055 1.00 0.00 O ATOM 39 CB GLU A 4 8.626 27.414 -0.737 1.00 0.00 C ATOM 40 CG GLU A 4 9.938 26.952 -1.387 1.00 0.00 C ATOM 41 CD GLU A 4 10.835 28.123 -1.764 1.00 0.00 C ATOM 42 OE1 GLU A 4 11.906 28.261 -1.129 1.00 0.00 O ATOM 43 OE2 GLU A 4 10.467 28.918 -2.650 1.00 0.00 O ATOM 0 H GLU A 4 10.696 28.429 0.211 1.00 0.00 H new ATOM 0 HA GLU A 4 7.984 28.681 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.916 26.587 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.206 28.217 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.471 26.295 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.714 26.366 -2.278 1.00 0.00 H new ATOM 50 N PHE A 5 9.502 26.043 2.078 1.00 0.00 N ATOM 51 CA PHE A 5 9.325 24.922 2.996 1.00 0.00 C ATOM 52 C PHE A 5 8.773 25.402 4.334 1.00 0.00 C ATOM 53 O PHE A 5 7.958 24.726 4.952 1.00 0.00 O ATOM 54 CB PHE A 5 10.651 24.193 3.200 1.00 0.00 C ATOM 55 CG PHE A 5 11.194 23.582 1.938 1.00 0.00 C ATOM 56 CD1 PHE A 5 12.192 24.240 1.192 1.00 0.00 C ATOM 57 CD2 PHE A 5 10.700 22.346 1.479 1.00 0.00 C ATOM 58 CE1 PHE A 5 12.690 23.673 -0.008 1.00 0.00 C ATOM 59 CE2 PHE A 5 11.190 21.769 0.283 1.00 0.00 C ATOM 60 CZ PHE A 5 12.184 22.437 -0.463 1.00 0.00 C ATOM 0 H PHE A 5 10.466 26.214 1.792 1.00 0.00 H new ATOM 0 HA PHE A 5 8.606 24.229 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 5 11.384 24.893 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.516 23.410 3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 5 12.582 25.186 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.938 21.832 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 5 13.455 24.186 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.804 20.820 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.556 22.004 -1.379 1.00 0.00 H new ATOM 70 N ASN A 6 9.201 26.576 4.776 1.00 0.00 N ATOM 71 CA ASN A 6 8.694 27.135 6.026 1.00 0.00 C ATOM 72 C ASN A 6 7.340 27.785 5.773 1.00 0.00 C ATOM 73 O ASN A 6 6.422 27.676 6.582 1.00 0.00 O ATOM 74 CB ASN A 6 9.664 28.164 6.614 1.00 0.00 C ATOM 75 CG ASN A 6 10.957 27.539 7.081 1.00 0.00 C ATOM 76 OD1 ASN A 6 11.727 27.019 6.293 1.00 0.00 O ATOM 77 ND2 ASN A 6 11.204 27.596 8.360 1.00 0.00 N ATOM 0 H ASN A 6 9.890 27.156 4.296 1.00 0.00 H new ATOM 0 HA ASN A 6 8.590 26.325 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.882 28.924 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.186 28.672 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 6 12.066 27.197 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 6 10.535 28.040 8.989 1.00 0.00 H new ATOM 84 N ARG A 7 7.215 28.455 4.634 1.00 0.00 N ATOM 85 CA ARG A 7 5.969 29.140 4.264 1.00 0.00 C ATOM 86 C ARG A 7 4.791 28.173 4.205 1.00 0.00 C ATOM 87 O ARG A 7 3.689 28.501 4.632 1.00 0.00 O ATOM 88 CB ARG A 7 6.155 29.801 2.895 1.00 0.00 C ATOM 89 CG ARG A 7 4.981 30.639 2.428 1.00 0.00 C ATOM 90 CD ARG A 7 5.245 31.159 1.028 1.00 0.00 C ATOM 91 NE ARG A 7 4.075 31.869 0.484 1.00 0.00 N ATOM 92 CZ ARG A 7 3.981 32.355 -0.749 1.00 0.00 C ATOM 93 NH1 ARG A 7 4.956 32.252 -1.619 1.00 0.00 N ATOM 94 NH2 ARG A 7 2.882 32.956 -1.111 1.00 0.00 N ATOM 0 H ARG A 7 7.961 28.542 3.944 1.00 0.00 H new ATOM 0 HA ARG A 7 5.748 29.888 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.043 30.432 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.346 29.024 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.069 30.042 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.823 31.473 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.104 31.830 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.503 30.327 0.373 1.00 0.00 H new ATOM 0 HE ARG A 7 3.274 31.998 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.825 31.786 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.846 32.638 -2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.110 33.048 -0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.795 33.334 -2.054 1.00 0.00 H new ATOM 108 N TYR A 8 5.033 26.991 3.666 1.00 0.00 N ATOM 109 CA TYR A 8 3.993 25.983 3.486 1.00 0.00 C ATOM 110 C TYR A 8 4.091 24.867 4.519 1.00 0.00 C ATOM 111 O TYR A 8 3.520 23.791 4.332 1.00 0.00 O ATOM 112 CB TYR A 8 4.108 25.384 2.083 1.00 0.00 C ATOM 113 CG TYR A 8 4.115 26.414 0.963 1.00 0.00 C ATOM 114 CD1 TYR A 8 3.219 27.508 0.964 1.00 0.00 C ATOM 115 CD2 TYR A 8 5.014 26.292 -0.115 1.00 0.00 C ATOM 116 CE1 TYR A 8 3.218 28.449 -0.097 1.00 0.00 C ATOM 117 CE2 TYR A 8 5.017 27.237 -1.175 1.00 0.00 C ATOM 118 CZ TYR A 8 4.119 28.304 -1.153 1.00 0.00 C ATOM 119 OH TYR A 8 4.127 29.216 -2.177 1.00 0.00 O ATOM 0 H TYR A 8 5.954 26.699 3.340 1.00 0.00 H new ATOM 0 HA TYR A 8 3.028 26.473 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.024 24.795 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.277 24.697 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.526 27.629 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.711 25.467 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.522 29.275 -0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.712 27.130 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 8 4.815 28.969 -2.830 1.00 0.00 H new ATOM 129 N SER A 9 4.808 25.108 5.613 1.00 0.00 N ATOM 130 CA SER A 9 4.997 24.071 6.634 1.00 0.00 C ATOM 131 C SER A 9 3.692 23.488 7.144 1.00 0.00 C ATOM 132 O SER A 9 3.643 22.318 7.452 1.00 0.00 O ATOM 133 CB SER A 9 5.767 24.608 7.839 1.00 0.00 C ATOM 134 OG SER A 9 7.140 24.750 7.546 1.00 0.00 O ATOM 0 H SER A 9 5.264 25.997 5.818 1.00 0.00 H new ATOM 0 HA SER A 9 5.562 23.285 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.355 25.572 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.641 23.932 8.685 1.00 0.00 H new ATOM 0 HG SER A 9 7.291 24.577 6.593 1.00 0.00 H new ATOM 140 N LYS A 10 2.636 24.283 7.232 1.00 0.00 N ATOM 141 CA LYS A 10 1.364 23.772 7.753 1.00 0.00 C ATOM 142 C LYS A 10 0.819 22.593 6.930 1.00 0.00 C ATOM 143 O LYS A 10 0.568 21.518 7.476 1.00 0.00 O ATOM 144 CB LYS A 10 0.323 24.905 7.867 1.00 0.00 C ATOM 145 CG LYS A 10 0.186 25.800 6.625 1.00 0.00 C ATOM 146 CD LYS A 10 -0.901 26.849 6.810 1.00 0.00 C ATOM 147 CE LYS A 10 -1.064 27.697 5.546 1.00 0.00 C ATOM 148 NZ LYS A 10 -1.554 26.885 4.384 1.00 0.00 N ATOM 0 H LYS A 10 2.626 25.265 6.957 1.00 0.00 H new ATOM 0 HA LYS A 10 1.562 23.385 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.649 24.462 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.585 25.532 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.137 26.292 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.045 25.185 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.846 26.361 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.651 27.492 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.764 28.509 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.108 28.155 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.683 27.504 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.857 26.147 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.462 26.441 4.629 1.00 0.00 H new ATOM 162 N GLU A 11 0.644 22.774 5.630 1.00 0.00 N ATOM 163 CA GLU A 11 0.068 21.718 4.806 1.00 0.00 C ATOM 164 C GLU A 11 1.092 20.647 4.504 1.00 0.00 C ATOM 165 O GLU A 11 0.751 19.473 4.433 1.00 0.00 O ATOM 166 CB GLU A 11 -0.489 22.285 3.502 1.00 0.00 C ATOM 167 CG GLU A 11 -1.700 23.210 3.687 1.00 0.00 C ATOM 168 CD GLU A 11 -2.964 22.451 4.065 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.855 22.316 3.210 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.072 21.975 5.215 1.00 0.00 O ATOM 0 H GLU A 11 0.888 23.627 5.127 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.750 21.270 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.301 22.836 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.773 21.458 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.477 23.944 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.875 23.763 2.764 1.00 0.00 H new ATOM 177 N HIS A 12 2.349 21.032 4.337 1.00 0.00 N ATOM 178 CA HIS A 12 3.389 20.049 4.055 1.00 0.00 C ATOM 179 C HIS A 12 3.582 19.127 5.257 1.00 0.00 C ATOM 180 O HIS A 12 3.711 17.928 5.093 1.00 0.00 O ATOM 181 CB HIS A 12 4.704 20.734 3.677 1.00 0.00 C ATOM 182 CG HIS A 12 5.748 19.787 3.168 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.626 19.033 2.026 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.971 19.463 3.672 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.725 18.304 1.886 1.00 0.00 C ATOM 186 NE2 HIS A 12 7.587 18.530 2.859 1.00 0.00 N ATOM 0 H HIS A 12 2.671 21.998 4.390 1.00 0.00 H new ATOM 0 HA HIS A 12 3.072 19.447 3.203 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.506 21.487 2.915 1.00 0.00 H new ATOM 0 HB3 HIS A 12 5.095 21.258 4.549 1.00 0.00 H new ATOM 0 HD1 HIS A 12 4.826 19.034 1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.397 19.875 4.575 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.894 17.611 1.075 1.00 0.00 H new ATOM 194 N MET A 13 3.582 19.666 6.471 1.00 0.00 N ATOM 195 CA MET A 13 3.721 18.822 7.661 1.00 0.00 C ATOM 196 C MET A 13 2.484 17.955 7.826 1.00 0.00 C ATOM 197 O MET A 13 2.601 16.787 8.175 1.00 0.00 O ATOM 198 CB MET A 13 3.948 19.658 8.923 1.00 0.00 C ATOM 199 CG MET A 13 4.265 18.825 10.160 1.00 0.00 C ATOM 200 SD MET A 13 4.544 19.844 11.628 1.00 0.00 S ATOM 201 CE MET A 13 6.164 20.575 11.279 1.00 0.00 C ATOM 0 H MET A 13 3.489 20.664 6.660 1.00 0.00 H new ATOM 0 HA MET A 13 4.596 18.187 7.522 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.768 20.354 8.745 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.058 20.256 9.117 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.442 18.136 10.351 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.150 18.219 9.969 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.519 21.110 12.160 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.872 19.786 11.023 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.077 21.270 10.443 1.00 0.00 H new ATOM 211 N LYS A 14 1.305 18.511 7.555 1.00 0.00 N ATOM 212 CA LYS A 14 0.063 17.725 7.617 1.00 0.00 C ATOM 213 C LYS A 14 0.206 16.510 6.705 1.00 0.00 C ATOM 214 O LYS A 14 -0.067 15.376 7.112 1.00 0.00 O ATOM 215 CB LYS A 14 -1.123 18.586 7.160 1.00 0.00 C ATOM 216 CG LYS A 14 -2.469 17.851 7.107 1.00 0.00 C ATOM 217 CD LYS A 14 -3.541 18.703 6.414 1.00 0.00 C ATOM 218 CE LYS A 14 -3.361 18.722 4.884 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.344 19.651 4.227 1.00 0.00 N ATOM 0 H LYS A 14 1.178 19.489 7.293 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.118 17.398 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.216 19.438 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.904 18.985 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.350 16.908 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.793 17.607 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.529 18.312 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.498 19.723 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.345 19.033 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.490 17.715 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.008 19.893 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.271 19.184 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.433 20.519 4.793 1.00 0.00 H new ATOM 233 N LYS A 15 0.649 16.762 5.480 1.00 0.00 N ATOM 234 CA LYS A 15 0.850 15.707 4.494 1.00 0.00 C ATOM 235 C LYS A 15 1.892 14.712 4.982 1.00 0.00 C ATOM 236 O LYS A 15 1.623 13.529 5.050 1.00 0.00 O ATOM 237 CB LYS A 15 1.275 16.324 3.151 1.00 0.00 C ATOM 238 CG LYS A 15 0.315 16.055 1.992 1.00 0.00 C ATOM 239 CD LYS A 15 -1.080 16.670 2.180 1.00 0.00 C ATOM 240 CE LYS A 15 -2.056 16.149 1.115 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.578 14.779 1.458 1.00 0.00 N ATOM 0 H LYS A 15 0.878 17.697 5.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.088 15.171 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.377 17.402 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.260 15.940 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.752 16.446 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.211 14.978 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.457 16.429 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.014 17.756 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.891 16.842 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.555 16.115 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.366 14.539 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.817 14.079 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.912 14.771 2.443 1.00 0.00 H new ATOM 255 N MET A 16 3.075 15.186 5.346 1.00 0.00 N ATOM 256 CA MET A 16 4.132 14.291 5.815 1.00 0.00 C ATOM 257 C MET A 16 3.656 13.402 6.952 1.00 0.00 C ATOM 258 O MET A 16 3.763 12.188 6.871 1.00 0.00 O ATOM 259 CB MET A 16 5.355 15.074 6.306 1.00 0.00 C ATOM 260 CG MET A 16 6.163 15.724 5.208 1.00 0.00 C ATOM 261 SD MET A 16 7.767 16.315 5.816 1.00 0.00 S ATOM 262 CE MET A 16 7.291 17.714 6.840 1.00 0.00 C ATOM 0 H MET A 16 3.329 16.174 5.328 1.00 0.00 H new ATOM 0 HA MET A 16 4.405 13.675 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.022 15.845 7.001 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.002 14.399 6.866 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.321 15.009 4.400 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.602 16.560 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.177 18.293 7.099 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.592 18.346 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.814 17.352 7.751 1.00 0.00 H new ATOM 272 N MET A 17 3.142 13.999 8.015 1.00 0.00 N ATOM 273 CA MET A 17 2.769 13.224 9.193 1.00 0.00 C ATOM 274 C MET A 17 1.689 12.188 8.895 1.00 0.00 C ATOM 275 O MET A 17 1.822 11.032 9.287 1.00 0.00 O ATOM 276 CB MET A 17 2.304 14.153 10.323 1.00 0.00 C ATOM 277 CG MET A 17 3.397 15.091 10.851 1.00 0.00 C ATOM 278 SD MET A 17 4.761 14.217 11.653 1.00 0.00 S ATOM 279 CE MET A 17 5.809 15.595 12.162 1.00 0.00 C ATOM 0 H MET A 17 2.974 15.002 8.090 1.00 0.00 H new ATOM 0 HA MET A 17 3.661 12.683 9.508 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.467 14.753 9.965 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.931 13.546 11.148 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.790 15.682 10.024 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.955 15.790 11.561 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.693 15.211 12.672 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.115 16.163 11.284 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.253 16.244 12.838 1.00 0.00 H new ATOM 289 N LYS A 18 0.616 12.581 8.218 1.00 0.00 N ATOM 290 CA LYS A 18 -0.482 11.641 7.981 1.00 0.00 C ATOM 291 C LYS A 18 -0.248 10.704 6.802 1.00 0.00 C ATOM 292 O LYS A 18 -0.677 9.556 6.827 1.00 0.00 O ATOM 293 CB LYS A 18 -1.790 12.399 7.761 1.00 0.00 C ATOM 294 CG LYS A 18 -3.018 11.554 8.083 1.00 0.00 C ATOM 295 CD LYS A 18 -3.513 11.829 9.495 1.00 0.00 C ATOM 296 CE LYS A 18 -4.524 10.778 9.934 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.858 9.622 10.630 1.00 0.00 N ATOM 0 H LYS A 18 0.480 13.515 7.832 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.538 11.021 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.796 13.294 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.843 12.731 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.811 11.770 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.774 10.497 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.669 11.837 10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.969 12.818 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.255 11.233 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.071 10.413 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.023 8.749 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.835 9.800 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.255 9.517 11.586 1.00 0.00 H new ATOM 311 N ASP A 19 0.414 11.171 5.762 1.00 0.00 N ATOM 312 CA ASP A 19 0.579 10.331 4.582 1.00 0.00 C ATOM 313 C ASP A 19 1.819 9.452 4.661 1.00 0.00 C ATOM 314 O ASP A 19 1.884 8.442 3.982 1.00 0.00 O ATOM 315 CB ASP A 19 0.521 11.167 3.310 1.00 0.00 C ATOM 316 CG ASP A 19 -0.790 11.933 3.200 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.856 11.321 3.405 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.765 13.146 2.922 1.00 0.00 O ATOM 0 H ASP A 19 0.836 12.098 5.