USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=32 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+ -154:sc= 2.11 (180deg=0.483) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.892 K(o=3,f=-12!) USER MOD Set 2.1: A 86 GLN : amide:sc= 0.63 K(o=0.73,f=-6.2!) USER MOD Set 2.2: A 88 TYR OH : rot 163:sc= 0.0959 USER MOD Set 3.1: A 51 LYS NZ :NH3+ 166:sc= 1.12 (180deg=0.951) USER MOD Set 3.2: A 109 SER OG : rot -4:sc= 1.11 USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.08 K(o=-0.11,f=-8.3!) USER MOD Set 4.2: A 34 GLN : amide:sc= -1.19! K(o=-0.11!,f=-1.6) USER MOD Set 5.1: A 12 HIS : no HE2:sc= 0.124 K(o=0.26,f=-0.45) USER MOD Set 5.2: A 79 THR OG1 : rot 180:sc= 0.137 USER MOD Set 6.1: A 1 GLY N :NH3+ -122:sc= 0.905 (180deg=0) USER MOD Set 6.2: A 6 ASN : amide:sc= 0.623 K(o=2.5,f=-4.7!) USER MOD Set 6.3: A 9 SER OG : rot -66:sc= 0.939 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 139:sc= 1.73 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0.16 (180deg=0.118) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0.686 (180deg=0.268) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.728 (180deg=0.652) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -165:sc=-0.00283 (180deg=-0.159) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 1.03 (180deg=0.376) USER MOD Single : A 24 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.2!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 29 SER OG : rot -41:sc= 1.15 USER MOD Single : A 38 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0.996 (180deg=0.852) USER MOD Single : A 41 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.55) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 THR OG1 : rot 152:sc= 0.422 USER MOD Single : A 53 HIS : no HE2:sc=-0.00394 K(o=-0.0039,f=-2.9!) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.17) USER MOD Single : A 63 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= 0.529 K(o=0.53,f=-0.0067) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.871) USER MOD Single : A 81 ASN : amide:sc=-0.00839 K(o=-0.0084,f=-3.4) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= 0.761 (180deg=0.578) USER MOD Single : A 95 GLN : amide:sc= 0.0613 K(o=0.061,f=-0.95) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0.304 (180deg=0.261) USER MOD Single : A 105 LYS NZ :NH3+ -166:sc= -0.0574 (180deg=-0.356) USER MOD Single : A 111 SER OG : rot -78:sc= 0.692 USER MOD Single : A 112 SER OG : rot 55:sc= 1.23 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.694 31.470 8.454 1.00 0.00 N ATOM 2 CA GLY A 1 2.358 32.797 8.530 1.00 0.00 C ATOM 3 C GLY A 1 2.248 33.541 7.229 1.00 0.00 C ATOM 4 O GLY A 1 1.622 33.035 6.314 1.00 0.00 O ATOM 0 H1 GLY A 1 0.958 31.408 9.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.261 31.352 7.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.398 30.720 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.906 33.387 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.409 32.665 8.788 1.00 0.00 H new ATOM 10 N SER A 2 2.834 34.730 7.142 1.00 0.00 N ATOM 11 CA SER A 2 2.738 35.551 5.926 1.00 0.00 C ATOM 12 C SER A 2 3.449 34.982 4.676 1.00 0.00 C ATOM 13 O SER A 2 2.829 34.898 3.614 1.00 0.00 O ATOM 14 CB SER A 2 3.257 36.968 6.211 1.00 0.00 C ATOM 15 OG SER A 2 3.098 37.796 5.077 1.00 0.00 O ATOM 0 H SER A 2 3.380 35.152 7.893 1.00 0.00 H new ATOM 0 HA SER A 2 1.677 35.555 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.718 37.395 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.309 36.926 6.492 1.00 0.00 H new ATOM 0 HG SER A 2 3.433 38.695 5.279 1.00 0.00 H new ATOM 21 N PRO A 3 4.744 34.588 4.771 1.00 0.00 N ATOM 22 CA PRO A 3 5.300 34.107 3.496 1.00 0.00 C ATOM 23 C PRO A 3 4.697 32.773 3.072 1.00 0.00 C ATOM 24 O PRO A 3 4.335 31.958 3.919 1.00 0.00 O ATOM 25 CB PRO A 3 6.795 33.969 3.801 1.00 0.00 C ATOM 26 CG PRO A 3 6.842 33.669 5.250 1.00 0.00 C ATOM 27 CD PRO A 3 5.758 34.533 5.846 1.00 0.00 C ATOM 0 HA PRO A 3 5.087 34.780 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.250 33.171 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.336 34.886 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.659 32.612 5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.818 33.906 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.353 34.099 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.129 35.526 6.102 1.00 0.00 H new ATOM 35 N GLU A 4 4.597 32.545 1.768 1.00 0.00 N ATOM 36 CA GLU A 4 3.965 31.331 1.239 1.00 0.00 C ATOM 37 C GLU A 4 4.591 30.049 1.771 1.00 0.00 C ATOM 38 O GLU A 4 3.891 29.079 2.029 1.00 0.00 O ATOM 39 CB GLU A 4 4.018 31.317 -0.290 1.00 0.00 C ATOM 40 CG GLU A 4 3.038 32.283 -0.932 1.00 0.00 C ATOM 41 CD GLU A 4 2.938 32.101 -2.445 1.00 0.00 C ATOM 42 OE1 GLU A 4 2.521 31.008 -2.905 1.00 0.00 O ATOM 43 OE2 GLU A 4 3.261 33.048 -3.173 1.00 0.00 O ATOM 0 H GLU A 4 4.945 33.183 1.052 1.00 0.00 H new ATOM 0 HA GLU A 4 2.930 31.359 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.028 31.566 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.809 30.308 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.053 32.144 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.345 33.306 -0.713 1.00 0.00 H new ATOM 50 N PHE A 5 5.902 30.053 1.956 1.00 0.00 N ATOM 51 CA PHE A 5 6.609 28.875 2.458 1.00 0.00 C ATOM 52 C PHE A 5 6.067 28.414 3.810 1.00 0.00 C ATOM 53 O PHE A 5 6.016 27.227 4.095 1.00 0.00 O ATOM 54 CB PHE A 5 8.099 29.191 2.588 1.00 0.00 C ATOM 55 CG PHE A 5 8.693 29.788 1.344 1.00 0.00 C ATOM 56 CD1 PHE A 5 8.900 28.997 0.199 1.00 0.00 C ATOM 57 CD2 PHE A 5 9.045 31.154 1.305 1.00 0.00 C ATOM 58 CE1 PHE A 5 9.448 29.560 -0.981 1.00 0.00 C ATOM 59 CE2 PHE A 5 9.593 31.727 0.131 1.00 0.00 C ATOM 60 CZ PHE A 5 9.794 30.926 -1.013 1.00 0.00 C ATOM 0 H PHE A 5 6.502 30.856 1.767 1.00 0.00 H new ATOM 0 HA PHE A 5 6.453 28.066 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.245 29.881 3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.637 28.276 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.639 27.949 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.895 31.769 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.600 28.943 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.856 32.774 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.212 31.358 -1.910 1.00 0.00 H new ATOM 70 N ASN A 6 5.647 29.361 4.637 1.00 0.00 N ATOM 71 CA ASN A 6 5.095 29.036 5.950 1.00 0.00 C ATOM 72 C ASN A 6 3.570 28.972 5.887 1.00 0.00 C ATOM 73 O ASN A 6 2.940 28.244 6.638 1.00 0.00 O ATOM 74 CB ASN A 6 5.542 30.074 6.976 1.00 0.00 C ATOM 75 CG ASN A 6 5.138 29.704 8.379 1.00 0.00 C ATOM 76 OD1 ASN A 6 4.248 30.313 8.950 1.00 0.00 O ATOM 77 ND2 ASN A 6 5.786 28.724 8.942 1.00 0.00 N ATOM 0 H ASN A 6 5.677 30.358 4.425 1.00 0.00 H new ATOM 0 HA ASN A 6 5.467 28.058 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.625 30.184 6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.112 31.042 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.555 28.441 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.524 28.240 8.430 1.00 0.00 H new ATOM 84 N ARG A 7 2.974 29.729 4.975 1.00 0.00 N ATOM 85 CA ARG A 7 1.523 29.706 4.789 1.00 0.00 C ATOM 86 C ARG A 7 1.086 28.300 4.420 1.00 0.00 C ATOM 87 O ARG A 7 0.081 27.815 4.919 1.00 0.00 O ATOM 88 CB ARG A 7 1.108 30.690 3.688 1.00 0.00 C ATOM 89 CG ARG A 7 -0.396 30.920 3.608 1.00 0.00 C ATOM 90 CD ARG A 7 -0.740 32.045 2.636 1.00 0.00 C ATOM 91 NE ARG A 7 -0.571 31.660 1.221 1.00 0.00 N ATOM 92 CZ ARG A 7 -0.729 32.481 0.185 1.00 0.00 C ATOM 93 NH1 ARG A 7 -1.034 33.747 0.337 1.00 0.00 N ATOM 94 NH2 ARG A 7 -0.577 32.027 -1.025 1.00 0.00 N ATOM 0 H ARG A 7 3.469 30.367 4.352 1.00 0.00 H new ATOM 0 HA ARG A 7 1.040 30.006 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.604 31.645 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.461 30.316 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.889 30.001 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.781 31.163 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.771 32.357 2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.108 32.907 2.850 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.314 30.693 1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.158 34.133 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.147 34.346 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.338 31.047 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.697 32.651 -1.823 1.00 0.00 H new ATOM 108 N TYR A 8 1.857 27.656 3.556 1.00 0.00 N ATOM 109 CA TYR A 8 1.546 26.305 3.111 1.00 0.00 C ATOM 110 C TYR A 8 2.099 25.218 4.019 1.00 0.00 C ATOM 111 O TYR A 8 1.703 24.064 3.905 1.00 0.00 O ATOM 112 CB TYR A 8 2.135 26.060 1.720 1.00 0.00 C ATOM 113 CG TYR A 8 1.638 26.999 0.641 1.00 0.00 C ATOM 114 CD1 TYR A 8 0.283 27.403 0.577 1.00 0.00 C ATOM 115 CD2 TYR A 8 2.524 27.482 -0.338 1.00 0.00 C ATOM 116 CE1 TYR A 8 -0.168 28.268 -0.450 1.00 0.00 C ATOM 117 CE2 TYR A 8 2.076 28.346 -1.356 1.00 0.00 C ATOM 118 CZ TYR A 8 0.738 28.734 -1.403 1.00 0.00 C ATOM 119 OH TYR A 8 0.324 29.588 -2.387 1.00 0.00 O ATOM 0 H TYR A 8 2.705 28.049 3.148 1.00 0.00 H new ATOM 0 HA TYR A 8 0.458 26.245 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.220 26.143 1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.910 25.036 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.415 27.047 1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.562 27.186 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.206 28.565 -0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.769 28.708 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 8 0.999 30.286 -2.520 1.00 0.00 H new ATOM 129 N SER A 9 3.029 25.558 4.907 1.00 0.00 N ATOM 130 CA SER A 9 3.705 24.527 5.702 1.00 0.00 C ATOM 131 C SER A 9 2.751 23.717 6.565 1.00 0.00 C ATOM 132 O SER A 9 3.026 22.565 6.864 1.00 0.00 O ATOM 133 CB SER A 9 4.809 25.124 6.579 1.00 0.00 C ATOM 134 OG SER A 9 4.278 25.933 7.612 1.00 0.00 O ATOM 0 H SER A 9 3.329 26.514 5.095 1.00 0.00 H new ATOM 0 HA SER A 9 4.151 23.848 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.402 24.320 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.483 25.718 5.962 1.00 0.00 H new ATOM 0 HG SER A 9 3.845 26.720 7.221 1.00 0.00 H new ATOM 140 N LYS A 10 1.626 24.306 6.958 1.00 0.00 N ATOM 141 CA LYS A 10 0.658 23.591 7.792 1.00 0.00 C ATOM 142 C LYS A 10 0.101 22.352 7.089 1.00 0.00 C ATOM 143 O LYS A 10 0.193 21.248 7.621 1.00 0.00 O ATOM 144 CB LYS A 10 -0.492 24.516 8.238 1.00 0.00 C ATOM 145 CG LYS A 10 -1.028 25.461 7.156 1.00 0.00 C ATOM 146 CD LYS A 10 -2.304 26.153 7.612 1.00 0.00 C ATOM 147 CE LYS A 10 -2.876 27.053 6.513 1.00 0.00 C ATOM 148 NZ LYS A 10 -3.348 26.263 5.332 1.00 0.00 N ATOM 0 H LYS A 10 1.362 25.262 6.719 1.00 0.00 H new ATOM 0 HA LYS A 10 1.196 23.257 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.315 23.898 8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.149 25.114 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.272 26.208 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.223 24.899 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.045 25.405 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.099 26.748 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.705 27.634 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.114 27.764 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.696 26.911 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.559 25.701 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.117 25.627 5.625 1.00 0.00 H new ATOM 162 N GLU A 11 -0.462 22.510 5.901 1.00 0.00 N ATOM 163 CA GLU A 11 -1.056 21.373 5.213 1.00 0.00 C ATOM 164 C GLU A 11 0.014 20.566 4.508 1.00 0.00 C ATOM 165 O GLU A 11 -0.139 19.377 4.338 1.00 0.00 O ATOM 166 CB GLU A 11 -2.128 21.817 4.223 1.00 0.00 C ATOM 167 CG GLU A 11 -3.260 22.625 4.868 1.00 0.00 C ATOM 168 CD GLU A 11 -3.907 21.901 6.030 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.405 20.777 5.842 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.911 22.453 7.157 1.00 0.00 O ATOM 0 H GLU A 11 -0.520 23.397 5.400 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.537 20.744 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.663 22.418 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.551 20.937 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.867 23.581 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.017 22.846 4.116 1.00 0.00 H new ATOM 177 N HIS A 12 1.110 21.201 4.120 1.00 0.00 N ATOM 178 CA HIS A 12 2.219 20.474 3.502 1.00 0.00 C ATOM 179 C HIS A 12 2.774 19.461 4.502 1.00 0.00 C ATOM 180 O HIS A 12 2.890 18.288 4.184 1.00 0.00 O ATOM 181 CB HIS A 12 3.312 21.451 3.064 1.00 0.00 C ATOM 182 CG HIS A 12 4.546 20.792 2.526 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.560 19.742 1.639 1.00 0.00 N ATOM 184 CD2 HIS A 12 5.858 21.063 2.765 1.00 0.00 C ATOM 185 CE1 HIS A 12 5.826 19.432 1.381 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.662 20.213 2.036 1.00 0.00 N ATOM 0 H HIS A 12 1.259 22.205 4.218 1.00 0.00 H new ATOM 0 HA HIS A 12 1.862 19.946 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.906 22.114 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.588 22.075 3.914 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.740 19.280 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.218 21.834 3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.132 18.638 0.716 1.00 0.00 H new ATOM 194 N MET A 13 3.091 