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.261 9.638 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.355 11.869 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.637 10.518 2.442 1.00 0.00 H new ATOM 323 N LEU A 20 2.792 9.771 5.510 1.00 0.00 N ATOM 324 CA LEU A 20 3.897 8.819 5.717 1.00 0.00 C ATOM 325 C LEU A 20 3.442 7.769 6.712 1.00 0.00 C ATOM 326 O LEU A 20 3.935 6.645 6.714 1.00 0.00 O ATOM 327 CB LEU A 20 5.186 9.485 6.182 1.00 0.00 C ATOM 328 CG LEU A 20 5.836 10.365 5.103 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.064 11.053 5.685 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.233 9.526 3.869 1.00 0.00 C ATOM 0 H LEU A 20 2.847 10.637 6.047 1.00 0.00 H new ATOM 0 HA LEU A 20 4.136 8.362 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.976 10.095 7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.894 8.716 6.490 1.00 0.00 H new ATOM 0 HG LEU A 20 5.113 11.115 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.527 11.678 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.767 11.673 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.778 10.301 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.691 10.173 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.944 8.756 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.344 9.056 3.447 1.00 0.00 H new ATOM 342 N GLU A 21 2.467 8.117 7.532 1.00 0.00 N ATOM 343 CA GLU A 21 1.818 7.128 8.384 1.00 0.00 C ATOM 344 C GLU A 21 1.106 6.168 7.418 1.00 0.00 C ATOM 345 O GLU A 21 1.156 4.940 7.568 1.00 0.00 O ATOM 346 CB GLU A 21 0.832 7.836 9.308 1.00 0.00 C ATOM 347 CG GLU A 21 -0.046 6.943 10.135 1.00 0.00 C ATOM 348 CD GLU A 21 -1.239 7.716 10.670 1.00 0.00 C ATOM 349 OE1 GLU A 21 -2.373 7.196 10.596 1.00 0.00 O ATOM 350 OE2 GLU A 21 -1.061 8.856 11.152 1.00 0.00 O ATOM 0 H GLU A 21 2.107 9.067 7.629 1.00 0.00 H new ATOM 0 HA GLU A 21 2.515 6.584 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.394 8.484 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.195 8.481 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.391 6.103 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.527 6.527 10.964 1.00 0.00 H new ATOM 357 N GLY A 22 0.477 6.743 6.398 1.00 0.00 N ATOM 358 CA GLY A 22 -0.157 5.953 5.360 1.00 0.00 C ATOM 359 C GLY A 22 0.857 5.118 4.598 1.00 0.00 C ATOM 360 O GLY A 22 0.576 3.988 4.252 1.00 0.00 O ATOM 0 H GLY A 22 0.395 7.752 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.907 5.299 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.680 6.613 4.668 1.00 0.00 H new ATOM 364 N LEU A 23 2.046 5.651 4.347 1.00 0.00 N ATOM 365 CA LEU A 23 3.106 4.902 3.658 1.00 0.00 C ATOM 366 C LEU A 23 3.539 3.710 4.523 1.00 0.00 C ATOM 367 O LEU A 23 3.762 2.590 4.033 1.00 0.00 O ATOM 368 CB LEU A 23 4.278 5.843 3.343 1.00 0.00 C ATOM 369 CG LEU A 23 5.069 5.527 2.064 1.00 0.00 C ATOM 370 CD1 LEU A 23 5.912 6.724 1.653 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.981 4.311 2.252 1.00 0.00 C ATOM 0 H LEU A 23 2.307 6.602 4.609 1.00 0.00 H new ATOM 0 HA LEU A 23 2.736 4.506 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.892 6.859 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.968 5.827 4.187 1.00 0.00 H new ATOM 0 HG LEU A 23 4.344 5.300 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.466 6.484 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.263 7.579 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.612 6.967 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.524 4.117 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.691 4.509 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.378 3.440 2.507 1.00 0.00 H new ATOM 383 N HIS A 24 3.622 3.925 5.826 1.00 0.00 N ATOM 384 CA HIS A 24 3.926 2.821 6.725 1.00 0.00 C ATOM 385 C HIS A 24 2.765 1.825 6.687 1.00 0.00 C ATOM 386 O HIS A 24 2.961 0.624 6.842 1.00 0.00 O ATOM 387 CB HIS A 24 4.198 3.306 8.145 1.00 0.00 C ATOM 388 CG HIS A 24 4.873 2.275 8.994 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.065 1.645 8.630 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.538 1.714 10.186 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.393 0.769 9.566 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.491 0.796 10.513 1.00 0.00 N ATOM 0 H HIS A 24 3.487 4.830 6.278 1.00 0.00 H new ATOM 0 HA HIS A 24 4.839 2.329 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.820 4.200 8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.256 3.594 8.612 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.597 1.830 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.665 1.955 10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.266 0.133 9.551 1.00 0.00 H new ATOM 400 N ARG A 25 1.555 2.310 6.440 1.00 0.00 N ATOM 401 CA ARG A 25 0.415 1.411 6.234 1.00 0.00 C ATOM 402 C ARG A 25 0.510 0.713 4.870 1.00 0.00 C ATOM 403 O ARG A 25 -0.045 -0.343 4.706 1.00 0.00 O ATOM 404 CB ARG A 25 -0.915 2.163 6.353 1.00 0.00 C ATOM 405 CG ARG A 25 -1.875 1.560 7.384 1.00 0.00 C ATOM 406 CD ARG A 25 -3.181 1.049 6.757 1.00 0.00 C ATOM 407 NE ARG A 25 -3.056 -0.298 6.163 1.00 0.00 N ATOM 408 CZ ARG A 25 -2.993 -0.572 4.861 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.008 0.361 3.937 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.921 -1.817 4.482 1.00 0.00 N ATOM 0 H ARG A 25 1.334 3.304 6.377 1.00 0.00 H new ATOM 0 HA ARG A 25 0.448 0.653 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.713 3.200 6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.404 2.175 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.378 0.737 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.109 2.312 8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.960 1.031 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.505 1.749 5.987 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.014 -1.088 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.070 1.343 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.958 0.103 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.914 -2.562 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.872 -2.046 3.489 1.00 0.00 H new ATOM 424 N ALA A 26 1.228 1.265 3.904 1.00 0.00 N ATOM 425 CA ALA A 26 1.449 0.564 2.632 1.00 0.00 C ATOM 426 C ALA A 26 2.441 -0.586 2.875 1.00 0.00 C ATOM 427 O ALA A 26 2.335 -1.658 2.267 1.00 0.00 O ATOM 428 CB ALA A 26 1.966 1.515 1.556 1.00 0.00 C ATOM 0 H ALA A 26 1.666 2.184 3.967 1.00 0.00 H new ATOM 0 HA ALA A 26 0.502 0.163 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.119 0.965 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.237 2.309 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.911 1.951 1.879 1.00 0.00 H new ATOM 434 N GLU A 27 3.387 -0.398 3.790 1.00 0.00 N ATOM 435 CA GLU A 27 4.249 -1.531 4.177 1.00 0.00 C ATOM 436 C GLU A 27 3.325 -2.594 4.791 1.00 0.00 C ATOM 437 O GLU A 27 3.407 -3.819 4.508 1.00 0.00 O ATOM 438 CB GLU A 27 5.298 -1.134 5.219 1.00 0.00 C ATOM 439 CG GLU A 27 6.309 -0.103 4.766 1.00 0.00 C ATOM 440 CD GLU A 27 7.147 0.383 5.937 1.00 0.00 C ATOM 441 OE1 GLU A 27 7.669 -0.463 6.697 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.266 1.614 6.126 1.00 0.00 O ATOM 0 H GLU A 27 3.579 0.484 4.265 1.00 0.00 H new ATOM 0 HA GLU A 27 4.786 -1.891 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.783 -0.750 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.834 -2.031 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.957 -0.534 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.794 0.741 4.307 1.00 0.00 H new ATOM 449 N GLN A 28 2.417 -2.114 5.628 1.00 0.00 N ATOM 450 CA GLN A 28 1.439 -2.993 6.224 1.00 0.00 C ATOM 451 C GLN A 28 0.636 -3.647 5.110 1.00 0.00 C ATOM 452 O GLN A 28 0.306 -4.767 5.250 1.00 0.00 O ATOM 453 CB GLN A 28 0.510 -2.274 7.208 1.00 0.00 C ATOM 454 CG GLN A 28 -0.209 -3.236 8.149 1.00 0.00 C ATOM 455 CD GLN A 28 -1.482 -2.654 8.718 1.00 0.00 C ATOM 456 OE1 GLN A 28 -1.516 -1.514 9.159 1.00 0.00 O ATOM 457 NE2 GLN A 28 -2.531 -3.426 8.703 1.00 0.00 N ATOM 0 H GLN A 28 2.342 -1.135 5.903 1.00 0.00 H new ATOM 0 HA GLN A 28 1.969 -3.745 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.090 -1.563 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.228 -1.698 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.443 -4.155 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.460 -3.505 8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.463 -4.372 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.420 -3.085 9.068 1.00 0.00 H new ATOM 466 N SER A 29 0.342 -2.975 4.002 1.00 0.00 N ATOM 467 CA SER A 29 -0.409 -3.615 2.914 1.00 0.00 C ATOM 468 C SER A 29 0.364 -4.786 2.301 1.00 0.00 C ATOM 469 O SER A 29 -0.226 -5.817 2.051 1.00 0.00 O ATOM 470 CB SER A 29 -0.831 -2.617 1.822 1.00 0.00 C ATOM 471 OG SER A 29 0.224 -2.322 0.931 1.00 0.00 O ATOM 0 H SER A 29 0.604 -2.004 3.829 1.00 0.00 H new ATOM 0 HA SER A 29 -1.319 -4.007 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.672 -3.027 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.178 -1.695 2.289 1.00 0.00 H new ATOM 0 HG SER A 29 0.882 -1.752 1.381 1.00 0.00 H new ATOM 477 N LEU A 30 1.673 -4.656 2.090 1.00 0.00 N ATOM 478 CA LEU A 30 2.491 -5.792 1.590 1.00 0.00 C ATOM 479 C LEU A 30 2.366 -6.916 2.650 1.00 0.00 C ATOM 480 O LEU A 30 2.125 -8.116 2.334 1.00 0.00 O ATOM 481 CB LEU A 30 3.949 -5.321 1.335 1.00 0.00 C ATOM 482 CG LEU A 30 5.112 -5.457 2.343 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.829 -6.766 2.197 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.120 -4.319 2.143 1.00 0.00 C ATOM 0 H LEU A 30 2.196 -3.795 2.250 1.00 0.00 H new ATOM 0 HA LEU A 30 2.146 -6.176 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.275 -5.833 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.883 -4.260 1.095 1.00 0.00 H new ATOM 0 HG LEU A 30 4.678 -5.409 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.639 -6.820 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.131 -7.585 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.239 -6.846 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.935 -4.425 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.519 -4.360 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.623 -3.361 2.298 1.00 0.00 H new ATOM 496 N HIS A 31 2.488 -6.536 3.919 1.00 0.00 N ATOM 497 CA HIS A 31 2.381 -7.546 4.976 1.00 0.00 C ATOM 498 C HIS A 31 0.971 -8.124 5.141 1.00 0.00 C ATOM 499 O HIS A 31 0.831 -9.296 5.419 1.00 0.00 O ATOM 500 CB HIS A 31 2.911 -7.004 6.292 1.00 0.00 C ATOM 501 CG HIS A 31 4.369 -6.670 6.238 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.335 -7.520 5.681 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.063 -5.574 6.640 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.522 -6.934 5.781 1.00 0.00 C ATOM 505 NE2 HIS A 31 6.378 -5.765 6.351 1.00 0.00 N ATOM 0 H HIS A 31 2.654 -5.581 4.235 1.00 0.00 H new ATOM 0 HA HIS A 31 3.004 -8.383 4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.348 -6.111 6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.741 -7.740 7.078 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.156 -8.435 5.268 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.641 -4.698 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.458 -7.355 5.445 1.00 0.00 H new ATOM 513 N ASP A 32 -0.055 -7.317 4.947 1.00 0.00 N ATOM 514 CA ASP A 32 -1.442 -7.758 5.036 1.00 0.00 C ATOM 515 C ASP A 32 -1.655 -8.720 3.895 1.00 0.00 C ATOM 516 O ASP A 32 -2.314 -9.728 4.052 1.00 0.00 O ATOM 517 CB ASP A 32 -2.438 -6.590 4.862 1.00 0.00 C ATOM 518 CG ASP A 32 -2.456 -5.624 6.047 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.667 -4.406 5.812 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.281 -6.061 7.204 1.00 0.00 O ATOM 0 H ASP A 32 0.047 -6.328 4.721 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.616 -8.201 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.184 -6.038 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.440 -6.995 4.718 1.00 0.00 H new ATOM 525 N LEU A 33 -1.077 -8.405 2.744 1.00 0.00 N ATOM 526 CA LEU A 33 -1.194 -9.254 1.572 1.00 0.00 C ATOM 527 C LEU A 33 -0.606 -10.621 1.885 1.00 0.00 C ATOM 528 O LEU A 33 -1.322 -11.634 1.792 1.00 0.00 O ATOM 529 CB LEU A 33 -0.516 -8.602 0.347 1.00 0.00 C ATOM 530 CG LEU A 33 -1.479 -7.706 -0.454 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.732 -6.559 -1.163 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.259 -8.552 -1.475 1.00 0.00 C ATOM 0 H LEU A 33 -0.520 -7.563 2.599 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.246 -9.379 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.335 -8.008 