19.897 5.714 1.00 0.00 N ATOM 195 CA MET A 13 3.619 18.978 6.725 1.00 0.00 C ATOM 196 C MET A 13 2.558 17.950 7.100 1.00 0.00 C ATOM 197 O MET A 13 2.862 16.774 7.290 1.00 0.00 O ATOM 198 CB MET A 13 4.072 19.740 7.975 1.00 0.00 C ATOM 199 CG MET A 13 4.705 18.847 9.037 1.00 0.00 C ATOM 200 SD MET A 13 6.194 18.035 8.427 1.00 0.00 S ATOM 201 CE MET A 13 6.391 16.715 9.631 1.00 0.00 C ATOM 0 H MET A 13 2.996 20.865 6.022 1.00 0.00 H new ATOM 0 HA MET A 13 4.484 18.466 6.303 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.789 20.507 7.683 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.214 20.254 8.408 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.950 19.444 9.915 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.984 18.094 9.355 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.274 16.126 9.384 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.509 17.145 10.626 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.510 16.073 9.615 1.00 0.00 H new ATOM 211 N LYS A 14 1.305 18.383 7.193 1.00 0.00 N ATOM 212 CA LYS A 14 0.213 17.461 7.512 1.00 0.00 C ATOM 213 C LYS A 14 0.117 16.375 6.445 1.00 0.00 C ATOM 214 O LYS A 14 -0.045 15.209 6.765 1.00 0.00 O ATOM 215 CB LYS A 14 -1.107 18.225 7.606 1.00 0.00 C ATOM 216 CG LYS A 14 -2.287 17.401 8.122 1.00 0.00 C ATOM 217 CD LYS A 14 -3.606 18.159 7.946 1.00 0.00 C ATOM 218 CE LYS A 14 -3.670 19.431 8.804 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.936 20.187 8.538 1.00 0.00 N ATOM 0 H LYS A 14 1.019 19.352 7.055 1.00 0.00 H new ATOM 0 HA LYS A 14 0.417 16.991 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.968 19.085 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.357 18.614 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.334 16.453 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.137 17.165 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.731 18.425 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.436 17.504 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.614 19.166 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.810 20.065 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.846 21.155 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.111 20.221 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.731 19.710 9.009 1.00 0.00 H new ATOM 233 N LYS A 15 0.230 16.764 5.182 1.00 0.00 N ATOM 234 CA LYS A 15 0.170 15.821 4.066 1.00 0.00 C ATOM 235 C LYS A 15 1.364 14.882 4.117 1.00 0.00 C ATOM 236 O LYS A 15 1.195 13.676 4.007 1.00 0.00 O ATOM 237 CB LYS A 15 0.119 16.586 2.734 1.00 0.00 C ATOM 238 CG LYS A 15 -0.128 15.702 1.532 1.00 0.00 C ATOM 239 CD LYS A 15 -0.598 16.503 0.315 1.00 0.00 C ATOM 240 CE LYS A 15 -0.694 15.625 -0.941 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.436 14.337 -0.709 1.00 0.00 N ATOM 0 H LYS A 15 0.365 17.735 4.900 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.737 15.221 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.668 17.339 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.060 17.118 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.788 15.167 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.877 14.951 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.572 16.946 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.093 17.326 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.192 16.186 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.311 15.399 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.555 13.837 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.896 13.739 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.370 14.543 -0.302 1.00 0.00 H new ATOM 255 N MET A 16 2.558 15.429 4.310 1.00 0.00 N ATOM 256 CA MET A 16 3.773 14.615 4.406 1.00 0.00 C ATOM 257 C MET A 16 3.623 13.573 5.499 1.00 0.00 C ATOM 258 O MET A 16 3.920 12.405 5.294 1.00 0.00 O ATOM 259 CB MET A 16 4.993 15.476 4.748 1.00 0.00 C ATOM 260 CG MET A 16 5.505 16.336 3.618 1.00 0.00 C ATOM 261 SD MET A 16 6.944 17.285 4.147 1.00 0.00 S ATOM 262 CE MET A 16 8.265 16.095 3.897 1.00 0.00 C ATOM 0 H MET A 16 2.715 16.432 4.404 1.00 0.00 H new ATOM 0 HA MET A 16 3.918 14.139 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.739 16.121 5.589 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.799 14.822 5.080 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.769 15.709 2.767 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.719 17.013 3.283 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.217 16.543 4.183 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.081 15.213 4.510 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.301 15.806 2.847 1.00 0.00 H new ATOM 272 N MET A 17 3.172 14.009 6.665 1.00 0.00 N ATOM 273 CA MET A 17 3.000 13.118 7.805 1.00 0.00 C ATOM 274 C MET A 17 1.950 12.051 7.489 1.00 0.00 C ATOM 275 O MET A 17 2.224 10.862 7.599 1.00 0.00 O ATOM 276 CB MET A 17 2.608 13.951 9.035 1.00 0.00 C ATOM 277 CG MET A 17 2.463 13.169 10.335 1.00 0.00 C ATOM 278 SD MET A 17 0.857 12.368 10.507 1.00 0.00 S ATOM 279 CE MET A 17 -0.251 13.746 10.817 1.00 0.00 C ATOM 0 H MET A 17 2.917 14.979 6.848 1.00 0.00 H new ATOM 0 HA MET A 17 3.935 12.600 8.019 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.358 14.728 9.180 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.664 14.454 8.826 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.246 12.413 10.386 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.617 13.844 11.177 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.200 13.371 11.199 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.197 14.415 11.552 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.423 14.290 9.889 1.00 0.00 H new ATOM 289 N LYS A 18 0.763 12.480 7.080 1.00 0.00 N ATOM 290 CA LYS A 18 -0.342 11.565 6.783 1.00 0.00 C ATOM 291 C LYS A 18 0.031 10.567 5.703 1.00 0.00 C ATOM 292 O LYS A 18 -0.228 9.375 5.830 1.00 0.00 O ATOM 293 CB LYS A 18 -1.566 12.382 6.341 1.00 0.00 C ATOM 294 CG LYS A 18 -2.832 11.559 6.005 1.00 0.00 C ATOM 295 CD LYS A 18 -2.986 11.232 4.496 1.00 0.00 C ATOM 296 CE LYS A 18 -3.239 12.481 3.635 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.380 12.116 2.186 1.00 0.00 N ATOM 0 H LYS A 18 0.535 13.465 6.944 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.573 11.000 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.814 13.089 7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.292 12.968 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.807 10.626 6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.711 12.110 6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.084 10.731 4.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.811 10.532 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.143 12.985 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.416 13.185 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.178 12.949 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.710 11.356 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.350 11.790 2.003 1.00 0.00 H new ATOM 311 N ASP A 19 0.626 11.042 4.624 1.00 0.00 N ATOM 312 CA ASP A 19 0.948 10.149 3.522 1.00 0.00 C ATOM 313 C ASP A 19 2.145 9.267 3.855 1.00 0.00 C ATOM 314 O ASP A 19 2.288 8.204 3.280 1.00 0.00 O ATOM 315 CB ASP A 19 1.115 10.925 2.213 1.00 0.00 C ATOM 316 CG ASP A 19 -0.231 11.395 1.655 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.136 10.546 1.531 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.415 12.596 1.351 1.00 0.00 O ATOM 0 H ASP A 19 0.892 12.017 4.486 1.00 0.00 H new ATOM 0 HA ASP A 19 0.107 9.472 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.760 11.788 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.613 10.294 1.477 1.00 0.00 H new ATOM 323 N LEU A 20 2.991 9.655 4.801 1.00 0.00 N ATOM 324 CA LEU A 20 4.065 8.749 5.221 1.00 0.00 C ATOM 325 C LEU A 20 3.567 7.704 6.201 1.00 0.00 C ATOM 326 O LEU A 20 4.090 6.596 6.227 1.00 0.00 O ATOM 327 CB LEU A 20 5.256 9.484 5.825 1.00 0.00 C ATOM 328 CG LEU A 20 6.256 10.032 4.796 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.438 10.649 5.542 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.752 8.921 3.830 1.00 0.00 C ATOM 0 H LEU A 20 2.963 10.555 5.280 1.00 0.00 H new ATOM 0 HA LEU A 20 4.402 8.254 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.887 10.312 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.781 8.807 6.498 1.00 0.00 H new ATOM 0 HG LEU A 20 5.756 10.787 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.157 11.042 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.083 11.458 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.919 9.887 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.458 9.347 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.245 8.135 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.902 8.500 3.292 1.00 0.00 H new ATOM 342 N GLU A 21 2.551 8.022 6.990 1.00 0.00 N ATOM 343 CA GLU A 21 1.930 7.009 7.843 1.00 0.00 C ATOM 344 C GLU A 21 1.296 6.005 6.887 1.00 0.00 C ATOM 345 O GLU A 21 1.361 4.793 7.094 1.00 0.00 O ATOM 346 CB GLU A 21 0.869 7.619 8.763 1.00 0.00 C ATOM 347 CG GLU A 21 1.457 8.421 9.919 1.00 0.00 C ATOM 348 CD GLU A 21 0.384 8.968 10.854 1.00 0.00 C ATOM 349 OE1 GLU A 21 0.669 9.099 12.065 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.743 9.255 10.386 1.00 0.00 O ATOM 0 H GLU A 21 2.142 8.954 7.060 1.00 0.00 H new ATOM 0 HA GLU A 21 2.666 6.544 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.218 8.267 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.245 6.821 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.140 7.788 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.044 9.249 9.521 1.00 0.00 H new ATOM 357 N GLY A 22 0.716 6.523 5.814 1.00 0.00 N ATOM 358 CA GLY A 22 0.161 5.670 4.780 1.00 0.00 C ATOM 359 C GLY A 22 1.243 4.850 4.102 1.00 0.00 C ATOM 360 O GLY A 22 1.037 3.683 3.818 1.00 0.00 O ATOM 0 H GLY A 22 0.619 7.523 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.584 5.004 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.353 6.281 4.039 1.00 0.00 H new ATOM 364 N LEU A 23 2.404 5.438 3.845 1.00 0.00 N ATOM 365 CA LEU A 23 3.505 4.702 3.216 1.00 0.00 C ATOM 366 C LEU A 23 3.925 3.555 4.140 1.00 0.00 C ATOM 367 O LEU A 23 4.195 2.450 3.695 1.00 0.00 O ATOM 368 CB LEU A 23 4.686 5.632 2.911 1.00 0.00 C ATOM 369 CG LEU A 23 5.501 5.266 1.655 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.428 6.412 1.292 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.336 3.995 1.828 1.00 0.00 C ATOM 0 H LEU A 23 2.612 6.414 4.058 1.00 0.00 H new ATOM 0 HA LEU A 23 3.170 4.291 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.308 6.648 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.356 5.637 3.771 1.00 0.00 H new ATOM 0 HG LEU A 23 4.778 5.079 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.002 6.148 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.839 7.307 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.110 6.605 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.885 3.793 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.040 4.131 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.678 3.155 2.050 1.00 0.00 H new ATOM 383 N HIS A 24 3.955 3.807 5.439 1.00 0.00 N ATOM 384 CA HIS A 24 4.276 2.742 6.386 1.00 0.00 C ATOM 385 C HIS A 24 3.180 1.690 6.380 1.00 0.00 C ATOM 386 O HIS A 24 3.470 0.508 6.498 1.00 0.00 O ATOM 387 CB HIS A 24 4.498 3.293 7.790 1.00 0.00 C ATOM 388 CG HIS A 24 5.729 4.134 7.904 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.977 3.733 7.420 1.00 0.00 N ATOM 390 CD2 HIS A 24 5.942 5.372 8.421 1.00 0.00 C ATOM 391 CE1 HIS A 24 7.857 4.693 7.658 1.00 0.00 C ATOM 392 NE2 HIS A 24 7.256 5.686 8.261 1.00 0.00 N ATOM 0 H HIS A 24 3.766 4.717 5.859 1.00 0.00 H new ATOM 0 HA HIS A 24 5.209 2.275 6.071 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.632 3.887 8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.567 2.463 8.493 1.00 0.00 H new ATOM 0 HD1 HIS A 24 7.177 2.846 6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.194 6.001 8.881 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.904 4.661 7.396 1.00 0.00 H new ATOM 400 N ARG A 25 1.930 2.100 6.210 1.00 0.00 N ATOM 401 CA ARG A 25 0.839 1.132 6.062 1.00 0.00 C ATOM 402 C ARG A 25 1.061 0.318 4.785 1.00 0.00 C ATOM 403 O ARG A 25 0.732 -0.845 4.743 1.00 0.00 O ATOM 404 CB ARG A 25 -0.529 1.821 6.005 1.00 0.00 C ATOM 405 CG ARG A 25 -1.695 0.839 6.119 1.00 0.00 C ATOM 406 CD ARG A 25 -2.994 1.451 5.637 1.00 0.00 C ATOM 407 NE ARG A 25 -4.083 0.459 5.686 1.00 0.00 N ATOM 408 CZ ARG A 25 -5.295 0.622 5.168 1.00 0.00 C ATOM 409 NH1 ARG A 25 -5.644 1.714 4.534 1.00 0.00 N ATOM 410 NH2 ARG A 25 -6.171 -0.339 5.282 1.00 0.00 N ATOM 0 H ARG A 25 1.644 3.078 6.171 1.00 0.00 H new ATOM 0 HA ARG A 25 0.843 0.478 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.596 2.552 6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.614 2.371 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.476 -0.055 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.805 0.524 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.249 2.311 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.874 1.817 4.617 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.890 -0.425 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.975 2.476 4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.585 1.802 4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.921 -1.202 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.105 -0.227 4.889 1.00 0.00 H new ATOM 424 N ALA A 26 1.630 0.914 3.748 1.00 0.00 N ATOM 425 CA ALA A 26 1.917 0.170 2.522 1.00 0.00 C ATOM 426 C ALA A 26 3.021 -0.879 2.764 1.00 0.00 C ATOM 427 O ALA A 26 2.925 -1.984 2.272 1.00 0.00 O ATOM 428 CB ALA A 26 2.300 1.124 1.381 1.00 0.00 C ATOM 0 H ALA A 26 1.901 1.897 3.726 1.00 0.00 H new ATOM 0 HA ALA A 26 1.012 -0.359 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.509 0.548 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.476 1.811 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.187 1.691 1.663 1.00 0.00 H new ATOM 434 N GLU A 27 4.052 -0.551 3.533 1.00 0.00 N ATOM 435 CA GLU A 27 5.110 -1.533 3.871 1.00 0.00 C ATOM 436 C GLU A 27 4.480 -2.671 4.702 1.00 0.00 C ATOM 437 O GLU A 27 4.714 -3.909 4.499 1.00 0.00 O ATOM 438 CB GLU A 27 6.221 -0.833 4.670 1.00 0.00 C ATOM 439 CG GLU A 27 6.950 0.268 3.874 1.00 0.00 C ATOM 440 CD GLU A 27 7.857 1.148 4.742 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.958 1.510 4.280 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.464 1.497 5.883 1.00 0.00 O ATOM 0 H GLU A 27 4.190 0.375 3.938 1.00 0.00 H new ATOM 0 HA GLU A 27 5.546 -1.949 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.790 -0.395 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.948 -1.577 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.549 -0.197 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.211 0.898 3.379 1.00 0.00 H new ATOM 449 N GLN A 28 3.643 -2.236 5.632 1.00 0.00 N ATOM 450 CA GLN A 28 2.893 -3.152 6.454 1.00 0.00 C ATOM 451 C GLN A 28 2.067 -4.021 5.526 1.00 0.00 C ATOM 452 O GLN A 28 1.987 -5.188 5.748 1.00 0.00 O ATOM 453 CB GLN A 28 2.003 -2.400 7.447 1.00 0.00 C ATOM 454 CG GLN A 28 1.367 -3.297 8.493 1.00 0.00 C ATOM 455 CD GLN A 28 0.415 -2.548 9.400 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.308 -1.330 9.354 1.00 0.00 O ATOM 457 NE2 GLN A 28 -0.276 -3.275 10.238 1.00 0.00 N ATOM 0 H GLN A 28 3.471 -1.250 5.831 1.00 0.00 H new ATOM 0 HA GLN A 28 3.568 -3.768 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.597 -1.636 7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.217 -1.882 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.830 -4.105 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.150 -3.758 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.161 -4.288 10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.930 -2.829 10.881 1.00 0.00 H new ATOM 466 N SER A 29 1.477 -3.465 4.476 1.00 0.00 N ATOM 467 CA SER A 29 0.690 -4.270 3.543 1.00 0.00 C ATOM 468 C SER A 29 1.549 -5.234 2.731 1.00 0.00 C ATOM 469 O SER A 29 1.076 -6.286 2.402 1.00 0.00 O ATOM 470 CB SER A 29 -0.172 -3.405 2.615 1.00 0.00 C ATOM 471 OG SER A 29 0.578 -2.829 1.562 1.00 0.00 O ATOM 0 H SER A 29 1.525 -2.472 4.248 1.00 0.00 H new ATOM 0 HA SER A 29 0.021 -4.868 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.973 -4.014 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.644 -2.613 3.196 1.00 0.00 H new ATOM 0 HG SER A 29 1.441 -2.519 1.907 1.00 0.00 H new ATOM 477 N LEU A 30 2.808 -4.917 2.431 1.00 0.00 N ATOM 478 CA LEU A 30 3.687 -5.903 1.770 1.00 0.00 C ATOM 479 C LEU A 30 3.697 -7.086 2.738 1.00 0.00 C ATOM 480 O LEU A 30 3.299 -8.224 2.403 1.00 0.00 O ATOM 481 CB LEU A 30 5.144 -5.404 1.619 1.00 0.00 C ATOM 482 CG LEU A 30 5.590 -4.633 0.369 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.271 -3.163 0.373 1.00 0.00 C ATOM 484 CD2 LEU A 30 7.114 -4.797 0.225 1.00 0.00 C ATOM 0 H LEU A 30 3.241 -4.014 2.625 1.00 0.00 H new ATOM 0 HA LEU A 30 3.326 -6.124 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.354 -4.768 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.791 -6.277 1.703 1.00 0.00 H new ATOM 0 HG LEU A 30 5.029 -5.057 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.627 -2.711 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.193 -3.025 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.762 -2.686 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.456 -4.257 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.608 -4.396 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.358 -5.854 0.121 1.00 0.00 H new ATOM 496 N HIS A 31 4.164 -6.842 3.954 1.00 0.00 N ATOM 497 CA HIS A 31 4.381 -8.001 4.829 1.00 0.00 C ATOM 498 C HIS A 31 3.148 -8.606 5.525 1.00 0.00 C ATOM 499 O HIS A 31 3.123 -9.814 5.823 1.00 0.00 O ATOM 500 CB HIS A 31 5.524 -7.712 5.782 1.00 0.00 C ATOM 501 CG HIS A 31 6.819 -7.470 5.065 1.00 0.00 C ATOM 502 ND1 HIS A 31 7.167 -8.063 3.868 1.00 0.00 N ATOM 503 CD2 HIS A 31 7.868 -6.660 5.374 1.00 0.00 C ATOM 504 CE1 HIS A 31 8.366 -7.614 3.518 1.00 0.00 C ATOM 505 NE2 HIS A 31 8.845 -6.759 4.400 1.00 0.00 N ATOM 0 H HIS A 31 4.388 -5.926 4.343 1.00 0.00 H new ATOM 0 HA HIS A 31 4.651 -8.815 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.278 -6.839 6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.643 -8.551 6.468 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.601 -8.730 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.929 -6.032 6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.886 -7.913 2.620 1.00 0.00 H new ATOM 513 N ASP A 32 2.116 -7.816 5.756 1.00 0.00 N ATOM 514 CA ASP A 32 0.897 -8.356 6.333 1.00 0.00 C ATOM 515 C ASP A 32 0.154 -9.106 5.249 1.00 0.00 C ATOM 516 O ASP A 32 -0.503 -10.072 5.562 1.00 0.00 O ATOM 517 CB ASP A 32 0.031 -7.322 7.116 1.00 0.00 C ATOM 518 CG ASP A 32 -0.843 -6.403 6.230 1.00 0.00 C ATOM 519 OD1 ASP A 32 -0.965 -5.214 6.600 1.00 0.00 O ATOM 520 OD2 ASP A 32 -1.442 -6.844 5.228 1.00 0.00 O ATOM 0 H ASP A 32 2.095 -6.816 5.558 1.00 0.00 H new ATOM 0 HA ASP A 32 1.166 -9.055 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.618 -7.861 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.691 -6.700 7.720 1.00 0.00 H new ATOM 525 N LEU A 33 0.274 -8.722 3.977 1.00 0.00 N ATOM 526 CA LEU A 33 -0.343 -9.522 2.921 1.00 0.00 C ATOM 527 C LEU A 33 0.450 -10.798 2.826 1.00 0.00 C ATOM 528 O LEU A 33 -0.143 -11.846 2.648 1.00 0.00 O ATOM 529 CB LEU A 33 -0.391 -8.836 1.555 1.00 0.00 C ATOM 530 CG LEU A 33 -1.457 -7.736 1.386 1.00 0.00 C ATOM 531 CD1 LEU A 33 -1.210 -6.985 0.076 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.882 -8.320 1.389 1.00 0.00 C ATOM 0 H LEU A 33 0.775 -7.891 3.661 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.387 -9.691 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.588 -8.399 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.561 -9.598 0.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.375 -7.053 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.963 -6.207 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.219 -6.531 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.271 -7.682 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.606 -7.514 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.987 -9.028 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.064 -8.831 2.334 1.00 0.00 H new ATOM 544 N GLN A 34 1.774 -10.742 2.980 1.00 0.00 N ATOM 545 CA GLN A 34 2.537 -12.000 3.040 1.00 0.00 C ATOM 546 C GLN A 34 1.942 -12.911 4.128 1.00 0.00 C ATOM 547 O GLN A 34 1.541 -14.065 3.854 1.00 0.00 O ATOM 548 CB GLN A 34 4.018 -11.767 3.377 1.00 0.00 C ATOM 549 CG GLN A 34 4.957 -11.828 2.200 1.00 0.00 C ATOM 550 CD GLN A 34 5.125 -10.488 1.544 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.986 -9.689 1.937 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.316 -10.220 0.558 1.00 0.00 N ATOM 0 H GLN A 34 2.323 -9.887 3.062 1.00 0.00 H new ATOM 0 HA GLN A 34 2.471 -12.461 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.118 -10.791 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.330 -12.511 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.929 -12.194 2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.578 -12.544 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.621 -10.908 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.378 -9.322 0.077 1.00 0.00 H new ATOM 561 N GLU A 35 1.888 -12.416 5.361 1.00 0.00 N ATOM 562 CA GLU A 35 1.391 -13.248 6.462 1.00 0.00 C ATOM 563 C GLU A 35 -0.066 -13.672 6.263 1.00 0.00 C ATOM 564 O GLU A 35 -0.417 -14.827 6.496 1.00 0.00 O ATOM 565 CB GLU A 35 1.538 -12.541 7.815 1.00 0.00 C ATOM 566 CG GLU A 35 1.005 -13.406 8.954 1.00 0.00 C ATOM 567 CD GLU A 35 1.566 -13.058 10.313 1.00 0.00 C ATOM 568 OE1 GLU A 35 1.889 -14.022 11.058 1.00 0.00 O ATOM 569 OE2 GLU A 35 1.682 -11.869 10.656 1.00 0.00 O ATOM 0 H GLU A 35 2.172 -11.472 5.623 1.00 0.00 H new ATOM 0 HA GLU A 35 2.009 -14.146 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.588 -12.307 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.000 -11.593 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.081 -13.314 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.230 -14.450 8.738 1.00 0.00 H new ATOM 576 N ARG A 36 -0.914 -12.754 5.822 1.00 0.00 N ATOM 577 CA ARG A 36 -2.328 -13.058 5.604 1.00 0.00 C ATOM 578 C ARG A 36 -2.487 -14.093 4.523 1.00 0.00 C ATOM 579 O ARG A 36 -3.289 -14.986 4.670 1.00 0.00 O ATOM 580 CB ARG A 36 -3.100 -11.803 5.210 1.00 0.00 C ATOM 581 CG ARG A 36 -3.469 -10.912 6.387 1.00 0.00 C ATOM 582 CD ARG A 36 -3.702 -9.477 5.936 1.00 0.00 C ATOM 583 NE ARG A 36 -4.629 -8.774 6.838 1.00 0.00 N ATOM 584 CZ ARG A 36 -4.789 -7.457 6.899 1.00 0.00 C ATOM 585 NH1 ARG A 36 -4.087 -6.624 6.178 1.00 0.00 N ATOM 586 NH2 ARG A 36 -5.678 -6.969 7.718 1.00 0.00 N ATOM 0 H ARG A 36 -0.651 -11.792 5.607 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.730 -13.446 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.502 -11.227 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.011 -12.097 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.368 -11.295 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.672 -10.938 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.751 -8.945 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.105 -9.473 4.923 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.194 -9.345 7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.380 -6.978 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.246 -5.620 6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.236 -7.596 8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.816 -5.960 7.779 1.00 0.00 H new ATOM 600 N LEU A 37 -1.723 -13.992 3.448 1.00 0.00 N ATOM 601 CA LEU A 37 -1.774 -14.985 2.378 1.00 0.00 C ATOM 602 C LEU A 37 -1.321 -16.320 2.933 1.00 0.00 C ATOM 603 O LEU A 37 -1.971 -17.358 2.704 1.00 0.00 O ATOM 604 CB LEU A 37 -0.862 -14.567 1.220 1.00 0.00 C ATOM 605 CG LEU A 37 -0.759 -15.568 0.059 1.00 0.00 C ATOM 606 CD1 LEU A 37 -0.806 -14.827 -1.253 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.544 -16.381 0.147 1.00 0.00 C ATOM 0 H LEU A 37 -1.059 -13.234 3.289 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.794 -15.063 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.220 -13.616 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.139 -14.392 1.615 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.600 -16.258 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.733 -15.538 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.746 -14.280 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.027 -14.126 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.592 -17.082 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.398 -15.705 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.566 -16.932 1.087 1.00 0.00 H new ATOM 619 N HIS A 38 -0.216 -16.310 3.672 1.00 0.00 N ATOM 620 CA HIS A 38 0.285 -17.565 4.222 1.00 0.00 C ATOM 621 C HIS A 38 -0.755 -18.204 5.136 1.00 0.00 C ATOM 622 O HIS A 38 -0.974 -19.395 5.039 1.00 0.00 O ATOM 623 CB HIS A 38 1.619 -17.377 4.944 1.00 0.00 C ATOM 624 CG HIS A 38 2.795 -17.347 4.015 1.00 0.00 C ATOM 625 ND1 HIS A 38 3.184 -16.250 3.294 1.00 0.00 N ATOM 626 CD2 HIS A 38 3.676 -18.325 3.669 1.00 0.00 C ATOM 627 CE1 HIS A 38 4.244 -16.580 2.566 1.00 0.00 C ATOM 628 NE2 HIS A 38 4.592 -17.837 2.755 1.00 0.00 N ATOM 0 H HIS A 38 0.333 -15.480 3.898 1.00 0.00 H new ATOM 0 HA HIS A 38 0.468 -18.242 3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.589 -16.447 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.753 -18.185 5.663 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.735 -15.334 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.662 -19.335 4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.758 -15.902 1.901 1.00 0.00 H new ATOM 636 N LYS A 39 -1.412 -17.429 5.993 1.00 0.00 N ATOM 637 CA LYS A 39 -2.454 -17.976 6.881 1.00 0.00 C ATOM 638 C LYS A 39 -3.717 -18.358 6.119 1.00 0.00 C ATOM 639 O LYS A 39 -4.369 -19.345 6.442 1.00 0.00 O ATOM 640 CB LYS A 39 -2.829 -16.968 7.972 1.00 0.00 C ATOM 641 CG LYS A 39 -2.170 -17.247 9.321 1.00 0.00 C ATOM 642 CD LYS A 39 -0.685 -16.918 9.320 1.00 0.00 C ATOM 643 CE LYS A 39 -0.062 -17.267 10.659 1.00 0.00 C ATOM 644 NZ LYS A 39 1.370 -16.828 10.727 1.00 0.00 N ATOM 0 H LYS A 39 -1.250 -16.427 6.098 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.031 -18.874 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.549 -15.968 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.912 -16.970 8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.668 -16.662 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.307 -18.297 9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.185 -17.470 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.542 -15.858 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.628 -16.792 