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.124 -9.382 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.180 -7.255 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.445 -5.949 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.225 -5.941 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.003 -6.975 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.938 -7.910 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.560 -9.030 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.833 -9.316 -0.951 1.00 0.00 H new ATOM 544 N GLN A 34 0.663 -10.692 2.279 1.00 0.00 N ATOM 545 CA GLN A 34 1.208 -12.038 2.567 1.00 0.00 C ATOM 546 C GLN A 34 0.563 -12.728 3.781 1.00 0.00 C ATOM 547 O GLN A 34 0.302 -13.931 3.735 1.00 0.00 O ATOM 548 CB GLN A 34 2.733 -12.054 2.719 1.00 0.00 C ATOM 549 CG GLN A 34 3.301 -10.999 3.675 1.00 0.00 C ATOM 550 CD GLN A 34 4.385 -10.114 3.077 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.194 -9.543 3.825 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.416 -9.977 1.766 1.00 0.00 N ATOM 0 H GLN A 34 1.301 -9.906 2.403 1.00 0.00 H new ATOM 0 HA GLN A 34 0.943 -12.613 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.038 -13.040 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.182 -11.911 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.484 -10.366 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.706 -11.504 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.733 -10.464 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.123 -9.384 1.332 1.00 0.00 H new ATOM 561 N GLU A 35 0.287 -12.002 4.857 1.00 0.00 N ATOM 562 CA GLU A 35 -0.296 -12.632 6.042 1.00 0.00 C ATOM 563 C GLU A 35 -1.702 -13.126 5.779 1.00 0.00 C ATOM 564 O GLU A 35 -2.044 -14.228 6.176 1.00 0.00 O ATOM 565 CB GLU A 35 -0.348 -11.681 7.236 1.00 0.00 C ATOM 566 CG GLU A 35 0.973 -11.540 7.973 1.00 0.00 C ATOM 567 CD GLU A 35 0.808 -10.794 9.289 1.00 0.00 C ATOM 568 OE1 GLU A 35 1.520 -9.792 9.509 1.00 0.00 O ATOM 569 OE2 GLU A 35 -0.039 -11.225 10.115 1.00 0.00 O ATOM 0 H GLU A 35 0.452 -10.999 4.938 1.00 0.00 H new ATOM 0 HA GLU A 35 0.357 -13.473 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.666 -10.697 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.106 -12.033 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.389 -12.529 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.687 -11.011 7.342 1.00 0.00 H new ATOM 576 N ARG A 36 -2.530 -12.334 5.114 1.00 0.00 N ATOM 577 CA ARG A 36 -3.899 -12.770 4.847 1.00 0.00 C ATOM 578 C ARG A 36 -3.880 -13.873 3.818 1.00 0.00 C ATOM 579 O ARG A 36 -4.761 -14.700 3.823 1.00 0.00 O ATOM 580 CB ARG A 36 -4.797 -11.617 4.396 1.00 0.00 C ATOM 581 CG ARG A 36 -5.095 -10.622 5.525 1.00 0.00 C ATOM 582 CD ARG A 36 -5.809 -9.383 5.009 1.00 0.00 C ATOM 583 NE ARG A 36 -7.137 -9.696 4.450 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.928 -8.825 3.828 1.00 0.00 C ATOM 585 NH1 ARG A 36 -7.588 -7.574 3.663 1.00 0.00 N ATOM 586 NH2 ARG A 36 -9.070 -9.226 3.357 1.00 0.00 N ATOM 0 H ARG A 36 -2.290 -11.409 4.756 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.324 -13.146 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.318 -11.091 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.735 -12.020 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.709 -11.106 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.163 -10.330 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.919 -8.665 5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.198 -8.906 4.243 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.475 -10.653 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.692 -7.238 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.219 -6.933 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.353 -10.200 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.684 -8.567 2.879 1.00 0.00 H new ATOM 600 N LEU A 37 -2.875 -13.916 2.954 1.00 0.00 N ATOM 601 CA LEU A 37 -2.748 -15.043 2.026 1.00 0.00 C ATOM 602 C LEU A 37 -2.349 -16.316 2.794 1.00 0.00 C ATOM 603 O LEU A 37 -2.922 -17.418 2.610 1.00 0.00 O ATOM 604 CB LEU A 37 -1.688 -14.717 0.980 1.00 0.00 C ATOM 605 CG LEU A 37 -1.496 -15.733 -0.142 1.00 0.00 C ATOM 606 CD1 LEU A 37 -2.750 -15.849 -0.990 1.00 0.00 C ATOM 607 CD2 LEU A 37 -0.335 -15.272 -0.985 1.00 0.00 C ATOM 0 H LEU A 37 -2.149 -13.204 2.872 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.705 -15.215 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.939 -13.756 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.734 -14.590 1.491 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.296 -16.718 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.587 -16.579 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.583 -16.171 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.981 -14.880 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.172 -15.980 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.554 -14.288 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.562 -15.215 -0.369 1.00 0.00 H new ATOM 619 N HIS A 38 -1.368 -16.170 3.673 1.00 0.00 N ATOM 620 CA HIS A 38 -0.917 -17.302 4.465 1.00 0.00 C ATOM 621 C HIS A 38 -2.058 -17.812 5.336 1.00 0.00 C ATOM 622 O HIS A 38 -2.200 -18.998 5.511 1.00 0.00 O ATOM 623 CB HIS A 38 0.293 -16.935 5.319 1.00 0.00 C ATOM 624 CG HIS A 38 1.043 -18.127 5.828 1.00 0.00 C ATOM 625 ND1 HIS A 38 1.290 -19.260 5.089 1.00 0.00 N ATOM 626 CD2 HIS A 38 1.614 -18.367 7.041 1.00 0.00 C ATOM 627 CE1 HIS A 38 1.979 -20.106 5.844 1.00 0.00 C ATOM 628 NE2 HIS A 38 2.213 -19.613 7.043 1.00 0.00 N ATOM 0 H HIS A 38 -0.877 -15.294 3.853 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.608 -18.096 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.968 -16.313 4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.038 -16.334 6.166 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.994 -19.422 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.601 -17.685 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.308 -21.081 5.515 1.00 0.00 H new ATOM 636 N LYS A 39 -2.892 -16.917 5.849 1.00 0.00 N ATOM 637 CA LYS A 39 -4.073 -17.321 6.629 1.00 0.00 C ATOM 638 C LYS A 39 -5.180 -17.835 5.706 1.00 0.00 C ATOM 639 O LYS A 39 -6.006 -18.653 6.107 1.00 0.00 O ATOM 640 CB LYS A 39 -4.556 -16.154 7.487 1.00 0.00 C ATOM 641 CG LYS A 39 -3.548 -15.819 8.591 1.00 0.00 C ATOM 642 CD LYS A 39 -3.711 -14.409 9.123 1.00 0.00 C ATOM 643 CE LYS A 39 -2.470 -14.026 9.928 1.00 0.00 C ATOM 644 NZ LYS A 39 -2.496 -12.593 10.371 1.00 0.00 N ATOM 0 H LYS A 39 -2.781 -15.909 5.744 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.797 -18.139 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.713 -15.278 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.519 -16.403 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.664 -16.528 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.537 -15.942 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.853 -13.711 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.600 -14.345 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.393 -14.672 10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.580 -14.201 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.557 -12.169 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.199 -12.069 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.750 -12.546 11.378 1.00 0.00 H new ATOM 658 N ALA A 40 -5.183 -17.389 4.457 1.00 0.00 N ATOM 659 CA ALA A 40 -6.105 -17.931 3.465 1.00 0.00 C ATOM 660 C ALA A 40 -5.664 -19.370 3.208 1.00 0.00 C ATOM 661 O ALA A 40 -6.480 -20.232 2.891 1.00 0.00 O ATOM 662 CB ALA A 40 -6.114 -17.109 2.165 1.00 0.00 C ATOM 0 H ALA A 40 -4.563 -16.659 4.107 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.128 -17.890 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.816 -17.553 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.418 -16.085 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.115 -17.106 1.730 1.00 0.00 H new ATOM 668 N GLN A 41 -4.384 -19.671 3.384 1.00 0.00 N ATOM 669 CA GLN A 41 -4.047 -21.096 3.376 1.00 0.00 C ATOM 670 C GLN A 41 -4.429 -21.703 4.750 1.00 0.00 C ATOM 671 O GLN A 41 -5.322 -22.543 4.844 1.00 0.00 O ATOM 672 CB GLN A 41 -2.541 -21.316 3.152 1.00 0.00 C ATOM 673 CG GLN A 41 -1.996 -20.820 1.832 1.00 0.00 C ATOM 674 CD GLN A 41 -0.485 -20.932 1.785 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.225 -20.162 2.423 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.015 -21.888 1.046 1.00 0.00 N ATOM 0 H GLN A 41 -3.616 -19.014 3.523 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.594 -21.574 2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.997 -20.823 3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.332 -22.383 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.431 -21.397 1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.291 -19.782 1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.606 -22.510 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.026 -22.011 0.987 1.00 0.00 H new ATOM 685 N GLU A 42 -3.773 -21.232 5.802 1.00 0.00 N ATOM 686 CA GLU A 42 -3.848 -21.821 7.148 1.00 0.00 C ATOM 687 C GLU A 42 -5.253 -22.127 7.636 1.00 0.00 C ATOM 688 O GLU A 42 -5.539 -23.237 8.080 1.00 0.00 O ATOM 689 CB GLU A 42 -3.156 -20.872 8.138 1.00 0.00 C ATOM 690 CG GLU A 42 -2.935 -21.444 9.535 1.00 0.00 C ATOM 691 CD GLU A 42 -2.237 -20.447 10.466 1.00 0.00 C ATOM 692 OE1 GLU A 42 -1.791 -20.869 11.559 1.00 0.00 O ATOM 693 OE2 GLU A 42 -2.126 -19.250 10.107 1.00 0.00 O ATOM 0 H GLU A 42 -3.162 -20.417 5.752 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.347 -22.787 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.190 -20.581 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.752 -19.964 8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.895 -21.729 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.336 -22.352 9.463 1.00 0.00 H new ATOM 700 N GLU A 43 -6.127 -21.144 7.554 1.00 0.00 N ATOM 701 CA GLU A 43 -7.494 -21.318 7.996 1.00 0.00 C ATOM 702 C GLU A 43 -8.407 -21.675 6.830 1.00 0.00 C ATOM 703 O GLU A 43 -9.329 -22.489 6.965 1.00 0.00 O ATOM 704 CB GLU A 43 -8.000 -20.006 8.616 1.00 0.00 C ATOM 705 CG GLU A 43 -7.170 -19.474 9.784 1.00 0.00 C ATOM 706 CD GLU A 43 -7.660 -18.104 10.250 1.00 0.00 C ATOM 707 OE1 GLU A 43 -7.599 -17.140 9.446 1.00 0.00 O ATOM 708 OE2 GLU A 43 -8.116 -17.987 11.411 1.00 0.00 O ATOM 0 H GLU A 43 -5.914 -20.217 7.185 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.512 -22.127 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.032 -19.244 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.024 -20.156 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.217 -20.179 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.124 -19.404 9.485 1.00 0.00 H new ATOM 715 N HIS A 44 -8.194 -21.025 5.690 1.00 0.00 N ATOM 716 CA HIS A 44 -9.199 -21.083 4.615 1.00 0.00 C ATOM 717 C HIS A 44 -8.940 -22.110 3.530 1.00 0.00 C ATOM 718 O HIS A 44 -9.824 -22.383 2.743 1.00 0.00 O ATOM 719 CB HIS A 44 -9.441 -19.697 3.997 1.00 0.00 C ATOM 720 CG HIS A 44 -9.879 -18.663 4.988 1.00 0.00 C ATOM 721 ND1 HIS A 44 -9.039 -18.008 5.859 1.00 0.00 N ATOM 722 CD2 HIS A 44 -11.116 -18.159 5.251 1.00 0.00 C ATOM 723 CE1 HIS A 44 -9.767 -17.175 6.593 1.00 0.00 C ATOM 724 NE2 HIS A 44 -11.042 -17.219 6.260 1.00 0.00 N ATOM 0 H HIS A 44 -7.366 -20.467 5.482 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.103 -21.426 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.524 -19.359 3.514 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.198 -19.784 3.218 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -8.030 -18.140 5.929 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.024 -18.452 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.364 -16.539 7.368 1.00 0.00 H new ATOM 732 N ARG A 45 -7.741 -22.678 3.507 1.00 0.00 N ATOM 733 CA ARG A 45 -7.332 -23.723 2.548 1.00 0.00 C ATOM 734 C ARG A 45 -7.801 -23.488 1.101 1.00 0.00 C ATOM 735 O ARG A 45 -8.341 -24.385 0.440 1.00 0.00 O ATOM 736 CB ARG A 45 -7.677 -25.145 3.076 1.00 0.00 C ATOM 737 CG ARG A 45 -9.164 -25.557 3.123 1.00 0.00 C ATOM 738 CD ARG A 45 -9.863 -25.195 4.415 1.00 0.00 C ATOM 739 NE ARG A 45 -11.302 -25.113 4.146 1.00 0.00 N ATOM 740 CZ ARG A 45 -12.170 -24.336 4.770 1.00 0.00 C ATOM 741 NH1 ARG A 45 -11.836 -23.525 5.747 1.00 0.00 N ATOM 742 NH2 ARG A 45 -13.410 -24.381 4.379 1.00 0.00 N ATOM 0 H ARG A 45 -7.003 -22.427 4.164 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.246 -23.651 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.149 -25.869 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.273 -25.234 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.688 -25.083 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.237 -26.634 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.661 -25.944 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.492 -24.243 4.795 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.668 -25.713 3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.866 -23.474 6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.547 -22.946 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.682 -25.001 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.110 -23.796 4.835 1.00 0.00 H new ATOM 756 N THR A 46 -7.568 -22.273 0.616 1.00 0.00 N ATOM 757 CA THR A 46 -7.871 -21.907 -0.766 1.00 0.00 C ATOM 758 C THR A 46 -7.389 -22.980 -1.742 1.00 0.00 C ATOM 759 O THR A 46 -6.297 -23.519 -1.597 1.00 0.00 O ATOM 760 CB THR A 46 -7.191 -20.577 -1.115 1.00 0.00 C ATOM 761 OG1 THR A 46 -7.433 -19.652 -0.055 1.00 0.00 O ATOM 762 CG2 THR A 46 -7.740 -19.984 -2.406 1.00 0.00 C ATOM 0 H THR A 46 -7.165 -21.515 1.167 1.00 0.00 H new ATOM 0 HA THR A 46 -8.953 -21.811 -0.855 1.00 0.00 H new ATOM 0 HB THR A 46 -6.125 -20.763 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.272 -18.739 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.233 -19.043 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.571 -20.681 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.809 -19.804 -2.298 1.00 0.00 H new ATOM 770 N VAL A 47 -8.218 -23.293 -2.729 1.00 0.00 N ATOM 771 CA VAL A 47 -7.942 -24.366 -3.692 1.00 0.00 C ATOM 772 C VAL A 47 -6.590 -24.215 -4.419 1.00 0.00 C ATOM 773 O VAL A 47 -5.993 -25.199 -4.847 1.00 0.00 O ATOM 774 CB VAL A 47 -9.134 -24.475 -4.705 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.169 -23.276 -5.675 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.092 -25.795 -5.481 1.00 0.00 C ATOM 0 H VAL A 47 -9.104 -22.813 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.854 -25.295 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.052 -24.457 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.008 -23.388 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.284 -22.352 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.239 -23.240 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.933 -25.837 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.158 -25.859 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.155 -26.630 -4.783 1.00 0.00 H new ATOM 786 N GLU A 48 -6.087 -22.995 -4.542 1.00 0.00 N ATOM 787 CA GLU A 48 -4.795 -22.761 -5.190 1.00 0.00 C ATOM 788 C GLU A 48 -3.642 -22.778 -4.177 1.00 0.00 C ATOM 789 O GLU A 48 -2.659 -22.074 -4.348 1.00 0.00 O ATOM 790 CB GLU A 48 -4.806 -21.429 -5.957 1.00 0.00 C ATOM 791 CG GLU A 48 -5.126 -20.206 -5.095 1.00 0.00 C ATOM 792 CD GLU A 48 -4.749 -18.899 -5.773 1.00 0.00 C ATOM 793 OE1 GLU A 48 -4.619 -17.884 -5.057 1.00 0.00 O ATOM 794 OE2 GLU A 48 -4.571 -18.877 -7.014 1.00 0.00 O ATOM 0 H GLU A 48 -6.549 -22.151 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.633 -23.575 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.832 -21.284 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.539 -21.493 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.191 -20.197 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.595 -20.285 -4.146 1.00 0.00 H new ATOM 801 N VAL A 49 -3.760 -23.585 -3.130 1.00 0.00 N ATOM 802 CA VAL A 49 -2.739 -23.668 -2.071 1.00 0.00 C ATOM 803 C VAL A 49 -1.327 -23.957 -2.621 1.00 0.00 C ATOM 804 O VAL A 49 -0.338 -23.453 -2.097 1.00 0.00 O ATOM 805 CB VAL A 49 -3.170 -24.727 -0.980 1.00 0.00 C ATOM 806 CG1 VAL A 49 -3.253 -26.150 -1.562 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.233 -24.699 0.231 1.00 0.00 C ATOM 0 H VAL A 49 -4.559 -24.201 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.677 -22.687 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.168 -24.444 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.552 -26.847 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.988 -26.172 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.278 -26.441 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.559 -25.440 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.217 -24.929 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.255 -23.708 0.685 1.00 0.00 H new ATOM 817 N GLU A 50 -1.237 -24.735 -3.691 1.00 0.00 N ATOM 818 CA GLU A 50 0.053 -25.070 -4.313 1.00 0.00 C ATOM 819 C GLU A 50 0.615 -23.911 -5.152 1.00 0.00 C ATOM 820 O GLU A 50 1.761 -23.940 -5.596 1.00 0.00 O ATOM 821 CB GLU A 50 -0.130 -26.279 -5.242 1.00 0.00 C ATOM 822 CG GLU A 50 -0.682 -27.531 -4.559 1.00 0.00 C ATOM 823 CD GLU A 50 0.223 -28.039 -3.447 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.398 -28.358 -3.731 1.00 0.00 O ATOM 825 OE2 GLU A 50 -0.243 -28.128 -2.293 1.00 0.00 O ATOM 0 H GLU A 50 -2.044 -25.152 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 50 0.753 -25.286 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.801 -25.998 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.832 -26.522 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.668 -27.312 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.814 -28.317 -5.302 1.00 0.00 H new ATOM 832 N LYS A 51 -0.209 -22.900 -5.389 1.00 0.00 N ATOM 833 CA LYS A 51 0.147 -21.783 -6.267 1.00 0.00 C ATOM 834 C LYS A 51 -0.445 -20.462 -5.751 1.00 0.00 C ATOM 835 O LYS A 51 -0.857 -19.612 -6.534 1.00 0.00 O ATOM 836 CB LYS A 51 -0.388 -22.099 -7.675 1.00 0.00 C ATOM 837 CG LYS A 51 0.227 -21.273 -8.825 1.00 0.00 C ATOM 838 CD LYS A 51 -0.758 -21.110 -9.999 1.00 0.00 C ATOM 839 CE LYS A 51 -1.648 -19.844 -9.874 1.00 0.00 C ATOM 840 NZ LYS A 51 -2.642 -19.895 -8.743 1.00 0.00 N ATOM 0 H LYS A 51 -1.141 -22.826 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 51 1.230 -21.663 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.218 -23.156 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.467 -21.944 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.516 -20.290 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.136 -21.760 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.197 -21.062 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.396 -21.992 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.005 -18.974 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.187 -19.699 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.252 -19.054 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.226 -20.751 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.134 -19.916 -7.835 1.00 0.00 H new ATOM 854 N VAL A 52 -0.503 -20.286 -4.441 1.00 0.00 N ATOM 855 CA VAL A 52 -1.088 -19.062 -3.871 1.00 0.00 C ATOM 856 C VAL A 52 -0.345 -17.798 -4.295 1.00 0.00 C ATOM 857 O VAL A 52 -0.953 -16.736 -4.464 1.00 0.00 O ATOM 858 CB VAL A 52 -1.129 -19.096 -2.325 1.00 0.00 C ATOM 859 CG1 VAL A 52 -2.475 -19.632 -1.843 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.027 -19.928 -1.751 1.00 0.00 C ATOM 0 H VAL A 52 -0.161 -20.957 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.103 -19.032 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.009 -18.075 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.490 -19.651 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.275 -18.987 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.622 -20.642 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.032 -19.931 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.042 -20.951 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.977 -19.494 -2.062 1.00 0.00 H new ATOM 870 N HIS A 53 0.967 -17.899 -4.481 1.00 0.00 N ATOM 871 CA HIS A 53 1.740 -16.749 -4.936 1.00 0.00 C ATOM 872 C HIS A 53 3.022 -17.064 -5.701 1.00 0.00 C ATOM 873 O HIS A 53 3.217 -16.568 -6.817 1.00 0.00 O ATOM 874 CB HIS A 53 2.079 -15.811 -3.755 1.00 0.00 C ATOM 875 CG HIS A 53 2.848 -16.464 -2.647 1.00 0.00 C ATOM 876 ND1 HIS A 53 4.205 -16.350 -2.477 1.00 0.00 N ATOM 877 CD2 HIS A 53 2.432 -17.254 -1.619 1.00 0.00 C ATOM 878 CE1 HIS A 53 4.554 -17.055 -1.407 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.511 -17.635 -0.850 1.00 0.00 N ATOM 0 H HIS A 53 1.509 -18.749 -4.327 1.00 0.00 H new ATOM 0 HA HIS A 53 1.078 -16.264 -5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.655 -14.966 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.151 -15.408 -3.349 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.407 -17.540 -1.433 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.566 -17.142 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.503 -18.237 -0.027 1.00 0.00 H new ATOM 887 N LEU A 54 3.897 -17.853 -5.087 1.00 0.00 N ATOM 888 CA LEU A 54 5.251 -18.097 -5.590 1.00 0.00 C ATOM 889 C LEU A 54 5.989 -16.744 -5.650 1.00 0.00 C ATOM 890 O LEU A 54 5.451 -15.684 -5.265 1.00 0.00 O ATOM 891 CB LEU A 54 5.251 -18.825 -6.952 1.00 0.00 C ATOM 892 CG LEU A 54 4.438 -20.134 -7.016 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.401 -20.638 -8.456 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.025 -21.214 -6.105 1.00 0.00 C ATOM 0 H LEU A 54 3.688 -18.347 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 54 5.775 -18.770 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.863 -18.142 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.283 -19.047 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 54 3.428 -19.920 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.827 -21.563 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.932 -19.887 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.418 -20.824 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.423 -22.120 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.048 -21.432 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.023 -20.861 -5.074 1.00 0.00 H new ATOM 906 N GLU A 55 7.224 -16.766 -6.116 1.00 0.00 N ATOM 907 CA GLU A 55 8.051 -15.561 -6.154 1.00 0.00 C ATOM 908 C GLU A 55 7.407 -14.534 -7.062 1.00 0.00 C ATOM 909 O GLU A 55 7.453 -13.341 -6.800 1.00 0.00 O ATOM 910 CB GLU A 55 9.457 -15.871 -6.693 1.00 0.00 C ATOM 911 CG GLU A 55 10.195 -17.007 -5.972 1.00 0.00 C ATOM 912 CD GLU A 55 9.641 -18.388 -6.326 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.012 -18.526 -7.405 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.806 -19.317 -5.523 1.00 0.00 O ATOM 0 H GLU A 55 7.682 -17.603 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 55 8.135 -15.178 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.376 -16.125 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.062 -14.967 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.254 -16.968 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.123 -16.856 -4.895 1.00 0.00 H new ATOM 921 N LYS A 56 6.800 -15.012 -8.139 1.00 0.00 N ATOM 922 CA LYS A 56 6.182 -14.131 -9.132 1.00 0.00 C ATOM 923 C LYS A 56 5.090 -13.254 -8.521 1.00 0.00 C ATOM 924 O LYS A 56 5.152 -12.024 -8.616 1.00 0.00 O ATOM 925 CB LYS A 56 5.614 -14.961 -10.291 1.00 0.00 C ATOM 926 CG LYS A 56 6.688 -15.778 -11.034 1.00 0.00 C ATOM 927 CD LYS A 56 6.119 -16.598 -12.204 1.00 0.00 C ATOM 928 CE LYS A 56 5.766 -15.722 -13.416 1.00 0.00 C ATOM 929 NZ LYS A 56 5.301 -16.558 -14.586 1.00 0.00 N ATOM 0 H LYS A 56 6.720 -16.006 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 56 6.958 -13.465 -9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.853 -15.639 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.119 -14.295 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.455 -15.101 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.176 -16.451 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.847 -17.352 -12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.228 -17.130 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.984 -15.014 -13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.637 -15.136 -13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.071 -15.936 -15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.057 -17.216 -14.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.455 -17.098 -14.313 1.00 0.00 H new ATOM 943 N LYS A 57 4.094 -13.858 -7.890 1.00 0.00 N ATOM 944 CA LYS A 57 3.008 -13.061 -7.332 1.00 0.00 C ATOM 945 C LYS A 57 3.415 -12.435 -6.012 1.00 0.00 C ATOM 946 O LYS A 57 2.861 -11.422 -5.646 1.00 0.00 O ATOM 947 CB LYS A 57 1.733 -13.875 -7.163 1.00 0.00 C ATOM 948 CG LYS A 57 0.455 -13.039 -7.194 1.00 0.00 C ATOM 949 CD LYS A 57 -0.465 -13.337 -6.013 1.00 0.00 C ATOM 950 CE LYS A 57 0.068 -12.726 -4.712 1.00 0.00 C ATOM 951 NZ LYS A 57 -0.928 -12.736 -3.581 1.00 0.00 N ATOM 0 H LYS A 57 4.013 -14.865 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 57 2.799 -12.264 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.685 -14.624 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.780 -14.413 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.716 -11.981 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.079 -13.231 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.461 -12.944 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.567 -14.416 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.959 -13.273 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.375 -11.698 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.614 -12.082 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.859 -12.436 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.000 -13.697 -3.190 1.00 0.00 H new ATOM 965 N LEU A 58 4.388 -12.997 -5.301 1.00 0.00 N ATOM 966 CA LEU A 58 4.865 -12.318 -4.085 1.00 0.00 C ATOM 967 C LEU A 58 5.435 -10.957 -4.518 1.00 0.00 C ATOM 968 O LEU A 58 5.134 -9.891 -3.949 1.00 0.00 O ATOM 969 CB LEU A 58 5.943 -13.148 -3.380 1.00 0.00 C ATOM 970 CG LEU A 58 6.465 -12.596 -2.045 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.369 -12.568 -0.978 1.00 0.00 C ATOM 972 CD2 LEU A 58 7.627 -13.462 -1.566 1.00 0.00 C ATOM 0 H LEU A 58 4.848 -13.879 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 58 4.046 -12.189 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.544 -14.147 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.789 -13.257 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 58 6.798 -11.571 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.777 -12.172 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.549 -11.933 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.999 -13.579 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.002 -13.075 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.284 -14.488 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.425 -13.442 -2.308 1.00 0.00 H new ATOM 984 N ARG A 59 6.248 -10.997 -5.563 1.00 0.00 N ATOM 985 CA ARG A 59 6.816 -9.776 -6.109 1.00 0.00 C ATOM 986 C ARG A 59 5.707 -8.891 -6.640 1.00 0.00 C ATOM 987 O ARG A 59 5.812 -7.694 -6.514 1.00 0.00 O ATOM 988 CB ARG A 59 7.848 -10.088 -7.195 1.00 0.00 C ATOM 989 CG ARG A 59 9.157 -10.638 -6.618 1.00 0.00 C ATOM 990 CD ARG A 59 10.035 -11.281 -7.685 1.00 0.00 C ATOM 991 NE ARG A 59 10.544 -10.303 -8.662 1.00 0.00 N ATOM 992 CZ ARG A 59 11.382 -10.582 -9.656 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.853 -11.788 -9.857 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.753 -9.627 -10.464 1.00 0.00 N ATOM 0 H ARG A 59 6.526 -11.852 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 59 7.337 -9.242 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.429 -10.813 -7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.057 -9.182 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.707 -9.829 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.930 -11.373 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.876 -11.782 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.463 -12.048 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 59 10.229 -9.337 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.578 -12.552 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.494 -11.963 -10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.401 -8.679 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.395 -9.828 -11.230 1.00 0.00 H new ATOM 1008 N ASP A 60 4.650 -9.454 -7.212 1.00 0.00 N ATOM 1009 CA ASP A 60 3.527 -8.618 -7.675 1.00 0.00 C ATOM 1010 C ASP A 60 2.771 -7.925 -6.534 1.00 0.00 C ATOM 1011 O ASP A 60 2.510 -6.735 -6.616 1.00 0.00 O ATOM 1012 CB ASP A 60 2.514 -9.421 -8.488 1.00 0.00 C ATOM 1013 CG ASP A 60 1.476 -8.522 -9.153 1.00 0.00 C