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.122 -18.343 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.834 -17.280 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.860 -17.104 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.411 -15.795 10.836 1.00 0.00 H new ATOM 658 N ALA A 40 -4.059 -17.584 5.100 1.00 0.00 N ATOM 659 CA ALA A 40 -5.229 -17.874 4.282 1.00 0.00 C ATOM 660 C ALA A 40 -4.994 -19.204 3.593 1.00 0.00 C ATOM 661 O ALA A 40 -5.907 -19.997 3.445 1.00 0.00 O ATOM 662 CB ALA A 40 -5.469 -16.766 3.255 1.00 0.00 C ATOM 0 H ALA A 40 -3.543 -16.750 4.819 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.119 -17.925 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.348 -17.008 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.630 -15.820 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.600 -16.680 2.603 1.00 0.00 H new ATOM 668 N GLN A 41 -3.765 -19.470 3.184 1.00 0.00 N ATOM 669 CA GLN A 41 -3.484 -20.781 2.625 1.00 0.00 C ATOM 670 C GLN A 41 -3.536 -21.810 3.773 1.00 0.00 C ATOM 671 O GLN A 41 -4.336 -22.738 3.745 1.00 0.00 O ATOM 672 CB GLN A 41 -2.111 -20.777 1.932 1.00 0.00 C ATOM 673 CG GLN A 41 -1.888 -21.912 0.916 1.00 0.00 C ATOM 674 CD GLN A 41 -1.893 -23.302 1.532 1.00 0.00 C ATOM 675 OE1 GLN A 41 -2.648 -24.166 1.119 1.00 0.00 O ATOM 676 NE2 GLN A 41 -1.047 -23.522 2.505 1.00 0.00 N ATOM 0 H GLN A 41 -2.975 -18.826 3.225 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.224 -21.046 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.982 -19.823 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.336 -20.837 2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.665 -21.861 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.935 -21.753 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.431 -22.774 2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.003 -24.441 2.945 1.00 0.00 H new ATOM 685 N GLU A 42 -2.686 -21.607 4.773 1.00 0.00 N ATOM 686 CA GLU A 42 -2.471 -22.552 5.880 1.00 0.00 C ATOM 687 C GLU A 42 -3.751 -23.089 6.507 1.00 0.00 C ATOM 688 O GLU A 42 -3.865 -24.288 6.743 1.00 0.00 O ATOM 689 CB GLU A 42 -1.607 -21.845 6.941 1.00 0.00 C ATOM 690 CG GLU A 42 -1.107 -22.697 8.092 1.00 0.00 C ATOM 691 CD GLU A 42 -0.072 -21.942 8.944 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.214 -20.704 9.134 1.00 0.00 O ATOM 693 OE2 GLU A 42 0.893 -22.588 9.414 1.00 0.00 O ATOM 0 H GLU A 42 -2.112 -20.767 4.845 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.972 -23.431 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.743 -21.409 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.185 -21.019 7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.948 -22.994 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.661 -23.612 7.702 1.00 0.00 H new ATOM 700 N GLU A 43 -4.707 -22.211 6.763 1.00 0.00 N ATOM 701 CA GLU A 43 -5.978 -22.628 7.339 1.00 0.00 C ATOM 702 C GLU A 43 -7.074 -22.853 6.284 1.00 0.00 C ATOM 703 O GLU A 43 -7.808 -23.838 6.341 1.00 0.00 O ATOM 704 CB GLU A 43 -6.441 -21.547 8.327 1.00 0.00 C ATOM 705 CG GLU A 43 -7.555 -21.979 9.283 1.00 0.00 C ATOM 706 CD GLU A 43 -7.027 -22.755 10.490 1.00 0.00 C ATOM 707 OE1 GLU A 43 -7.402 -23.937 10.663 1.00 0.00 O ATOM 708 OE2 GLU A 43 -6.240 -22.174 11.273 1.00 0.00 O ATOM 0 H GLU A 43 -4.630 -21.210 6.583 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.818 -23.585 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.583 -21.223 8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.784 -20.681 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.093 -21.097 9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.272 -22.598 8.743 1.00 0.00 H new ATOM 715 N HIS A 44 -7.218 -21.919 5.347 1.00 0.00 N ATOM 716 CA HIS A 44 -8.398 -21.925 4.456 1.00 0.00 C ATOM 717 C HIS A 44 -8.196 -22.481 3.055 1.00 0.00 C ATOM 718 O HIS A 44 -9.159 -22.891 2.412 1.00 0.00 O ATOM 719 CB HIS A 44 -8.992 -20.512 4.354 1.00 0.00 C ATOM 720 CG HIS A 44 -9.326 -19.906 5.681 1.00 0.00 C ATOM 721 ND1 HIS A 44 -8.501 -19.058 6.378 1.00 0.00 N ATOM 722 CD2 HIS A 44 -10.433 -20.040 6.464 1.00 0.00 C ATOM 723 CE1 HIS A 44 -9.108 -18.723 7.511 1.00 0.00 C ATOM 724 NE2 HIS A 44 -10.294 -19.289 7.614 1.00 0.00 N ATOM 0 H HIS A 44 -6.556 -21.162 5.179 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.080 -22.625 4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.283 -19.865 3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.894 -20.549 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.294 -20.645 6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.682 -18.067 8.256 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.964 -19.193 8.377 1.00 0.00 H new ATOM 732 N ARG A 45 -6.952 -22.479 2.592 1.00 0.00 N ATOM 733 CA ARG A 45 -6.557 -22.975 1.258 1.00 0.00 C ATOM 734 C ARG A 45 -7.554 -22.717 0.111 1.00 0.00 C ATOM 735 O ARG A 45 -7.953 -23.636 -0.604 1.00 0.00 O ATOM 736 CB ARG A 45 -6.178 -24.460 1.339 1.00 0.00 C ATOM 737 CG ARG A 45 -7.286 -25.419 1.837 1.00 0.00 C ATOM 738 CD ARG A 45 -6.913 -26.838 1.512 1.00 0.00 C ATOM 739 NE ARG A 45 -6.822 -26.990 0.052 1.00 0.00 N ATOM 740 CZ ARG A 45 -6.301 -28.024 -0.587 1.00 0.00 C ATOM 741 NH1 ARG A 45 -5.815 -29.064 0.045 1.00 0.00 N ATOM 742 NH2 ARG A 45 -6.259 -28.002 -1.890 1.00 0.00 N ATOM 0 H ARG A 45 -6.165 -22.127 3.137 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.691 -22.372 0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.860 -24.787 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.316 -24.559 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.422 -25.306 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.237 -25.166 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.960 -27.092 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.657 -27.524 1.916 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.194 -26.230 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.831 -29.094 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.421 -29.843 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.624 -27.197 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.861 -28.790 -2.401 1.00 0.00 H new ATOM 756 N THR A 46 -7.920 -21.449 -0.046 1.00 0.00 N ATOM 757 CA THR A 46 -8.859 -20.974 -1.079 1.00 0.00 C ATOM 758 C THR A 46 -8.722 -21.575 -2.491 1.00 0.00 C ATOM 759 O THR A 46 -7.655 -22.039 -2.898 1.00 0.00 O ATOM 760 CB THR A 46 -8.701 -19.422 -1.214 1.00 0.00 C ATOM 761 OG1 THR A 46 -9.469 -18.918 -2.314 1.00 0.00 O ATOM 762 CG2 THR A 46 -7.225 -19.037 -1.443 1.00 0.00 C ATOM 0 H THR A 46 -7.569 -20.699 0.550 1.00 0.00 H new ATOM 0 HA THR A 46 -9.835 -21.303 -0.722 1.00 0.00 H new ATOM 0 HB THR A 46 -9.060 -18.984 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.724 -17.989 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.141 -17.954 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.625 -19.378 -0.599 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.864 -19.507 -2.358 1.00 0.00 H new ATOM 770 N VAL A 47 -9.814 -21.527 -3.252 1.00 0.00 N ATOM 771 CA VAL A 47 -9.831 -21.987 -4.649 1.00 0.00 C ATOM 772 C VAL A 47 -8.827 -21.208 -5.502 1.00 0.00 C ATOM 773 O VAL A 47 -8.437 -21.647 -6.579 1.00 0.00 O ATOM 774 CB VAL A 47 -11.245 -21.813 -5.304 1.00 0.00 C ATOM 775 CG1 VAL A 47 -12.266 -22.720 -4.638 1.00 0.00 C ATOM 776 CG2 VAL A 47 -11.734 -20.343 -5.221 1.00 0.00 C ATOM 0 H VAL A 47 -10.711 -21.170 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.566 -23.044 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.146 -22.090 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.239 -22.581 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.955 -23.759 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.338 -22.471 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.717 -20.260 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.799 -20.040 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.030 -19.695 -5.744 1.00 0.00 H new ATOM 786 N GLU A 48 -8.394 -20.056 -5.012 1.00 0.00 N ATOM 787 CA GLU A 48 -7.419 -19.236 -5.717 1.00 0.00 C ATOM 788 C GLU A 48 -5.989 -19.724 -5.479 1.00 0.00 C ATOM 789 O GLU A 48 -5.043 -18.984 -5.715 1.00 0.00 O ATOM 790 CB GLU A 48 -7.524 -17.779 -5.269 1.00 0.00 C ATOM 791 CG GLU A 48 -8.878 -17.149 -5.513 1.00 0.00 C ATOM 792 CD GLU A 48 -8.796 -15.643 -5.426 1.00 0.00 C ATOM 793 OE1 GLU A 48 -8.119 -15.129 -4.506 1.00 0.00 O ATOM 794 OE2 GLU A 48 -9.377 -14.951 -6.292 1.00 0.00 O ATOM 0 H GLU A 48 -8.705 -19.665 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.643 -19.317 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.296 -17.721 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.765 -17.195 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.247 -17.441 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.594 -17.521 -4.780 1.00 0.00 H new ATOM 801 N VAL A 49 -5.829 -20.960 -5.026 1.00 0.00 N ATOM 802 CA VAL A 49 -4.505 -21.532 -4.746 1.00 0.00 C ATOM 803 C VAL A 49 -3.563 -21.419 -5.961 1.00 0.00 C ATOM 804 O VAL A 49 -2.359 -21.216 -5.805 1.00 0.00 O ATOM 805 CB VAL A 49 -4.634 -23.015 -4.237 1.00 0.00 C ATOM 806 CG1 VAL A 49 -5.203 -23.950 -5.323 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.289 -23.541 -3.723 1.00 0.00 C ATOM 0 H VAL A 49 -6.604 -21.597 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.051 -20.946 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.341 -23.007 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.275 -24.964 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.194 -23.604 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.543 -23.944 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.408 -24.568 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.555 -23.512 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.946 -22.918 -2.897 1.00 0.00 H new ATOM 817 N GLU A 50 -4.105 -21.513 -7.168 1.00 0.00 N ATOM 818 CA GLU A 50 -3.295 -21.369 -8.379 1.00 0.00 C ATOM 819 C GLU A 50 -2.774 -19.934 -8.505 1.00 0.00 C ATOM 820 O GLU A 50 -1.634 -19.706 -8.882 1.00 0.00 O ATOM 821 CB GLU A 50 -4.122 -21.733 -9.616 1.00 0.00 C ATOM 822 CG GLU A 50 -4.660 -23.165 -9.595 1.00 0.00 C ATOM 823 CD GLU A 50 -3.557 -24.201 -9.412 1.00 0.00 C ATOM 824 OE1 GLU A 50 -3.672 -25.036 -8.488 1.00 0.00 O ATOM 825 OE2 GLU A 50 -2.573 -24.176 -10.182 1.00 0.00 O ATOM 0 H GLU A 50 -5.095 -21.687 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.445 -22.047 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.960 -21.041 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.507 -21.598 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.385 -23.265 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.190 -23.364 -10.526 1.00 0.00 H new ATOM 832 N LYS A 51 -3.611 -18.961 -8.166 1.00 0.00 N ATOM 833 CA LYS A 51 -3.213 -17.547 -8.208 1.00 0.00 C ATOM 834 C LYS A 51 -2.219 -17.295 -7.083 1.00 0.00 C ATOM 835 O LYS A 51 -1.287 -16.520 -7.233 1.00 0.00 O ATOM 836 CB LYS A 51 -4.437 -16.631 -8.022 1.00 0.00 C ATOM 837 CG LYS A 51 -4.142 -15.133 -8.254 1.00 0.00 C ATOM 838 CD LYS A 51 -4.859 -14.231 -7.236 1.00 0.00 C ATOM 839 CE LYS A 51 -6.362 -14.157 -7.474 1.00 0.00 C ATOM 840 NZ LYS A 51 -7.042 -13.253 -6.476 1.00 0.00 N ATOM 0 H LYS A 51 -4.571 -19.118 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.763 -17.327 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.222 -16.947 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.826 -16.762 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.067 -14.963 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.451 -14.856 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.672 -14.606 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.437 -13.227 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.553 -13.793 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.790 -15.157 -7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.006 -13.038 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.088 -13.728 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.502 -12.369 -6.384 1.00 0.00 H new ATOM 854 N VAL A 52 -2.432 -17.963 -5.959 1.00 0.00 N ATOM 855 CA VAL A 52 -1.600 -17.812 -4.758 1.00 0.00 C ATOM 856 C VAL A 52 -0.137 -18.275 -4.971 1.00 0.00 C ATOM 857 O VAL A 52 0.722 -17.941 -4.162 1.00 0.00 O ATOM 858 CB VAL A 52 -2.317 -18.551 -3.547 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.411 -18.790 -2.335 1.00 0.00 C ATOM 860 CG2 VAL A 52 -3.542 -17.730 -3.087 1.00 0.00 C ATOM 0 H VAL A 52 -3.193 -18.633 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.510 -16.752 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.608 -19.530 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.976 -19.298 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.563 -19.408 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.049 -17.834 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.031 -18.240 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.217 -16.741 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.244 -17.629 -3.915 1.00 0.00 H new ATOM 870 N HIS A 53 0.151 -19.006 -6.054 1.00 0.00 N ATOM 871 CA HIS A 53 1.518 -19.501 -6.351 1.00 0.00 C ATOM 872 C HIS A 53 2.654 -18.499 -6.006 1.00 0.00 C ATOM 873 O HIS A 53 2.880 -17.480 -6.667 1.00 0.00 O ATOM 874 CB HIS A 53 1.611 -20.044 -7.794 1.00 0.00 C ATOM 875 CG HIS A 53 1.597 -18.996 -8.871 1.00 0.00 C ATOM 876 ND1 HIS A 53 0.818 -17.864 -8.869 1.00 0.00 N ATOM 877 CD2 HIS A 53 2.285 -18.942 -10.044 1.00 0.00 C ATOM 878 CE1 HIS A 53 1.047 -17.197 -9.992 1.00 