ATOM 1014 OD1 ASP A 60 0.263 -8.666 -8.871 1.00 0.00 O ATOM 1015 OD2 ASP A 60 1.884 -7.661 -9.957 1.00 0.00 O ATOM 0 H ASP A 60 4.538 -10.456 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 60 3.996 -7.857 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.037 -9.998 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.011 -10.136 -7.837 1.00 0.00 H new ATOM 1020 N GLU A 61 2.426 -8.644 -5.472 1.00 0.00 N ATOM 1021 CA GLU A 61 1.670 -8.039 -4.364 1.00 0.00 C ATOM 1022 C GLU A 61 2.522 -6.939 -3.708 1.00 0.00 C ATOM 1023 O GLU A 61 2.067 -5.795 -3.512 1.00 0.00 O ATOM 1024 CB GLU A 61 1.185 -9.116 -3.351 1.00 0.00 C ATOM 1025 CG GLU A 61 2.278 -9.853 -2.571 1.00 0.00 C ATOM 1026 CD GLU A 61 1.767 -10.828 -1.530 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.342 -10.833 -0.415 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.816 -11.598 -1.813 1.00 0.00 O ATOM 0 H GLU A 61 2.650 -9.631 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 61 0.764 -7.574 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.517 -8.637 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.594 -9.854 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.907 -10.394 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.913 -9.117 -2.078 1.00 0.00 H new ATOM 1035 N ILE A 62 3.772 -7.256 -3.397 1.00 0.00 N ATOM 1036 CA ILE A 62 4.667 -6.260 -2.839 1.00 0.00 C ATOM 1037 C ILE A 62 4.923 -5.120 -3.851 1.00 0.00 C ATOM 1038 O ILE A 62 5.099 -3.980 -3.451 1.00 0.00 O ATOM 1039 CB ILE A 62 5.991 -6.901 -2.329 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.675 -8.067 -1.358 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.812 -5.848 -1.571 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.890 -8.874 -0.890 1.00 0.00 C ATOM 0 H ILE A 62 4.182 -8.182 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 62 4.179 -5.819 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 62 6.552 -7.274 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.169 -7.662 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.975 -8.745 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.739 -6.297 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.044 -5.018 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.236 -5.480 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.563 -9.665 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.388 -9.316 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.585 -8.216 -0.368 1.00 0.00 H new ATOM 1054 N ASN A 63 4.920 -5.390 -5.153 1.00 0.00 N ATOM 1055 CA ASN A 63 5.070 -4.306 -6.143 1.00 0.00 C ATOM 1056 C ASN A 63 3.836 -3.418 -6.142 1.00 0.00 C ATOM 1057 O ASN A 63 3.935 -2.228 -6.392 1.00 0.00 O ATOM 1058 CB ASN A 63 5.254 -4.826 -7.576 1.00 0.00 C ATOM 1059 CG ASN A 63 6.694 -5.126 -7.917 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.629 -4.547 -7.360 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.889 -6.020 -8.848 1.00 0.00 N ATOM 0 H ASN A 63 4.818 -6.324 -5.550 1.00 0.00 H new ATOM 0 HA ASN A 63 5.963 -3.755 -5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.660 -5.730 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.867 -4.086 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.838 -6.259 -9.135 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.092 -6.480 -9.288 1.00 0.00 H new ATOM 1068 N LEU A 64 2.673 -3.983 -5.873 1.00 0.00 N ATOM 1069 CA LEU A 64 1.454 -3.188 -5.806 1.00 0.00 C ATOM 1070 C LEU A 64 1.488 -2.358 -4.542 1.00 0.00 C ATOM 1071 O LEU A 64 1.129 -1.186 -4.562 1.00 0.00 O ATOM 1072 CB LEU A 64 0.216 -4.081 -5.821 1.00 0.00 C ATOM 1073 CG LEU A 64 -0.547 -4.136 -7.152 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.194 -2.782 -7.481 1.00 0.00 C ATOM 1075 CD2 LEU A 64 0.320 -4.602 -8.325 1.00 0.00 C ATOM 0 H LEU A 64 2.544 -4.980 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 64 1.400 -2.537 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.518 -5.094 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.468 -3.737 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.329 -4.883 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.727 -2.854 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.895 -2.512 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.420 -2.018 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.279 -4.619 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.157 -3.916 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.699 -5.603 -8.122 1.00 0.00 H new ATOM 1087 N ALA A 65 1.957 -2.945 -3.450 1.00 0.00 N ATOM 1088 CA ALA A 65 2.135 -2.178 -2.214 1.00 0.00 C ATOM 1089 C ALA A 65 3.165 -1.052 -2.447 1.00 0.00 C ATOM 1090 O ALA A 65 3.050 0.055 -1.922 1.00 0.00 O ATOM 1091 CB ALA A 65 2.596 -3.096 -1.108 1.00 0.00 C ATOM 0 H ALA A 65 2.218 -3.929 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 65 1.185 -1.729 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.727 -2.523 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.850 -3.874 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.544 -3.555 -1.388 1.00 0.00 H new ATOM 1097 N LYS A 66 4.173 -1.345 -3.255 1.00 0.00 N ATOM 1098 CA LYS A 66 5.201 -0.365 -3.614 1.00 0.00 C ATOM 1099 C LYS A 66 4.590 0.766 -4.432 1.00 0.00 C ATOM 1100 O LYS A 66 5.002 1.906 -4.292 1.00 0.00 O ATOM 1101 CB LYS A 66 6.311 -1.054 -4.406 1.00 0.00 C ATOM 1102 CG LYS A 66 7.538 -0.199 -4.691 1.00 0.00 C ATOM 1103 CD LYS A 66 8.418 -0.873 -5.744 1.00 0.00 C ATOM 1104 CE LYS A 66 9.018 -2.189 -5.238 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.782 -2.877 -6.323 1.00 0.00 N ATOM 0 H LYS A 66 4.306 -2.262 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 66 5.624 0.059 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.627 -1.942 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.898 -1.395 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.230 0.787 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.107 -0.049 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.828 -1.065 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.222 -0.195 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.677 -1.992 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.223 -2.841 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.577 -3.403 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.154 -3.537 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.147 -2.170 -6.993 1.00 0.00 H new ATOM 1119 N GLN A 67 3.607 0.462 -5.269 1.00 0.00 N ATOM 1120 CA GLN A 67 2.922 1.511 -6.023 1.00 0.00 C ATOM 1121 C GLN A 67 2.150 2.351 -5.020 1.00 0.00 C ATOM 1122 O GLN A 67 2.303 3.558 -5.007 1.00 0.00 O ATOM 1123 CB GLN A 67 1.983 0.941 -7.088 1.00 0.00 C ATOM 1124 CG GLN A 67 2.714 0.364 -8.288 1.00 0.00 C ATOM 1125 CD GLN A 67 1.770 -0.268 -9.282 1.00 0.00 C ATOM 1126 OE1 GLN A 67 0.866 0.370 -9.791 1.00 0.00 O ATOM 1127 NE2 GLN A 67 1.976 -1.527 -9.561 1.00 0.00 N ATOM 0 H GLN A 67 3.268 -0.484 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 67 3.654 2.113 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.366 0.163 -6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.309 1.728 -7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.281 1.154 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.434 -0.381 -7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.744 -2.029 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.369 -2.008 -10.225 1.00 0.00 H new ATOM 1136 N GLU A 68 1.354 1.714 -4.164 1.00 0.00 N ATOM 1137 CA GLU A 68 0.657 2.420 -3.083 1.00 0.00 C ATOM 1138 C GLU A 68 1.650 3.317 -2.315 1.00 0.00 C ATOM 1139 O GLU A 68 1.384 4.489 -2.091 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.009 1.394 -2.142 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.037 1.975 -1.177 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.676 0.905 -0.276 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.697 1.081 0.968 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.167 -0.108 -0.816 1.00 0.00 O ATOM 0 H GLU A 68 1.173 0.711 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.120 3.059 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.494 0.629 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.769 0.896 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.558 2.730 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.818 2.479 -1.745 1.00 0.00 H new ATOM 1151 N ALA A 69 2.805 2.774 -1.942 1.00 0.00 N ATOM 1152 CA ALA A 69 3.830 3.548 -1.228 1.00 0.00 C ATOM 1153 C ALA A 69 4.380 4.750 -2.034 1.00 0.00 C ATOM 1154 O ALA A 69 4.574 5.851 -1.493 1.00 0.00 O ATOM 1155 CB ALA A 69 4.981 2.614 -0.838 1.00 0.00 C ATOM 0 H ALA A 69 3.060 1.802 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 69 3.350 3.970 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.746 3.181 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.603 1.821 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.413 2.174 -1.737 1.00 0.00 H new ATOM 1161 N GLN A 70 4.642 4.542 -3.317 1.00 0.00 N ATOM 1162 CA GLN A 70 5.164 5.605 -4.174 1.00 0.00 C ATOM 1163 C GLN A 70 4.137 6.724 -4.239 1.00 0.00 C ATOM 1164 O GLN A 70 4.475 7.908 -4.145 1.00 0.00 O ATOM 1165 CB GLN A 70 5.439 5.076 -5.586 1.00 0.00 C ATOM 1166 CG GLN A 70 6.091 6.103 -6.504 1.00 0.00 C ATOM 1167 CD GLN A 70 6.214 5.608 -7.927 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.776 4.549 -8.184 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.692 6.362 -8.855 1.00 0.00 N ATOM 0 H GLN A 70 4.503 3.649 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 70 6.102 5.975 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.084 4.200 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.500 4.747 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.505 7.022 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.081 6.351 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.232 7.237 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.744 6.077 -9.833 1.00 0.00 H new ATOM 1178 N ARG A 71 2.877 6.344 -4.378 1.00 0.00 N ATOM 1179 CA ARG A 71 1.804 7.321 -4.425 1.00 0.00 C ATOM 1180 C ARG A 71 1.686 8.031 -3.093 1.00 0.00 C ATOM 1181 O ARG A 71 1.370 9.195 -3.060 1.00 0.00 O ATOM 1182 CB ARG A 71 0.481 6.659 -4.785 1.00 0.00 C ATOM 1183 CG ARG A 71 0.472 6.027 -6.157 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.925 5.982 -6.687 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.008 5.267 -7.970 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.776 5.802 -9.165 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -0.420 7.048 -9.335 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -0.909 5.052 -10.223 1.00 0.00 N ATOM 0 H ARG A 71 2.575 5.373 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 71 2.042 8.052 -5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.253 5.895 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.314 7.403 -4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.109 6.597 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.883 5.019 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.573 5.495 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.297 6.999 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.264 4.280 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.308 7.661 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.254 7.407 -10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.186 4.075 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.736 5.442 -11.150 1.00 0.00 H new ATOM 1202 N LEU A 72 1.965 7.349 -1.990 1.00 0.00 N ATOM 1203 CA LEU A 72 1.926 7.987 -0.679 1.00 0.00 C ATOM 1204 C LEU A 72 3.100 8.948 -0.549 1.00 0.00 C ATOM 1205 O LEU A 72 3.001 9.955 0.134 1.00 0.00 O ATOM 1206 CB LEU A 72 1.893 6.943 0.434 1.00 0.00 C ATOM 1207 CG LEU A 72 0.452 6.435 0.603 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.389 4.993 1.018 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.310 7.292 1.604 1.00 0.00 C ATOM 0 H LEU A 72 2.219 6.361 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 72 1.008 8.567 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.558 6.114 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.251 7.377 1.368 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.018 6.514 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.653 4.689 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.873 4.375 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.901 4.866 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.327 6.914 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.191 7.254 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.341 8.323 1.251 1.00 0.00 H new ATOM 1221 N LYS A 73 4.202 8.672 -1.234 1.00 0.00 N ATOM 1222 CA LYS A 73 5.306 9.642 -1.273 1.00 0.00 C ATOM 1223 C LYS A 73 4.916 10.847 -2.152 1.00 0.00 C ATOM 1224 O LYS A 73 5.174 12.003 -1.804 1.00 0.00 O ATOM 1225 CB LYS A 73 6.588 8.991 -1.807 1.00 0.00 C ATOM 1226 CG LYS A 73 7.816 9.920 -1.755 1.00 0.00 C ATOM 1227 CD LYS A 73 8.626 9.922 -3.067 1.00 0.00 C ATOM 1228 CE LYS A 73 7.852 10.519 -4.262 1.00 0.00 C ATOM 1229 NZ LYS A 73 7.438 11.945 -4.045 1.00 0.00 N ATOM 0 H LYS A 73 4.361 7.812 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 73 5.498 9.987 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.798 8.092 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.424 8.676 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.487 10.936 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.464 9.611 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.544 10.490 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.919 8.900 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.474 10.460 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.965 9.914 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.865 12.267 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.877 12.015 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.285 12.543 -3.961 1.00 0.00 H new ATOM 1243 N GLU A 74 4.306 10.595 -3.297 1.00 0.00 N ATOM 1244 CA GLU A 74 3.907 11.698 -4.182 1.00 0.00 C ATOM 1245 C GLU A 74 2.827 12.540 -3.497 1.00 0.00 C ATOM 1246 O GLU A 74 2.823 13.764 -3.598 1.00 0.00 O ATOM 1247 CB GLU A 74 3.467 11.159 -5.547 1.00 0.00 C ATOM 1248 CG GLU A 74 4.667 10.621 -6.340 1.00 0.00 C ATOM 1249 CD GLU A 74 4.316 10.104 -7.727 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.760 10.871 -8.538 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.630 8.924 -8.011 1.00 0.00 O ATOM 0 H GLU A 74 4.076 9.662 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 74 4.759 12.351 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.733 10.365 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.978 11.951 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.409 11.413 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.133 9.816 -5.771 1.00 0.00 H new ATOM 1258 N LEU A 75 1.947 11.879 -2.764 1.00 0.00 N ATOM 1259 CA LEU A 75 0.926 12.546 -1.970 1.00 0.00 C ATOM 1260 C LEU A 75 1.553 13.387 -0.858 1.00 0.00 C ATOM 1261 O LEU A 75 1.209 14.557 -0.698 1.00 0.00 O ATOM 1262 CB LEU A 75 0.010 11.486 -1.352 1.00 0.00 C ATOM 1263 CG LEU A 75 -1.129 11.955 -0.446 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -2.137 12.776 -1.191 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.802 10.734 0.141 1.00 0.00 C ATOM 0 H LEU A 75 1.920 10.861 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 75 0.357 13.212 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.428 10.909 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.633 10.802 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.713 12.587 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.928 13.088 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.651 13.657 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.567 12.181 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.619 11.046 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.196 10.113 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.077 10.161 0.719 1.00 0.00 H new ATOM 1277 N ARG A 76 2.477 12.801 -0.094 1.00 0.00 N ATOM 1278 CA ARG A 76 3.109 13.513 1.029 1.00 0.00 C ATOM 1279 C ARG A 76 3.965 14.679 0.568 1.00 0.00 C ATOM 1280 O ARG A 76 4.294 15.551 1.374 1.00 0.00 O ATOM 1281 CB ARG A 76 3.918 12.567 1.940 1.00 0.00 C ATOM 1282 CG ARG A 76 5.355 12.273 1.486 1.00 0.00 C ATOM 1283 CD ARG A 76 6.385 13.181 2.154 1.00 0.00 C ATOM 1284 NE ARG A 76 7.220 13.877 1.156 1.00 0.00 N ATOM 1285 CZ ARG A 76 8.098 14.837 1.423 1.00 0.00 C ATOM 1286 NH1 ARG A 76 8.320 15.273 2.634 1.00 0.00 N ATOM 1287 NH2 ARG A 76 8.762 15.374 0.446 1.00 0.00 N ATOM 0 H ARG A 76 2.805 11.844 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 76 2.290 13.922 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.954 12.998 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.381 11.622 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.596 11.233 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.421 12.391 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.875 13.915 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.021 12.589 2.813 1.00 0.00 H new ATOM 0 HE ARG A 76 7.114 13.598 0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.809 14.874 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.004 16.013 2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.606 15.058 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.440 16.112 0.635 1.00 0.00 H new ATOM 1301 N GLU A 77 4.321 14.721 -0.711 1.00 0.00 N ATOM 1302 CA GLU A 77 5.031 15.891 -1.231 1.00 0.00 C ATOM 1303 C GLU A 77 4.092 17.094 -1.037 1.00 0.00 C ATOM 1304 O GLU A 77 4.515 18.173 -0.611 1.00 0.00 O ATOM 1305 CB GLU A 77 5.402 15.710 -2.706 1.00 0.00 C ATOM 1306 CG GLU A 77 6.872 15.998 -3.012 1.00 0.00 C ATOM 1307 CD GLU A 77 7.767 14.775 -2.821 1.00 0.00 C ATOM 1308 OE1 GLU A 77 7.659 14.087 -1.780 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.580 14.485 -3.720 1.00 0.00 O ATOM 0 H GLU A 77 4.138 13.984 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 77 5.971 16.040 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.171 14.688 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.779 16.368 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.962 16.352 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.222 16.803 -2.366 1.00 0.00 H new ATOM 1316 N GLY A 78 2.810 16.874 -1.309 1.00 0.00 N ATOM 1317 CA GLY A 78 1.781 17.866 -1.033 1.00 0.00 C ATOM 1318 C GLY A 78 1.719 19.131 -1.869 1.00 0.00 C ATOM 1319 O GLY A 78 2.513 19.376 -2.773 1.00 0.00 O ATOM 0 H GLY A 78 2.459 16.011 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.815 17.368 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.889 18.168 0.009 1.00 0.00 H new ATOM 1323 N THR A 79 0.734 19.949 -1.528 1.00 0.00 N ATOM 1324 CA THR A 79 0.498 21.243 -2.159 1.00 0.00 C ATOM 1325 C THR A 79 -0.382 22.017 -1.183 1.00 0.00 C ATOM 1326 O THR A 79 -0.959 21.422 -0.274 1.00 0.00 O ATOM 1327 CB THR A 79 -0.234 21.102 -3.535 1.00 0.00 C ATOM 1328 OG1 THR A 79 -0.385 22.398 -4.126 1.00 0.00 O ATOM 1329 CG2 THR A 79 -1.627 20.478 -3.388 1.00 0.00 C ATOM 0 H THR A 79 0.063 19.730 -0.792 1.00 0.00 H new ATOM 0 HA THR A 79 1.443 21.746 -2.366 1.00 0.00 H new ATOM 0 HB THR A 79 0.373 20.448 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.270 22.467 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.096 20.400 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.536 19.484 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.240 21.105 -2.741 1.00 0.00 H new ATOM 1337 N GLU A 80 -0.496 23.326 -1.369 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.394 24.149 -0.552 1.00 0.00 C ATOM 1339 C GLU A 80 -2.589 24.583 -1.399 1.00 0.00 C ATOM 1340 O GLU A 80 -3.480 25.288 -0.928 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.682 25.399 -0.026 1.00 0.00 C ATOM 1342 CG GLU A 80 0.465 25.109 0.928 1.00 0.00 C ATOM 1343 CD GLU A 80 0.418 25.993 2.176 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.676 25.484 3.292 1.00 0.00 O ATOM 1345 OE2 GLU A 80 0.109 27.201 2.056 1.00 0.00 O ATOM 0 H GLU A 80 0.021 23.846 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.721 23.552 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.300 25.969 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.410 26.032 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.431 24.061 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.412 25.263 0.411 1.00 0.00 H new ATOM 1352 N ASN A 81 -2.597 24.177 -2.662 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.669 24.555 -3.578 1.00 0.00 C ATOM 1354 C ASN A 81 -3.804 23.515 -4.688 1.00 0.00 C ATOM 1355 O ASN A 81 -2.814 23.125 -5.283 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.354 25.923 -4.187 1.00 0.00 C ATOM 1357 CG ASN A 81 -4.575 26.609 -4.717 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -5.375 26.022 -5.426 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -4.738 27.854 -4.366 1.00 0.00 N ATOM 0 H ASN A 81 -1.875 23.587 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.609 24.606 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.885 26.554 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.631 25.800 -4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.557 28.371 -4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.047 28.311 -3.771 1.00 0.00 H new ATOM 1366 N GLU A 82 -5.023 23.067 -4.950 1.00 0.00 N ATOM 1367 CA GLU A 82 -5.279 22.028 -5.956 1.00 0.00 C ATOM 1368 C GLU A 82 -5.785 22.590 -7.302 1.00 0.00 C ATOM 1369 O GLU A 82 -6.097 21.841 -8.234 1.00 0.00 O ATOM 1370 CB GLU A 82 -6.299 21.040 -5.388 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.766 20.238 -4.189 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.709 18.748 -4.483 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.597 18.165 -4.471 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.780 18.163 -4.754 1.00 0.00 O ATOM 0 H GLU A 82 -5.862 23.406 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.330 21.536 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.192 21.585 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.601 20.348 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.770 20.595 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.404 20.413 -3.323 1.00 0.00 H new ATOM 1381 N ARG A 83 -5.860 23.911 -7.419 1.00 0.00 N ATOM 1382 CA ARG A 83 -6.316 24.541 -8.673 1.00 0.00 C ATOM 1383 C ARG A 83 -5.262 24.355 -9.769 1.00 0.00 C ATOM 1384 O ARG A 83 -4.194 23.820 -9.523 1.00 0.00 O ATOM 1385 CB ARG A 83 -6.593 26.035 -8.454 1.00 0.00 C ATOM 1386 CG ARG A 83 -7.815 26.309 -7.576 1.00 0.00 C ATOM 1387 CD ARG A 83 -8.033 27.807 -7.398 1.00 0.00 C ATOM 1388 NE ARG A 83 -9.180 28.090 -6.517 1.00 0.00 N ATOM 1389 CZ ARG A 83 -9.657 29.301 -6.243 1.00 0.00 C ATOM 1390 NH1 ARG A 83 -9.140 30.391 -6.758 1.00 0.00 N ATOM 1391 NH2 ARG A 83 -10.681 29.416 -5.444 1.00 0.00 N ATOM 0 H ARG A 83 -5.617 24.567 -6.677 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.242 24.059 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.717 26.495 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.737 26.515 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.700 25.860 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.680 25.839 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.133 28.259 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.199 28.269 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.645 27.293 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.344 30.327 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.534 31.302 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.107 28.583 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.056 30.339 -5.226 1.00 0.00 H new ATOM 1405 N SER A 84 -5.582 24.792 -10.983 1.00 0.00 N ATOM 1406 CA SER A 84 -4.660 24.705 -12.130 1.00 0.00 C ATOM 1407 C SER A 84 -4.119 23.285 -12.329 1.00 0.00 C ATOM 1408 O SER A 84 -2.948 23.094 -12.630 1.00 0.00 O ATOM 1409 CB SER A 84 -3.497 25.694 -11.953 1.00 0.00 C ATOM 1410 OG SER A 84 -2.806 25.881 -13.174 1.00 0.00 O ATOM 0 H SER A 84 -6.482 25.216 -11.208 1.00 0.00 H new ATOM 0 HA SER A 84 -5.227 24.967 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.878 26.651 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.809 25.321 -11.194 1.00 0.00 H new ATOM 0 HG SER A 84 -2.445 25.023 -13.480 1.00 0.00 H new ATOM 1416 N ARG A 85 -5.003 22.305 -12.141 1.00 0.00 N ATOM 1417 CA ARG A 85 -4.687 20.866 -12.241 1.00 0.00 C ATOM 1418 C ARG A 85 -3.657 20.387 -11.214 1.00 0.00 C ATOM 1419 O ARG A 85 -3.118 19.298 -11.356 1.00 0.00 O ATOM 1420 CB ARG A 85 -4.201 20.476 -13.653 1.00 0.00 C ATOM 1421 CG ARG A 85 -5.132 20.868 -14.789 1.00 0.00 C ATOM 1422 CD ARG A 85 -4.560 20.362 -16.108 1.00 0.00 C ATOM 1423 NE ARG A 85 -5.377 20.766 -17.268 1.00 0.00 N ATOM 1424 CZ ARG A 85 -5.115 20.449 -18.532 1.00 0.00 C ATOM 1425 NH1 ARG A 85 -4.078 19.721 -18.871 1.00 0.00 N ATOM 1426 NH2 ARG A 85 -5.910 20.876 -19.473 1.00 0.00 N ATOM 0 H ARG A 85 -5.980 22.485 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.632 20.367 -12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.229 20.938 -13.826 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.051 19.397 -13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.123 20.446 -14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.248 21.951 -14.822 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.546 20.743 -16.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.490 19.275 -16.077 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.206 21.332 -17.086 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.440 19.377 -18.153 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.910 19.498 -19.852 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.722 21.446 -19.235 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.720 20.640 -20.447 1.00 0.00 H new ATOM 1440 N GLN A 86 -3.399 21.164 -10.170 1.00 0.00 N ATOM 1441 CA GLN A 86 -2.457 20.735 -9.132 1.00 0.00 C ATOM 1442 C GLN A 86 -3.119 19.678 -8.225 1.00 0.00 C ATOM 1443 O GLN A 86 -2.505 19.171 -7.287 1.00 0.00 O ATOM 1444 CB GLN A 86 -1.965 21.954 -8.335 1.00 0.00 C ATOM 1445 CG GLN A 86 -0.736 21.708 -7.451 1.00 0.00 C ATOM 1446 CD GLN A 86 0.444 21.167 -8.227 1.00 0.00 C ATOM 1447 OE1 GLN A 86 0.927 21.792 -9.157 1.00 0.00 O ATOM 1448 NE2 GLN A 86 0.902 20.000 -7.857 1.00 0.00 N ATOM 0 H GLN A 86 -3.819 22.081 -10.016 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.585 20.271 -9.594 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.733 22.756 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.780 22.308 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -0.450 22.642 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -0.998 21.006 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.471 19.508 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.690 19.581 -8.351 1.00 0.00 H new ATOM 1457 N LYS A 87 -4.369 19.329 -8.535 1.00 0.00 N ATOM 1458 CA LYS A 87 -5.111 18.307 -7.786 1.00 0.00 C ATOM 1459 C LYS A 87 -4.459 16.936 -7.836 1.00 0.00 C ATOM 1460 O LYS A 87 -4.884 16.023 -7.153 1.00 0.00 O ATOM 1461 CB LYS A 87 -6.597 18.234 -8.223 1.00 0.00 C ATOM 1462 CG LYS A 87 -6.967 17.171 -9.308 1.00 0.00 C ATOM 1463 CD LYS A 87 -8.200 16.298 -8.915 1.00 0.00 C ATOM 1464 CE LYS A 87 -7.963 15.424 -7.656 1.00 0.00 C ATOM 1465 NZ LYS A 87 -8.883 14.228 -7.596 1.00 0.00 N ATOM 0 H LYS A 87 -4.894 19.742 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.081 18.627 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.201 18.038 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.889 19.215 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.174 17.679 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.109 16.521 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.056 16.950 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.459 15.651 -9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.928 15.082 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.107 16.033 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.829 13.795 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.860 14.532 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.595 13.532 -8.313 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.415 16.805 -8.644 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.676 15.560 -8.750 1.00 0.00 C ATOM 1481 C TYR A 88 -2.229 15.063 -7.378 1.00 0.00 C ATOM 1482 O TYR A 88 -2.106 13.872 -7.182 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.452 15.739 -9.654 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.639 14.466 -9.804 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.536 14.263 -9.046 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.045 13.449 -10.693 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.289 13.061 -9.173 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.291 12.247 -10.820 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.866 12.066 -10.057 1.00 0.00 C ATOM 1490 OH TYR A 88 1.589 10.906 -10.190 1.00 0.00 O ATOM 0 H TYR A 88 -3.061 17.554 -9.239 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.343 14.817 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.779 16.074 -10.638 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.816 16.524 -9.245 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.867 15.030 -8.361 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.938 13.583 -11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.185 12.919 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.613 11.477 -11.505 1.00 0.00 H new ATOM 0 HH TYR A 88 2.293 10.879 -9.508 1.00 0.00 H new ATOM 1500 N ALA A 89 -1.993 15.952 -6.417 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.559 15.465 -5.117 1.00 0.00 C ATOM 1502 C ALA A 89 -2.671 14.633 -4.455 1.00 0.00 C ATOM 1503 O ALA A 89 -2.461 13.469 -4.153 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.162 16.645 -4.218 1.00 0.00 C ATOM 0 H ALA A 89 -2.089 16.964 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.689 14.823 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.839 16.270 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.346 17.199 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.019 17.305 -4.085 1.00 0.00 H new ATOM 1510 N GLU A 90 -3.863 15.188 -4.267 1.00 0.00 N ATOM 1511 CA GLU A 90 -4.927 14.417 -3.613 1.00 0.00 C ATOM 1512 C GLU A 90 -5.464 13.330 -4.549 1.00 0.00 C ATOM 1513 O GLU A 90 -6.086 12.357 -4.112 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.041 15.333 -3.107 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.525 14.978 -1.694 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.481 15.282 -0.606 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.119 16.464 -0.401 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -5.024 14.328 0.062 1.00 0.00 O ATOM 0 H GLU A 90 -4.118 16.136 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.501 13.919 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.686 16.363 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.884 15.282 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.438 15.533 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.780 13.919 -1.659 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.188 13.469 -5.839 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.507 12.412 -6.792 1.00 0.00 C ATOM 1527 C GLU A 91 -4.706 11.188 -6.380 1.00 0.00 C ATOM 1528 O GLU A 91 -5.197 10.077 -6.479 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.143 12.810 -8.231 1.00 0.00 C ATOM 1530 CG GLU A 91 -5.534 11.790 -9.300 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.038 11.648 -9.458 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -7.722 12.685 -9.661 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.542 10.507 -9.391 1.00 0.00 O ATOM 0 H GLU A 91 -4.749 14.294 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.579 12.217 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.625 13.760 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.067 12.977 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.100 12.087 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.107 10.820 -9.043 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.481 11.371 -5.895 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.688 10.210 -5.505 1.00 0.00 C ATOM 1542 C GLU A 92 -3.333 9.499 -4.324 1.00 0.00 C ATOM 1543 O GLU A 92 -3.209 8.296 -4.207 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.231 10.575 -5.207 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.438 10.943 -6.459 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.354 9.788 -7.446 1.00 0.00 C ATOM 1547 OE1 GLU A 92 0.586 8.979 -7.330 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.230 9.666 -8.332 1.00 0.00 O ATOM 0 H GLU A 92 -3.029 12.276 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.669 9.526 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.208 11.413 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.746 9.734 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.905 11.800 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.569 11.248 -6.173 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.051 10.217 -3.470 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.768 9.575 -2.359 1.00 0.00 C ATOM 1557 C LEU A 93 -5.906 8.727 -2.929 1.00 0.00 C ATOM 1558 O LEU A 93 -6.178 7.618 -2.456 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.339 10.616 -1.387 1.00 0.00 C ATOM 1560 CG LEU A 93 -6.127 10.069 -0.182 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -5.290 9.140 0.709 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.645 11.242 0.645 1.00 0.00 C ATOM 0 H LEU A 93 -4.156 11.230 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.067 8.949 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.514 11.220 -1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.993 11.284 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.951 9.473 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.900 8.787 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.946 8.287 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.429 9.685 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.205 10.865 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.804 11.839 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.297 11.861 0.029 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.571 9.230 -3.956 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.642 8.459 -4.588 1.00 0.00 C ATOM 1576 C GLU A 94 -7.052 7.220 -5.270 1.00 0.00 C ATOM 1577 O GLU A 94 -7.618 6.128 -5.215 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.418 9.312 -5.596 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.094 10.521 -4.953 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.299 11.009 -5.741 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.259 10.214 -5.901 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.304 12.180 -6.187 1.00 0.00 O ATOM 0 H GLU A 94 -6.398 10.148 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.344 8.142 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.737 9.654 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.174 8.695 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.407 10.261 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.371 11.332 -4.864 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.900 7.376 -5.898 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.245 6.252 -6.554 1.00 0.00 C ATOM 1591 C GLN A 95 -4.647 5.272 -5.524 1.00 0.00 C ATOM 1592 O GLN A 95 -4.499 4.091 -5.811 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.175 6.756 -7.523 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.706 7.627 -8.674 1.00 0.00 C ATOM 1595 CD GLN A 95 -5.776 6.941 -9.493 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -5.626 5.795 -9.899 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -6.856 7.637 -9.748 1.00 0.00 N ATOM 0 H GLN A 95 -5.400 8.262 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.996 5.704 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.438 7.330 -6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.655 5.897 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.109 8.553 -8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.877 7.901 -9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.945 8.589 -9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.608 7.227 -10.302 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.334 5.743 -4.322 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.895 4.866 -3.218 1.00 0.00 C ATOM 1608 C VAL A 96 -5.087 4.018 -2.807 1.00 0.00 C ATOM 1609 O VAL A 96 -4.965 2.802 -2.577 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.394 5.709 -1.991 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.483 4.932 -0.661 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -1.975 6.162 -2.221 1.00 0.00 C ATOM 0 H VAL A 96 -4.373 6.732 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.064 4.243 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.054 6.573 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.124 5.562 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.519 4.651 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.869 4.034 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.636 6.746 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.331 5.292 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.931 6.777 -3.120 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.253 4.649 -2.739 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.480 3.930 -2.417 1.00 0.00 C ATOM 1624 C ARG A 97 -7.671 2.839 -3.456 1.00 0.00 C ATOM 1625 O ARG A 97 -8.028 1.726 -3.109 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.680 4.884 -2.398 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.000 4.243 -1.987 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.100 4.591 -2.991 1.00 0.00 C ATOM 1629 NE ARG A 97 -11.341 6.045 -3.061 1.00 0.00 N ATOM 1630 CZ ARG A 97 -11.279 6.792 -4.161 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -11.007 6.305 -5.346 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -11.506 8.069 -4.055 1.00 0.00 N ATOM 0 H ARG A 97 -6.375 5.649 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.405 3.488 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.463 5.705 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.797 5.318 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.883 3.161 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.284 4.588 -0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.821 4.221 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.022 4.083 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.576 6.520 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.830 5.307 -5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.972 6.924 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.725 8.474 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.465 8.665 -4.882 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.417 3.136 -4.723 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.541 2.110 -5.769 1.00 0.00 C ATOM 1648 C GLU A 98 -6.432 1.035 -5.688 1.00 0.00 C ATOM 1649 O GLU A 98 -6.683 -0.131 -5.986 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.568 2.747 -7.161 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.776 3.667 -7.391 1.00 0.00 C ATOM 1652 CD GLU A 98 -10.110 2.980 -7.102 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.399 1.928 -7.710 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.877 3.488 -6.251 1.00 0.00 O ATOM 0 H GLU A 98 -7.129 4.057 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.490 1.603 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.652 3.320 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.574 1.958 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.682 4.548 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.769 4.016 -8.424 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.227 1.404 -5.269 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.136 0.433 -5.076 1.00 0.00 C ATOM 1663 C ALA A 99 -4.560 -0.560 -3.981 1.00 0.00 C ATOM 1664 O ALA A 99 -4.479 -1.793 -4.153 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.843 1.158 -4.684 1.00 0.00 C ATOM 0 H ALA A 99 -4.972 2.368 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.944 -0.106 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.045 0.429 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.563 1.855 -5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.000 1.706 -3.755 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.029 -0.019 -2.866 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.482 -0.850 -1.752 1.00 0.00 C ATOM 1673 C LEU A 100 -6.697 -1.686 -2.169 1.00 0.00 C ATOM 1674 O LEU A 100 -6.839 -2.847 -1.786 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.822 0.039 -0.551 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.098 -0.684 0.777 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -4.881 -1.494 1.249 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -6.470 0.351 1.840 1.00 0.00 C ATOM 0 H LEU A 100 -5.107 0.985 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.683 -1.534 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.997 0.735 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.699 0.635 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.920 -1.383 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.117 -1.990 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.629 -2.243 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.033 -0.825 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.668 -0.154 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.646 1.053 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.362 0.892 1.524 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.567 -1.094 -2.977 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.750 -1.788 -3.497 1.00 0.00 C ATOM 1692 C ARG A 101 -8.334 -2.973 -4.356 1.00 0.00 C ATOM 1693 O ARG A 101 -8.967 -4.026 -4.303 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.583 -0.808 -4.324 1.00 0.00 C ATOM 1695 CG ARG A 101 -10.959 -1.271 -4.722 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.550 -0.199 -5.618 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.990 -0.363 -5.859 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.723 0.452 -6.612 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.215 1.485 -7.235 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.001 0.219 -6.739 1.00 0.00 N ATOM 0 H ARG A 101 -7.479 -0.128 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.345 -2.160 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.684 0.118 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.028 -0.568 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.907 -2.225 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.583 -1.424 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.374 0.778 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.027 -0.207 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.459 -1.155 -5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.219 1.691 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.815 2.084 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.424 -0.579 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.577 0.835 -7.313 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.270 -2.820 -5.137 1.00 0.00 N ATOM 1715 CA LYS