0.00 C ATOM 879 NE2 HIS A 53 1.942 -17.806 -10.747 1.00 0.00 N ATOM 0 H HIS A 53 -0.545 -19.274 -6.750 1.00 0.00 H new ATOM 0 HA HIS A 53 1.691 -20.335 -5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.527 -20.627 -7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.779 -20.728 -7.963 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.173 -17.584 -8.130 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.997 -19.682 -10.377 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.561 -16.269 -10.256 1.00 0.00 H new ATOM 887 N LEU A 54 3.327 -18.819 -4.906 1.00 0.00 N ATOM 888 CA LEU A 54 4.209 -17.898 -4.181 1.00 0.00 C ATOM 889 C LEU A 54 5.128 -16.947 -4.935 1.00 0.00 C ATOM 890 O LEU A 54 5.127 -15.773 -4.635 1.00 0.00 O ATOM 891 CB LEU A 54 5.054 -18.686 -3.170 1.00 0.00 C ATOM 892 CG LEU A 54 4.281 -19.440 -2.070 1.00 0.00 C ATOM 893 CD1 LEU A 54 5.260 -20.275 -1.249 1.00 0.00 C ATOM 894 CD2 LEU A 54 3.520 -18.486 -1.146 1.00 0.00 C ATOM 0 H LEU A 54 3.277 -19.745 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 54 3.479 -17.216 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.658 -19.408 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.744 -17.993 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 54 3.547 -20.083 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.717 -20.810 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.761 -20.992 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.001 -19.620 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.990 -19.061 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.224 -17.809 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.803 -17.909 -1.730 1.00 0.00 H new ATOM 906 N GLU A 55 5.923 -17.414 -5.883 1.00 0.00 N ATOM 907 CA GLU A 55 6.886 -16.511 -6.528 1.00 0.00 C ATOM 908 C GLU A 55 6.198 -15.309 -7.192 1.00 0.00 C ATOM 909 O GLU A 55 6.388 -14.148 -6.785 1.00 0.00 O ATOM 910 CB GLU A 55 7.721 -17.266 -7.571 1.00 0.00 C ATOM 911 CG GLU A 55 8.828 -16.402 -8.179 1.00 0.00 C ATOM 912 CD GLU A 55 9.507 -17.047 -9.380 1.00 0.00 C ATOM 913 OE1 GLU A 55 10.744 -16.942 -9.496 1.00 0.00 O ATOM 914 OE2 GLU A 55 8.798 -17.636 -10.225 1.00 0.00 O ATOM 0 H GLU A 55 5.931 -18.377 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 55 7.539 -16.133 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.166 -18.146 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.066 -17.622 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.406 -15.443 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.577 -16.194 -7.415 1.00 0.00 H new ATOM 921 N LYS A 56 5.409 -15.584 -8.223 1.00 0.00 N ATOM 922 CA LYS A 56 4.764 -14.520 -8.981 1.00 0.00 C ATOM 923 C LYS A 56 3.782 -13.800 -8.096 1.00 0.00 C ATOM 924 O LYS A 56 3.719 -12.585 -8.123 1.00 0.00 O ATOM 925 CB LYS A 56 4.018 -15.066 -10.200 1.00 0.00 C ATOM 926 CG LYS A 56 4.881 -15.329 -11.438 1.00 0.00 C ATOM 927 CD LYS A 56 5.669 -16.633 -11.344 1.00 0.00 C ATOM 928 CE LYS A 56 6.462 -16.880 -12.618 1.00 0.00 C ATOM 929 NZ LYS A 56 7.264 -18.144 -12.510 1.00 0.00 N ATOM 0 H LYS A 56 5.201 -16.527 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 56 5.542 -13.840 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.527 -15.997 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.232 -14.360 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.242 -15.359 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.575 -14.500 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.346 -16.593 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.986 -17.464 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.782 -16.947 -13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.127 -16.037 -12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.886 -18.232 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.841 -18.116 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.621 -18.961 -12.472 1.00 0.00 H new ATOM 943 N LYS A 57 3.023 -14.543 -7.302 1.00 0.00 N ATOM 944 CA LYS A 57 2.026 -13.919 -6.446 1.00 0.00 C ATOM 945 C LYS A 57 2.645 -12.916 -5.519 1.00 0.00 C ATOM 946 O LYS A 57 2.234 -11.774 -5.514 1.00 0.00 O ATOM 947 CB LYS A 57 1.274 -14.953 -5.618 1.00 0.00 C ATOM 948 CG LYS A 57 0.200 -14.356 -4.709 1.00 0.00 C ATOM 949 CD LYS A 57 -0.850 -13.576 -5.494 1.00 0.00 C ATOM 950 CE LYS A 57 -2.116 -13.414 -4.691 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.075 -12.352 -3.618 1.00 0.00 N ATOM 0 H LYS A 57 3.077 -15.559 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 57 1.326 -13.411 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.808 -15.673 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.989 -15.504 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.286 -15.156 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.670 -13.697 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.456 -12.595 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.071 -14.094 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.932 -13.183 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.353 -14.369 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.755 -12.590 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.118 -12.303 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.324 -11.431 -4.032 1.00 0.00 H new ATOM 965 N LEU A 58 3.620 -13.326 -4.723 1.00 0.00 N ATOM 966 CA LEU A 58 4.201 -12.409 -3.758 1.00 0.00 C ATOM 967 C LEU A 58 4.902 -11.276 -4.483 1.00 0.00 C ATOM 968 O LEU A 58 4.832 -10.140 -4.030 1.00 0.00 O ATOM 969 CB LEU A 58 5.159 -13.120 -2.797 1.00 0.00 C ATOM 970 CG LEU A 58 4.527 -14.195 -1.885 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.617 -14.810 -1.007 1.00 0.00 C ATOM 972 CD2 LEU A 58 3.412 -13.631 -1.012 1.00 0.00 C ATOM 0 H LEU A 58 4.018 -14.265 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 58 3.393 -11.999 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.950 -13.588 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.633 -12.369 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 58 4.079 -14.956 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.178 -15.570 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.378 -15.267 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.073 -14.032 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.000 -14.425 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.812 -12.842 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.625 -13.222 -1.646 1.00 0.00 H new ATOM 984 N ARG A 59 5.557 -11.551 -5.610 1.00 0.00 N ATOM 985 CA ARG A 59 6.202 -10.458 -6.357 1.00 0.00 C ATOM 986 C ARG A 59 5.186 -9.420 -6.821 1.00 0.00 C ATOM 987 O ARG A 59 5.414 -8.229 -6.665 1.00 0.00 O ATOM 988 CB ARG A 59 6.956 -10.983 -7.576 1.00 0.00 C ATOM 989 CG ARG A 59 8.302 -11.594 -7.239 1.00 0.00 C ATOM 990 CD ARG A 59 8.911 -12.240 -8.467 1.00 0.00 C ATOM 991 NE ARG A 59 10.169 -12.931 -8.139 1.00 0.00 N ATOM 992 CZ ARG A 59 10.846 -13.721 -8.966 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.449 -13.954 -10.193 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.931 -14.302 -8.541 1.00 0.00 N ATOM 0 H ARG A 59 5.657 -12.480 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 59 6.907 -9.990 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.342 -11.731 -8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.104 -10.165 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.972 -10.825 -6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.184 -12.337 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.204 -12.951 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.098 -11.480 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 59 10.551 -12.793 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.593 -13.523 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.996 -14.566 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.251 -14.148 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.461 -14.911 -9.164 1.00 0.00 H new ATOM 1008 N ASP A 60 4.083 -9.862 -7.394 1.00 0.00 N ATOM 1009 CA ASP A 60 3.068 -8.946 -7.924 1.00 0.00 C ATOM 1010 C ASP A 60 2.318 -8.244 -6.797 1.00 0.00 C ATOM 1011 O ASP A 60 1.954 -7.081 -6.910 1.00 0.00 O ATOM 1012 CB ASP A 60 2.085 -9.711 -8.814 1.00 0.00 C ATOM 1013 CG ASP A 60 2.737 -10.224 -10.096 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.193 -11.169 -10.705 1.00 0.00 O ATOM 1015 OD2 ASP A 60 3.792 -9.672 -10.498 1.00 0.00 O ATOM 0 H ASP A 60 3.859 -10.850 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 60 3.574 -8.185 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.674 -10.553 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.249 -9.060 -9.070 1.00 0.00 H new ATOM 1020 N GLU A 61 2.107 -8.957 -5.705 1.00 0.00 N ATOM 1021 CA GLU A 61 1.433 -8.435 -4.515 1.00 0.00 C ATOM 1022 C GLU A 61 2.223 -7.256 -3.944 1.00 0.00 C ATOM 1023 O GLU A 61 1.706 -6.130 -3.805 1.00 0.00 O ATOM 1024 CB GLU A 61 1.345 -9.590 -3.516 1.00 0.00 C ATOM 1025 CG GLU A 61 0.667 -9.348 -2.216 1.00 0.00 C ATOM 1026 CD GLU A 61 0.606 -10.651 -1.435 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.493 -10.898 -0.588 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.327 -11.451 -1.702 1.00 0.00 O ATOM 0 H GLU A 61 2.401 -9.929 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 61 0.434 -8.065 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.834 -10.417 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.361 -9.924 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.207 -8.593 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.339 -8.962 -2.383 1.00 0.00 H new ATOM 1035 N ILE A 62 3.490 -7.484 -3.632 1.00 0.00 N ATOM 1036 CA ILE A 62 4.318 -6.404 -3.140 1.00 0.00 C ATOM 1037 C ILE A 62 4.600 -5.360 -4.206 1.00 0.00 C ATOM 1038 O ILE A 62 4.937 -4.248 -3.866 1.00 0.00 O ATOM 1039 CB ILE A 62 5.627 -6.897 -2.498 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.648 -7.400 -3.528 1.00 0.00 C ATOM 1041 CG2 ILE A 62 5.302 -7.950 -1.422 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.954 -7.807 -2.871 1.00 0.00 C ATOM 0 H ILE A 62 3.956 -8.388 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 62 3.734 -5.927 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 62 6.114 -6.048 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.232 -8.251 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.839 -6.618 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.227 -8.301 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.666 -7.504 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.782 -8.791 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.651 -8.157 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.384 -6.949 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.767 -8.607 -2.155 1.00 0.00 H new ATOM 1054 N ASN A 63 4.446 -5.680 -5.486 1.00 0.00 N ATOM 1055 CA ASN A 63 4.621 -4.662 -6.527 1.00 0.00 C ATOM 1056 C ASN A 63 3.389 -3.765 -6.544 1.00 0.00 C ATOM 1057 O ASN A 63 3.494 -2.579 -6.812 1.00 0.00 O ATOM 1058 CB ASN A 63 4.831 -5.269 -7.916 1.00 0.00 C ATOM 1059 CG ASN A 63 6.294 -5.448 -8.262 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.130 -4.582 -7.992 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.614 -6.557 -8.869 1.00 0.00 N ATOM 0 H ASN A 63 4.206 -6.611 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 63 5.519 -4.091 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.330 -6.236 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.361 -4.628 -8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.583 -6.731 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.895 -7.251 -9.076 1.00 0.00 H new ATOM 1068 N LEU A 64 2.227 -4.320 -6.238 1.00 0.00 N ATOM 1069 CA LEU A 64 1.002 -3.531 -6.133 1.00 0.00 C ATOM 1070 C LEU A 64 1.120 -2.657 -4.889 1.00 0.00 C ATOM 1071 O LEU A 64 0.847 -1.450 -4.930 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.213 -4.466 -6.053 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.632 -3.883 -5.923 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.972 -3.546 -4.470 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.864 -2.659 -6.815 1.00 0.00 C ATOM 0 H LEU A 64 2.103 -5.316 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 64 0.865 -2.897 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.200 -5.089 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.056 -5.128 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.304 -4.668 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.981 -3.137 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.915 -4.450 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.262 -2.810 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.882 -2.296 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.159 -1.873 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.716 -2.936 -7.859 1.00 0.00 H new ATOM 1087 N ALA A 65 1.556 -3.248 -3.783 1.00 0.00 N ATOM 1088 CA ALA A 65 1.756 -2.468 -2.560 1.00 0.00 C ATOM 1089 C ALA A 65 2.822 -1.375 -2.809 1.00 0.00 C ATOM 1090 O ALA A 65 2.736 -0.261 -2.300 1.00 0.00 O ATOM 1091 CB ALA A 65 2.167 -3.390 -1.422 1.00 0.00 C ATOM 0 H ALA A 65 1.775 -4.241 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 65 0.824 -1.978 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.315 -2.804 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.385 -4.130 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.096 -3.897 -1.682 1.00 0.00 H new ATOM 1097 N LYS A 66 3.819 -1.701 -3.619 1.00 0.00 N ATOM 1098 CA LYS A 66 4.865 -0.751 -4.019 1.00 0.00 C ATOM 1099 C LYS A 66 4.294 0.364 -4.886 1.00 0.00 C ATOM 1100 O LYS A 66 4.768 1.491 -4.809 1.00 0.00 O ATOM 1101 CB LYS A 66 5.957 -1.508 -4.773 1.00 0.00 C ATOM 1102 CG LYS A 66 7.124 -0.707 -5.284 1.00 0.00 C ATOM 1103 CD LYS A 66 7.989 -1.661 -6.086 1.00 0.00 C ATOM 1104 CE LYS A 66 9.180 -0.984 -6.715 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.906 -1.997 -7.551 1.00 0.00 N ATOM 0 H LYS A 66 3.932 -2.631 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 66 5.285 -0.287 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.344 -2.286 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.494 -2.010 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.783 0.121 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.688 -0.274 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.335 -2.464 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.385 -2.122 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.859 -0.143 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.840 -0.583 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.734 -1.551 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.219 -2.784 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.269 -2.359 -8.289 1.00 0.00 H new ATOM 1119 N GLN A 67 3.279 0.080 -5.696 1.00 0.00 N ATOM 1120 CA GLN A 67 2.638 1.141 -6.476 1.00 0.00 C ATOM 1121 C GLN A 67 1.981 2.070 -5.474 1.00 0.00 C ATOM 1122 O GLN A 67 2.205 3.273 -5.521 1.00 0.00 O ATOM 1123 CB GLN A 67 1.589 0.618 -7.463 1.00 0.00 C ATOM 1124 CG GLN A 67 2.162 -0.069 -8.689 1.00 0.00 C ATOM 1125 CD GLN A 67 1.083 -0.442 -9.684 1.00 0.00 C ATOM 1126 OE1 GLN A 67 0.003 -0.868 -9.314 1.00 0.00 O ATOM 1127 NE2 GLN A 67 1.370 -0.273 -10.949 1.00 0.00 N ATOM 0 H GLN A 67 2.887 -0.852 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 67 3.391 1.642 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.936 -0.083 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.967 1.452 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.886 0.589 -9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.700 -0.966 -8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.285 0.086 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.679 -0.500 -11.664 1.00 0.00 H new ATOM 1136 N GLU A 68 1.194 1.525 -4.551 1.00 0.00 N ATOM 1137 CA GLU A 68 0.617 2.347 -3.486 1.00 0.00 C ATOM 1138 C GLU A 68 1.714 3.143 -2.746 1.00 0.00 C ATOM 1139 O GLU A 68 1.579 4.344 -2.539 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.166 1.471 -2.501 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.146 2.263 -1.660 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.955 1.397 -0.699 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.319 1.899 0.391 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.234 0.228 -1.032 1.00 0.00 O ATOM 0 H GLU A 68 0.943 0.537 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.069 3.061 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.707 0.704 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.535 0.955 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.600 3.014 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.830 2.798 -2.319 1.00 0.00 H new ATOM 1151 N ALA A 69 2.806 2.488 -2.372 1.00 0.00 N ATOM 1152 CA ALA A 69 3.910 3.161 -1.676 1.00 0.00 C ATOM 1153 C ALA A 69 4.533 4.315 -2.491 1.00 0.00 C ATOM 1154 O ALA A 69 4.845 5.376 -1.942 1.00 0.00 O ATOM 1155 CB ALA A 69 4.988 2.136 -1.309 1.00 0.00 C ATOM 0 H ALA A 69 2.956 1.493 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 69 3.490 3.610 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.806 2.638 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.560 1.375 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.366 1.665 -2.216 1.00 0.00 H new ATOM 1161 N GLN A 70 4.722 4.117 -3.790 1.00 0.00 N ATOM 1162 CA GLN A 70 5.297 5.160 -4.645 1.00 0.00 C ATOM 1163 C GLN A 70 4.357 6.354 -4.666 1.00 0.00 C ATOM 1164 O GLN A 70 4.790 7.512 -4.588 1.00 0.00 O ATOM 1165 CB GLN A 70 5.501 4.656 -6.077 1.00 0.00 C ATOM 1166 CG GLN A 70 6.206 5.680 -6.977 1.00 0.00 C ATOM 1167 CD GLN A 70 6.300 5.229 -8.415 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.726 4.117 -8.703 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.917 6.086 -9.323 1.00 0.00 N ATOM 0 H GLN A 70 4.489 3.251 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 70 6.269 5.442 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.087 3.737 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.532 4.406 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.668 6.627 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.209 5.865 -6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.568 7.003 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.967 5.838 -10.311 1.00 0.00 H new ATOM 1178 N ARG A 71 3.066 6.071 -4.758 1.00 0.00 N ATOM 1179 CA ARG A 71 2.067 7.129 -4.759 1.00 0.00 C ATOM 1180 C ARG A 71 2.168 7.891 -3.452 1.00 0.00 C ATOM 1181 O ARG A 71 2.143 9.097 -3.454 1.00 0.00 O ATOM 1182 CB ARG A 71 0.660 6.553 -4.922 1.00 0.00 C ATOM 1183 CG ARG A 71 0.384 5.920 -6.275 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.998 5.280 -6.287 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.450 5.027 -7.661 1.00 0.00 N ATOM 1186 CZ ARG A 71 -1.694 3.848 -8.211 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.536 2.718 -7.566 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.111 3.815 -9.446 1.00 0.00 N ATOM 0 H ARG A 71 2.688 5.127 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 71 2.253 7.798 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.497 5.805 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.065 7.349 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.449 6.676 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.142 5.168 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.973 4.343 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.709 5.933 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.591 5.845 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.212 2.724 -6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.737 1.833 -8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.242 4.684 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.307 2.920 -9.894 1.00 0.00 H new ATOM 1202 N LEU A 72 2.304 7.192 -2.335 1.00 0.00 N ATOM 1203 CA LEU A 72 2.384 7.834 -1.028 1.00 0.00 C ATOM 1204 C LEU A 72 3.668 8.663 -0.915 1.00 0.00 C ATOM 1205 O LEU A 72 3.681 9.725 -0.300 1.00 0.00 O ATOM 1206 CB LEU A 72 2.248 6.767 0.053 1.00 0.00 C ATOM 1207 CG LEU A 72 0.787 6.261 0.107 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.711 4.845 0.616 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.083 7.171 0.975 1.00 0.00 C ATOM 0 H LEU A 72 2.362 6.174 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 72 1.565 8.541 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.923 5.937 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.537 7.177 1.021 1.00 0.00 H new ATOM 0 HG LEU A 72 0.406 6.282 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.330 4.523 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.278 4.190 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.130 4.797 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.104 6.789 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.314 7.194 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.080 8.180 0.561 1.00 0.00 H new ATOM 1221 N LYS A 73 4.740 8.206 -1.548 1.00 0.00 N ATOM 1222 CA LYS A 73 5.985 8.986 -1.622 1.00 0.00 C ATOM 1223 C LYS A 73 5.768 10.264 -2.456 1.00 0.00 C ATOM 1224 O LYS A 73 6.213 11.353 -2.067 1.00 0.00 O ATOM 1225 CB LYS A 73 7.105 8.095 -2.207 1.00 0.00 C ATOM 1226 CG LYS A 73 8.361 8.809 -2.737 1.00 0.00 C ATOM 1227 CD LYS A 73 8.242 9.082 -4.242 1.00 0.00 C ATOM 1228 CE LYS A 73 9.520 9.612 -4.848 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.182 10.486 -6.023 1.00 0.00 N ATOM 0 H LYS A 73 4.781 7.302 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 73 6.287 9.304 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.416 7.391 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.680 7.508 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.502 9.749 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.241 8.196 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.959 8.161 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.440 9.800 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.081 10.180 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.157 8.786 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.993 10.523 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.357 10.095 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.962 11.446 -5.690 1.00 0.00 H new ATOM 1243 N GLU A 74 5.085 10.156 -3.586 1.00 0.00 N ATOM 1244 CA GLU A 74 4.858 11.337 -4.432 1.00 0.00 C ATOM 1245 C GLU A 74 3.841 12.277 -3.789 1.00 0.00 C ATOM 1246 O GLU A 74 3.917 13.489 -3.950 1.00 0.00 O ATOM 1247 CB GLU A 74 4.428 10.929 -5.845 1.00 0.00 C ATOM 1248 CG GLU A 74 5.596 10.336 -6.635 1.00 0.00 C ATOM 1249 CD GLU A 74 5.293 10.103 -8.107 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.949 11.075 -8.820 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.430 8.939 -8.554 1.00 0.00 O ATOM 0 H GLU A 74 4.683 9.288 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 74 5.801 11.877 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.620 10.200 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.034 11.798 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.453 11.004 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.885 9.389 -6.180 1.00 0.00 H new ATOM 1258 N LEU A 75 2.909 11.719 -3.035 1.00 0.00 N ATOM 1259 CA LEU A 75 1.930 12.512 -2.294 1.00 0.00 C ATOM 1260 C LEU A 75 2.636 13.273 -1.179 1.00 0.00 C ATOM 1261 O LEU A 75 2.329 14.430 -0.920 1.00 0.00 O ATOM 1262 CB LEU A 75 0.868 11.599 -1.680 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.424 11.286 -2.457 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -0.282 11.342 -3.962 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -0.921 9.909 -2.050 1.00 0.00 C ATOM 0 H LEU A 75 2.806 10.711 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 75 1.450 13.212 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.350 10.647 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.574 12.039 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.136 12.069 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.240 11.108 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.032 12.342 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.464 10.616 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.836 9.677 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.161 9.164 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.123 9.897 -0.979 1.00 0.00 H new ATOM 1277 N ARG A 76 3.602 12.631 -0.533 1.00 0.00 N ATOM 1278 CA ARG A 76 4.423 13.297 0.486 1.00 0.00 C ATOM 1279 C ARG A 76 5.140 14.467 -0.169 1.00 0.00 C ATOM 1280 O ARG A 76 5.316 15.515 0.433 1.00 0.00 O ATOM 1281 CB ARG A 76 5.453 12.310 1.056 1.00 0.00 C ATOM 1282 CG ARG A 76 6.542 12.941 1.927 1.00 0.00 C ATOM 1283 CD ARG A 76 7.737 12.025 2.044 1.00 0.00 C ATOM 1284 NE ARG A 76 8.526 11.928 0.800 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.608 11.171 0.647 1.00 0.00 C ATOM 1286 NH1 ARG A 76 10.071 10.419 1.616 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.246 11.166 -0.487 1.00 0.00 N ATOM 0 H ARG A 76 3.840 11.652 -0.692 1.00 0.00 H new ATOM 0 HA ARG A 76 3.792 13.650 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.927 11.560 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.930 11.787 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.850 13.894 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.143 13.153 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.382 12.382 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.396 11.029 2.328 1.00 0.00 H new ATOM 0 HE ARG A 76 8.219 12.482 0.000 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.598 10.403 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.904 9.850 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.916 11.744 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.076 10.585 -0.603 1.00 0.00 H new ATOM 1301 N GLU A 77 5.552 14.281 -1.412 1.00 0.00 N ATOM 1302 CA GLU A 77 6.244 15.339 -2.154 1.00 0.00 C ATOM 1303 C GLU A 77 5.266 16.390 -2.731 1.00 0.00 C ATOM 1304 O GLU A 77 5.677 17.309 -3.445 1.00 0.00 O ATOM 1305 CB GLU A 77 7.122 14.692 -3.232 1.00 0.00 C ATOM 1306 CG GLU A 77 8.318 13.959 -2.594 1.00 0.00 C ATOM 1307 CD GLU A 77 9.040 13.003 -3.529 1.00 0.00 C ATOM 1308 OE1 GLU A 77 10.000 12.356 -3.048 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.675 12.869 -4.715 1.00 0.00 O ATOM 0 H GLU A 77 5.423 13.413 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 77 6.883 15.897 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.529 13.989 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.483 15.456 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.030 14.700 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.966 13.402 -1.726 1.00 0.00 H new ATOM 1316 N GLY A 78 3.985 16.265 -2.394 1.00 0.00 N ATOM 1317 CA GLY A 78 2.980 17.247 -2.785 1.00 0.00 C ATOM 1318 C GLY A 78 2.883 18.347 -1.738 1.00 0.00 C ATOM 1319 O GLY A 78 3.595 18.320 -0.737 1.00 0.00 O ATOM 0 H GLY A 78 3.617 15.487 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.239 17.678 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.012 16.760 -2.902 1.00 0.00 H new ATOM 1323 N THR A 79 2.020 19.335 -1.944 1.00 0.00 N ATOM 1324 CA THR A 79 1.927 20.466 -1.012 1.00 0.00 C ATOM 1325 C THR A 79 0.490 21.008 -0.946 1.00 0.00 C ATOM 1326 O THR A 79 -0.408 20.434 -1.539 1.00 0.00 O ATOM 1327 CB THR A 79 2.967 21.573 -1.402 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.114 22.509 -0.328 1.00 0.00 O ATOM 1329 CG2 THR A 79 2.571 22.327 -2.664 1.00 0.00 C ATOM 0 H THR A 79 1.379 19.382 -2.736 1.00 0.00 H new ATOM 0 HA THR A 79 2.176 20.122 -0.008 1.00 0.00 H new ATOM 0 HB THR A 79 3.911 21.064 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.766 23.196 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.325 23.081 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.497 21.628 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.607 22.812 -2.511 1.00 0.00 H new ATOM 1337 N GLU A 80 0.288 22.099 -0.214 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.043 22.692 0.011 1.00 0.00 C ATOM 1339 C GLU A 80 -1.773 23.124 -1.275 1.00 0.00 C ATOM 1340 O GLU A 80 -2.994 23.243 -1.293 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.890 23.893 0.956 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.210 24.467 1.480 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.013 25.420 2.650 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.418 25.011 3.673 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.464 26.585 2.567 1.00 0.00 O ATOM 0 H GLU A 80 1.043 22.607 0.247 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.667 21.913 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.277 23.593 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.348 24.682 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.720 24.991 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.860 23.648 1.789 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.035 23.341 -2.353 1.00 0.00 N ATOM 1353 CA ASN A 81 -1.647 23.675 -3.635 1.00 0.00 C ATOM 1354 C ASN A 81 -0.982 22.859 -4.723 1.00 0.00 C ATOM 1355 O ASN A 81 0.225 22.951 -4.931 1.00 0.00 O ATOM 1356 CB ASN A 81 -1.539 25.166 -3.947 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.372 25.561 -5.148 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -2.168 25.080 -6.257 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -3.319 26.430 -4.933 1.00 0.00 N ATOM 0 H ASN A 81 -0.016 23.293 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.709 23.437 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.861 25.741 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.496 25.422 -4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.919 26.731 -5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.460 26.809 -3.997 1.00 0.00 H new ATOM 1366 N GLU A 82 -1.793 22.061 -5.394 1.00 0.00 N ATOM 1367 CA GLU A 82 -1.341 21.158 -6.444 1.00 0.00 C ATOM 1368 C GLU A 82 -0.574 21.852 -7.568 1.00 0.00 C ATOM 1369 O GLU A 82 0.489 21.392 -7.996 1.00 0.00 O ATOM 1370 CB GLU A 82 -2.579 20.499 -7.075 1.00 0.00 C ATOM 1371 CG GLU A 82 -3.478 19.707 -6.117 1.00 0.00 C ATOM 1372 CD GLU A 82 -2.888 18.367 -5.719 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -3.466 17.323 -6.102 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -1.853 18.355 -5.017 1.00 0.00 O ATOM 0 H GLU A 82 -2.798 22.019 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.664 20.445 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.180 21.277 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.246 19.829 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.655 20.300 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.447 19.545 -6.588 1.00 0.00 H new ATOM 1381 N ARG A 83 -1.144 22.955 -8.053 1.00 0.00 N ATOM 1382 CA ARG A 83 -0.667 23.668 -9.255 1.00 0.00 C ATOM 1383 C ARG A 83 -0.677 22.745 -10.497 1.00 0.00 C ATOM 1384 O ARG A 83 -0.756 21.523 -10.403 1.00 0.00 O ATOM 1385 CB ARG A 83 0.709 24.322 -9.015 1.00 0.00 C ATOM 1386 CG ARG A 83 0.694 25.287 -7.824 1.00 0.00 C ATOM 1387 CD ARG A 83 1.965 26.120 -7.705 1.00 0.00 C ATOM 1388 NE ARG A 83 1.868 27.031 -6.547 1.00 0.00 N ATOM 1389 CZ ARG A 83 2.706 28.026 -6.266 1.00 0.00 C ATOM 1390 NH1 ARG A 83 3.747 28.299 -7.013 1.00 0.00 N ATOM 1391 NH2 ARG A 83 2.479 28.765 -5.214 1.00 0.00 N ATOM 0 H ARG A 83 -1.960 23.390 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.364 24.480 -9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.453 23.545 -8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.015 24.860 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.162 25.955 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.554 24.717 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.829 25.465 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.119 26.695 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 83 1.089 26.885 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.939 27.740 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.366 29.071 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.670 28.575 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.111 29.532 -4.983 1.00 0.00 H new ATOM 1405 N SER A 84 -0.615 23.345 -11.678 1.00 0.00 N ATOM 1406 CA SER A 84 -0.724 22.584 -12.933 1.00 0.00 C ATOM 1407 C SER A 84 0.234 21.395 -13.039 1.00 0.00 C ATOM 1408 O SER A 84 -0.081 20.410 -13.696 1.00 0.00 O ATOM 1409 CB SER A 84 -0.500 23.507 -14.131 1.00 0.00 C ATOM 1410 OG SER A 84 -0.791 22.836 -15.345 1.00 0.00 O ATOM 0 H SER A 84 -0.491 24.350 -11.802 1.00 0.00 H new ATOM 0 HA SER A 84 -1.734 22.174 -12.933 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.132 24.390 -14.038 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.533 23.854 -14.141 1.00 0.00 H new ATOM 0 HG SER A 84 -0.643 23.444 -16.099 1.00 0.00 H new ATOM 1416 N ARG A 85 1.389 21.480 -12.391 1.00 0.00 N ATOM 1417 CA ARG A 85 2.355 20.381 -12.413 1.00 0.00 C ATOM 1418 C ARG A 85 1.845 19.159 -11.655 1.00 0.00 C ATOM 1419 O ARG A 85 2.085 18.035 -12.076 1.00 0.00 O ATOM 1420 CB ARG A 85 3.679 20.822 -11.774 1.00 0.00 C ATOM 1421 CG ARG A 85 4.832 19.831 -12.000 1.00 0.00 C ATOM 1422 CD ARG A 85 6.029 20.160 -11.117 1.00 0.00 C ATOM 1423 NE ARG A 85 7.219 19.366 -11.478 1.00 0.00 N ATOM 1424 CZ ARG A 85 7.507 18.146 -11.027 1.00 0.00 C ATOM 1425 NH1 ARG A 85 6.737 17.487 -10.204 1.00 0.00 N ATOM 1426 NH2 ARG A 85 8.612 17.576 -11.420 1.00 0.00 N ATOM 0 H ARG A 85 1.681 22.291 -11.846 1.00 0.00 H new ATOM 0 HA ARG A 85 2.504 20.113 -13.459 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.962 21.794 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.529 20.954 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.490 18.818 -11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.133 19.854 -13.047 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.262 21.221 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.772 19.974 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 85 7.879 19.788 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.866 17.905 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.006 16.555 -9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.238 18.064 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.851 16.642 -11.086 1.00 0.00 H new ATOM 1440 N GLN A 86 1.168 19.375 -10.535 1.00 0.00 N ATOM 1441 CA GLN A 86 0.797 18.265 -9.658 1.00 0.00 C ATOM 1442 C GLN A 86 -0.706 18.173 -9.464 1.00 0.00 C ATOM 1443 O GLN A 86 -1.176 17.739 -8.426 1.00 0.00 O ATOM 1444 CB GLN A 86 1.519 18.415 -8.310 1.00 0.00 C ATOM 1445 CG GLN A 86 2.178 17.132 -7.814 1.00 0.00 C ATOM 1446 CD GLN A 86 3.395 16.740 -8.633 1.00 0.00 C ATOM 1447 OE1 GLN A 86 4.079 17.585 -9.214 1.00 0.00 O ATOM 1448 NE2 GLN A 86 3.680 15.465 -8.677 1.00 0.00 N ATOM 0 H GLN A 86 0.866 20.294 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 86 1.108 17.334 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.280 19.190 -8.401 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.803 18.757 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.473 17.260 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.450 16.321 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.091 14.794 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.491 15.142 -9.204 1.00 0.00 H new ATOM 1457 N LYS A 87 -1.456 18.572 -10.489 1.00 0.00 N ATOM 1458 CA LYS A 87 -2.932 18.565 -10.455 1.00 0.00 C ATOM 1459 C LYS A 87 -3.528 17.207 -10.102 1.00 0.00 C ATOM 1460 O LYS A 87 -4.704 17.103 -9.789 1.00 0.00 O ATOM 1461 CB LYS A 87 -3.496 19.021 -11.821 1.00 0.00 C ATOM 1462 CG LYS A 87 -3.336 17.989 -12.983 1.00 0.00 C ATOM 1463 CD LYS A 87 -4.593 17.085 -13.159 1.00 0.00 C ATOM 1464 CE LYS A 87 -4.310 15.880 -14.063 1.00 0.00 C ATOM 1465 NZ LYS A 87 -5.393 14.823 -13.953 1.00 0.00 N ATOM 0 H LYS A 87 -1.067 18.910 -11.369 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.218 19.258 -9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.555 19.248 -11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.001 19.949 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.144 18.522 -13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.466 17.362 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.928 16.735 -12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.407 17.673 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.232 16.213 -15.098 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.348 15.443 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.351 14.196 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.246 14.265 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.325 15.283 -13.914 1.00 0.00 H new ATOM 1479 N TYR A 88 -2.709 16.175 -10.197 1.00 0.00 N ATOM 1480 CA TYR A 88 -3.147 14.814 -10.013 1.00 0.00 C ATOM 1481 C TYR A 88 -2.782 14.212 -8.662 1.00 0.00 C ATOM 1482 O TYR A 88 -3.042 13.060 -8.461 1.00 0.00 O ATOM 1483 CB TYR A 88 -2.520 13.945 -11.113 1.00 0.00 C ATOM 1484 CG TYR A 88 -1.042 13.651 -10.893 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -0.037 14.586 -11.241 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -0.643 12.424 -10.332 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.343 14.289 -11.011 1.00 0.00 C ATOM 1488 CE2 TYR A 88 0.721 12.129 -10.103 1.00 0.00 C ATOM 1489 CZ TYR A 88 1.700 13.053 -10.439 1.00 0.00 C ATOM 1490 OH TYR A 88 3.012 12.723 -10.199 1.00 0.00 O ATOM 0 H TYR A 88 -1.715 16.265 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.236 14.833 -10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.064 13.002 -11.173 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.643 14.446 -12.073 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.315 15.531 -11.684 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.394 11.693 -10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.105 15.007 -11.274 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.001 11.182 -9.666 1.00 0.00 H new ATOM 0 HH TYR A 88 3.051 11.973 -9.569 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.175 14.940 -7.735 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.742 14.286 -6.494 1.00 0.00 C ATOM 1502 C ALA A 89 -2.933 13.731 -5.688 1.00 0.00 C ATOM 1503 O ALA A 89 -2.938 12.571 -5.309 1.00 0.00 O ATOM 1504 CB ALA A 89 -0.895 15.231 -5.638 1.00 0.00 C ATOM 0 H ALA A 89 -1.975 15.938 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.121 13.437 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.589 14.719 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.011 15.535 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.482 16.113 -5.380 1.00 0.00 H new ATOM 1510 N GLU A 90 -3.951 14.536 -5.435 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.118 14.033 -4.696 1.00 0.00 C ATOM 1512 C GLU A 90 -5.900 13.010 -5.538 1.00 0.00 C ATOM 1513 O GLU A 90 -6.600 12.150 -5.007 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.008 15.186 -4.239 1.00 0.00 C ATOM 1515 CG GLU A 90 -5.416 15.954 -3.040 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.279 15.078 -1.785 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.311 14.573 -1.295 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.139 14.900 -1.278 1.00 0.00 O ATOM 0 H GLU A 90 -4.004 15.515 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.764 13.518 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.157 15.876 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.989 14.797 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.436 16.347 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.051 16.811 -2.813 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.749 13.073 -6.853 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.339 12.066 -7.739 1.00 0.00 C ATOM 1527 C GLU A 91 -5.541 10.768 -7.541 1.00 0.00 C ATOM 1528 O GLU A 91 -6.080 9.672 -7.563 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.244 12.529 -9.200 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.826 11.573 -10.228 1.00 0.00 C ATOM 1531 CD GLU A 91 -6.129 11.717 -11.573 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -6.109 12.850 -12.131 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -5.588 10.708 -12.075 1.00 0.00 O ATOM 0 H GLU A 91 -5.226 13.805 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.393 11.912 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.753 13.488 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.195 12.700 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.726 10.548 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.892 11.767 -10.346 