A 102 -6.760 -3.928 -5.949 1.00 0.00 C ATOM 1716 C LYS A 102 -6.281 -5.006 -5.004 1.00 0.00 C ATOM 1717 O LYS A 102 -6.606 -6.163 -5.199 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.619 -3.478 -6.883 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.138 -4.545 -7.919 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.101 -5.544 -7.345 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.385 -6.341 -8.463 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.238 -7.193 -7.937 1.00 0.00 N ATOM 0 H LYS A 102 -6.746 -1.950 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.555 -4.304 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.946 -2.591 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.767 -3.181 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.002 -5.101 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.702 -4.035 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.362 -5.001 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.601 -6.237 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.108 -6.983 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.002 -5.646 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.128 -8.036 -8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.358 -6.639 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.443 -7.487 -6.961 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.523 -4.634 -3.982 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.011 -5.625 -3.032 1.00 0.00 C ATOM 1738 C ALA A 103 -6.164 -6.387 -2.352 1.00 0.00 C ATOM 1739 O ALA A 103 -6.149 -7.621 -2.262 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.126 -4.934 -1.982 1.00 0.00 C ATOM 0 H ALA A 103 -5.250 -3.671 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.410 -6.351 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.749 -5.676 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.288 -4.445 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.713 -4.190 -1.444 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.165 -5.654 -1.889 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.320 -6.265 -1.230 1.00 0.00 C ATOM 1748 C GLU A 104 -9.063 -7.210 -2.176 1.00 0.00 C ATOM 1749 O GLU A 104 -9.412 -8.327 -1.803 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.269 -5.171 -0.726 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.425 -5.690 0.134 1.00 0.00 C ATOM 1752 CD GLU A 104 -9.950 -6.291 1.451 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.510 -7.319 1.880 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -9.006 -5.746 2.061 1.00 0.00 O ATOM 0 H GLU A 104 -7.205 -4.637 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.960 -6.851 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.696 -4.447 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.680 -4.638 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.116 -4.872 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.980 -6.443 -0.426 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.297 -6.778 -3.408 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.001 -7.615 -4.383 1.00 0.00 C ATOM 1763 C LYS A 105 -9.151 -8.823 -4.755 1.00 0.00 C ATOM 1764 O LYS A 105 -9.664 -9.902 -5.040 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.350 -6.796 -5.634 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.291 -7.506 -6.623 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.671 -7.762 -6.012 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.587 -8.490 -6.982 1.00 0.00 C ATOM 1769 NZ LYS A 105 -14.925 -8.738 -6.349 1.00 0.00 N ATOM 0 H LYS A 105 -9.015 -5.863 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.928 -7.971 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.812 -5.860 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.427 -6.538 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.399 -6.899 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.848 -8.454 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.563 -8.351 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.124 -6.813 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.710 -7.899 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.136 -9.437 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.953 -9.703 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.078 -8.053 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.673 -8.630 -7.064 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.844 -8.651 -4.744 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.948 -9.754 -5.025 1.00 0.00 C ATOM 1785 C GLU A 106 -7.038 -10.759 -3.878 1.00 0.00 C ATOM 1786 O GLU A 106 -7.081 -11.960 -4.106 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.515 -9.259 -5.185 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.618 -10.259 -5.846 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.167 -9.983 -5.559 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.498 -10.892 -5.025 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -2.684 -8.879 -5.864 1.00 0.00 O ATOM 0 H GLU A 106 -7.381 -7.764 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.240 -10.231 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.518 -8.340 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.111 -9.011 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.873 -11.261 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.785 -10.242 -6.923 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.088 -10.282 -2.642 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.219 -11.192 -1.497 1.00 0.00 C ATOM 1800 C LEU A 107 -8.574 -11.911 -1.522 1.00 0.00 C ATOM 1801 O LEU A 107 -8.671 -13.093 -1.157 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.018 -10.428 -0.187 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.543 -10.071 0.066 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.434 -9.007 1.139 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.738 -11.318 0.481 1.00 0.00 C ATOM 0 H LEU A 107 -7.041 -9.292 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.443 -11.954 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.611 -9.514 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.390 -11.030 0.642 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.126 -9.684 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.384 -8.765 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.966 -8.111 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.873 -9.378 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.699 -11.039 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.159 -11.735 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.786 -12.063 -0.313 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.608 -11.222 -1.988 1.00 0.00 N ATOM 1818 CA GLU A 108 -10.918 -11.848 -2.171 1.00 0.00 C ATOM 1819 C GLU A 108 -10.745 -13.031 -3.125 1.00 0.00 C ATOM 1820 O GLU A 108 -11.217 -14.132 -2.850 1.00 0.00 O ATOM 1821 CB GLU A 108 -11.931 -10.848 -2.745 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.346 -11.398 -2.882 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.189 -10.557 -3.827 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.634 -11.090 -4.866 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.404 -9.354 -3.559 1.00 0.00 O ATOM 0 H GLU A 108 -9.569 -10.236 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.302 -12.185 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.957 -9.966 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.585 -10.520 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.303 -12.424 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.821 -11.429 -1.901 1.00 0.00 H new ATOM 1832 N SER A 109 -10.047 -12.821 -4.239 1.00 0.00 N ATOM 1833 CA SER A 109 -9.812 -13.906 -5.200 1.00 0.00 C ATOM 1834 C SER A 109 -8.988 -15.031 -4.565 1.00 0.00 C ATOM 1835 O SER A 109 -9.179 -16.204 -4.880 1.00 0.00 O ATOM 1836 CB SER A 109 -9.140 -13.389 -6.479 1.00 0.00 C ATOM 1837 OG SER A 109 -7.766 -13.089 -6.297 1.00 0.00 O ATOM 0 H SER A 109 -9.638 -11.924 -4.500 1.00 0.00 H new ATOM 0 HA SER A 109 -10.784 -14.313 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.242 -14.137 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.660 -12.494 -6.821 1.00 0.00 H new ATOM 0 HG SER A 109 -7.591 -12.919 -5.348 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.096 -14.677 -3.644 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.288 -15.666 -2.922 1.00 0.00 C ATOM 1845 C HIS A 110 -8.088 -16.343 -1.814 1.00 0.00 C ATOM 1846 O HIS A 110 -7.549 -17.166 -1.091 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.060 -15.021 -2.269 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.045 -14.513 -3.244 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -4.420 -15.317 -4.200 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.499 -13.283 -3.422 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -3.569 -14.579 -4.891 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -3.607 -13.352 -4.444 1.00 0.00 N ATOM 0 H HIS A 110 -7.911 -13.710 -3.377 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.979 -16.400 -3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.389 -14.194 -1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.585 -15.751 -1.614 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -4.592 -16.312 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.734 -12.399 -2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.943 -14.933 -5.696 1.00 0.00 H new ATOM 1860 N SER A 111 -9.357 -15.999 -1.674 1.00 0.00 N ATOM 1861 CA SER A 111 -10.238 -16.655 -0.702 1.00 0.00 C ATOM 1862 C SER A 111 -11.569 -17.093 -1.340 1.00 0.00 C ATOM 1863 O SER A 111 -12.449 -17.601 -0.655 1.00 0.00 O ATOM 1864 CB SER A 111 -10.522 -15.675 0.431 1.00 0.00 C ATOM 1865 OG SER A 111 -10.959 -14.436 -0.104 1.00 0.00 O ATOM 0 H SER A 111 -9.809 -15.266 -2.221 1.00 0.00 H new ATOM 0 HA SER A 111 -9.738 -17.550 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.283 -16.084 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.623 -15.526 1.030 1.00 0.00 H new ATOM 0 HG SER A 111 -10.188 -13.936 -0.444 1.00 0.00 H new ATOM 1871 N SER A 112 -11.721 -16.882 -2.644 1.00 0.00 N ATOM 1872 CA SER A 112 -12.992 -17.166 -3.333 1.00 0.00 C ATOM 1873 C SER A 112 -13.394 -18.638 -3.452 1.00 0.00 C ATOM 1874 O SER A 112 -14.579 -18.937 -3.577 1.00 0.00 O ATOM 1875 CB SER A 112 -12.957 -16.580 -4.744 1.00 0.00 C ATOM 1876 OG SER A 112 -12.883 -15.167 -4.707 1.00 0.00 O ATOM 0 H SER A 112 -10.987 -16.517 -3.250 1.00 0.00 H new ATOM 0 HA SER A 112 -13.741 -16.702 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.099 -16.978 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.849 -16.886 -5.291 1.00 0.00 H new ATOM 0 HG SER A 112 -12.178 -14.893 -4.084 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.439 -19.558 -3.428 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.769 -20.983 -3.526 1.00 0.00 C ATOM 1884 C TRP A 113 -11.798 -21.808 -2.706 1.00 0.00 C ATOM 1885 O TRP A 113 -10.594 -21.554 -2.719 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.756 -21.454 -4.979 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.439 -22.779 -5.131 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -12.870 -24.011 -5.109 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -14.851 -23.016 -5.302 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.798 -24.999 -5.251 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -15.034 -24.429 -5.376 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -15.982 -22.179 -5.391 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -16.305 -25.020 -5.534 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -17.265 -22.770 -5.550 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -17.408 -24.188 -5.621 1.00 0.00 C ATOM 0 H TRP A 113 -11.443 -19.353 -3.343 1.00 0.00 H new ATOM 0 HA TRP A 113 -13.776 -21.120 -3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -13.251 -20.714 -5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.727 -21.532 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.811 -24.187 -4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.602 -26.000 -5.262 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -15.875 -21.106 -5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -16.415 -26.093 -5.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -18.140 -22.140 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -18.391 -24.618 -5.744 1.00 0.00 H new ATOM 1906 N TYR A 114 -12.327 -22.784 -1.989 1.00 0.00 N ATOM 1907 CA TYR A 114 -11.554 -23.584 -1.052 1.00 0.00 C ATOM 1908 C TYR A 114 -12.178 -24.962 -0.918 1.00 0.00 C ATOM 1909 O TYR A 114 -13.284 -25.192 -1.408 1.00 0.00 O ATOM 1910 CB TYR A 114 -11.565 -22.890 0.307 1.00 0.00 C ATOM 1911 CG TYR A 114 -12.906 -22.289 0.670 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -13.132 -20.902 0.532 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -13.961 -23.096 1.147 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -14.391 -20.333 0.853 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -15.220 -22.528 1.475 1.00 0.00 C ATOM 1916 CZ TYR A 114 -15.420 -21.152 1.325 1.00 0.00 C ATOM 1917 OH TYR A 114 -16.636 -20.601 1.640 1.00 0.00 O ATOM 0 H TYR A 114 -13.311 -23.046 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.531 -23.689 -1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -11.279 -23.609 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -10.811 -22.103 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -12.335 -20.265 0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -13.809 -24.159 1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -14.553 -19.272 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -16.020 -23.156 1.839 1.00 0.00 H new ATOM 0 HH TYR A 114 -17.243 -21.304 1.952 1.00 0.00 H new ATOM 1927 N ALA A 115 -11.465 -25.862 -0.254 1.00 0.00 N ATOM 1928 CA ALA A 115 -11.955 -27.214 0.003 1.00 0.00 C ATOM 1929 C ALA A 115 -12.895 -27.209 1.218 1.00 0.00 C ATOM 1930 O ALA A 115 -12.752 -26.299 2.069 1.00 0.00 O ATOM 1931 CB ALA A 115 -10.765 -28.161 0.248 1.00 0.00 C ATOM 1932 OXT ALA A 115 -13.744 -28.112 1.309 1.00 0.00 O ATOM 0 H ALA A 115 -10.534 -25.679 0.121 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.512 -27.566 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -11.135 -29.168 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.121 -28.172 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.195 -27.814 1.110 1.00 0.00 H new TER 1938 ALA A 115