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.244 10.900 -7.330 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.375 9.753 -7.135 1.00 0.00 C ATOM 1542 C GLU A 92 -3.653 9.154 -5.755 1.00 0.00 C ATOM 1543 O GLU A 92 -3.389 7.989 -5.509 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.913 10.178 -7.304 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.977 9.053 -7.623 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.182 8.506 -9.030 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -0.961 9.241 -10.008 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.560 7.323 -9.149 1.00 0.00 O ATOM 0 H GLU A 92 -3.765 11.800 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.573 8.985 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.853 10.922 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.580 10.664 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.051 9.399 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.119 8.250 -6.900 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.230 9.947 -4.859 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.672 9.442 -3.558 1.00 0.00 C ATOM 1557 C LEU A 93 -5.947 8.613 -3.772 1.00 0.00 C ATOM 1558 O LEU A 93 -6.171 7.607 -3.093 1.00 0.00 O ATOM 1559 CB LEU A 93 -4.919 10.594 -2.575 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.308 10.200 -1.138 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.220 9.413 -0.407 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -5.624 11.466 -0.352 1.00 0.00 C ATOM 0 H LEU A 93 -4.404 10.941 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.895 8.815 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.016 11.203 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.709 11.226 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.176 9.544 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.561 9.169 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.008 8.493 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.314 10.016 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.901 11.201 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.746 12.111 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.451 11.993 -0.828 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.772 8.999 -4.736 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.930 8.171 -5.095 1.00 0.00 C ATOM 1576 C GLU A 94 -7.362 6.858 -5.644 1.00 0.00 C ATOM 1577 O GLU A 94 -7.867 5.784 -5.361 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.828 8.854 -6.138 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.189 8.173 -6.329 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.169 8.522 -5.219 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.660 9.673 -5.194 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.444 7.659 -4.352 1.00 0.00 O ATOM 0 H GLU A 94 -6.671 9.858 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.563 8.004 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.990 9.890 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.306 8.875 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.610 8.470 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.051 7.092 -6.362 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.281 6.944 -6.406 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.630 5.743 -6.936 1.00 0.00 C ATOM 1591 C GLN A 95 -4.903 4.932 -5.834 1.00 0.00 C ATOM 1592 O GLN A 95 -4.673 3.734 -5.993 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.683 6.106 -8.080 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.397 6.740 -9.286 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.471 6.948 -10.470 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -3.805 6.015 -10.916 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -4.429 8.156 -10.990 1.00 0.00 N ATOM 0 H GLN A 95 -5.835 7.822 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.413 5.095 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.927 6.798 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.160 5.208 -8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.228 6.103 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.822 7.699 -8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.997 8.903 -10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.828 8.345 -11.792 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.575 5.558 -4.708 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.051 4.830 -3.540 1.00 0.00 C ATOM 1608 C VAL A 96 -5.214 4.006 -3.002 1.00 0.00 C ATOM 1609 O VAL A 96 -5.056 2.835 -2.649 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.510 5.801 -2.417 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.516 5.147 -1.022 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.113 6.274 -2.753 1.00 0.00 C ATOM 0 H VAL A 96 -4.660 6.565 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.204 4.211 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.188 6.654 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.135 5.855 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.534 4.862 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.883 4.260 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.756 6.942 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.446 5.415 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.128 6.807 -3.704 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.398 4.606 -2.959 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.583 3.877 -2.489 1.00 0.00 C ATOM 1624 C ARG A 97 -7.880 2.717 -3.440 1.00 0.00 C ATOM 1625 O ARG A 97 -8.328 1.673 -2.998 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.798 4.805 -2.362 1.00 0.00 C ATOM 1627 CG ARG A 97 -8.581 5.975 -1.394 1.00 0.00 C ATOM 1628 CD ARG A 97 -9.535 7.115 -1.706 1.00 0.00 C ATOM 1629 NE ARG A 97 -8.946 8.426 -1.380 1.00 0.00 N ATOM 1630 CZ ARG A 97 -9.437 9.601 -1.764 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -10.512 9.704 -2.492 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -8.822 10.697 -1.423 1.00 0.00 N ATOM 0 H ARG A 97 -6.568 5.573 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.376 3.481 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.046 5.201 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.656 4.222 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.733 5.638 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.552 6.326 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.800 7.088 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.458 6.981 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.096 8.433 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.010 8.864 -2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.856 10.624 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.969 10.651 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.193 11.602 -1.714 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.615 2.886 -4.730 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.784 1.789 -5.698 1.00 0.00 C ATOM 1648 C GLU A 98 -6.791 0.659 -5.396 1.00 0.00 C ATOM 1649 O GLU A 98 -7.172 -0.511 -5.359 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.550 2.269 -7.142 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.604 3.229 -7.693 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.980 2.599 -7.772 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.958 3.235 -7.334 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.096 1.454 -8.257 1.00 0.00 O ATOM 0 H GLU A 98 -7.284 3.762 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.809 1.430 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.577 2.758 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.502 1.396 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.650 4.115 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.303 3.562 -8.686 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.527 1.013 -5.172 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.480 0.036 -4.840 1.00 0.00 C ATOM 1663 C ALA A 99 -4.896 -0.745 -3.586 1.00 0.00 C ATOM 1664 O ALA A 99 -4.902 -1.990 -3.566 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.155 0.752 -4.612 1.00 0.00 C ATOM 0 H ALA A 99 -5.196 1.977 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.353 -0.663 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.384 0.021 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.871 1.289 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.260 1.459 -3.789 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.260 -0.005 -2.548 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.651 -0.614 -1.287 1.00 0.00 C ATOM 1673 C LEU A 100 -6.863 -1.520 -1.479 1.00 0.00 C ATOM 1674 O LEU A 100 -6.882 -2.642 -0.988 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.925 0.485 -0.244 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.049 0.108 1.248 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -7.383 -0.569 1.596 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.881 -0.779 1.697 1.00 0.00 C ATOM 0 H LEU A 100 -5.292 1.014 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.836 -1.238 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.126 1.221 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.850 0.984 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.016 1.052 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.404 -0.807 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.206 0.105 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.487 -1.486 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.997 -1.027 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.873 -1.696 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.942 -0.245 1.551 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.872 -1.057 -2.206 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.075 -1.869 -2.428 1.00 0.00 C ATOM 1692 C ARG A 101 -8.760 -3.124 -3.228 1.00 0.00 C ATOM 1693 O ARG A 101 -9.375 -4.161 -3.021 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.157 -1.062 -3.142 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.567 -1.592 -2.872 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.604 -0.978 -3.809 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.501 0.493 -3.875 1.00 0.00 N ATOM 1698 CZ ARG A 101 -12.080 1.187 -4.929 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -11.724 0.611 -6.048 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -12.017 2.483 -4.856 1.00 0.00 N ATOM 0 H ARG A 101 -7.889 -0.138 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.445 -2.168 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.098 -0.021 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.967 -1.078 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.574 -2.676 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.842 -1.378 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.478 -1.394 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.603 -1.255 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.775 1.020 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.764 -0.405 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.406 1.177 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.289 2.959 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.695 3.024 -5.659 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.797 -3.052 -4.136 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.388 -4.240 -4.892 1.00 0.00 C ATOM 1716 C LYS A 102 -6.795 -5.247 -3.906 1.00 0.00 C ATOM 1717 O LYS A 102 -7.123 -6.430 -3.972 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.403 -3.857 -6.023 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.191 -4.794 -6.246 1.00 0.00 C ATOM 1720 CD LYS A 102 -5.522 -6.170 -6.842 1.00 0.00 C ATOM 1721 CE LYS A 102 -4.307 -7.095 -6.674 1.00 0.00 C ATOM 1722 NZ LYS A 102 -4.510 -8.461 -7.266 1.00 0.00 N ATOM 0 H LYS A 102 -7.287 -2.200 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.245 -4.699 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.964 -3.800 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.024 -2.856 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.482 -4.293 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.688 -4.942 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.392 -6.597 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.777 -6.072 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.439 -6.630 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.082 -7.197 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.648 -9.028 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.309 -8.929 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.713 -8.372 -8.282 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.945 -4.797 -2.993 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.350 -5.709 -2.009 1.00 0.00 C ATOM 1738 C ALA A 103 -6.435 -6.285 -1.082 1.00 0.00 C ATOM 1739 O ALA A 103 -6.467 -7.483 -0.788 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.291 -4.965 -1.192 1.00 0.00 C ATOM 0 H ALA A 103 -5.652 -3.824 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.877 -6.538 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.851 -5.644 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.512 -4.594 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.755 -4.126 -0.673 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.323 -5.410 -0.643 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.425 -5.765 0.245 1.00 0.00 C ATOM 1748 C GLU A 104 -9.321 -6.829 -0.397 1.00 0.00 C ATOM 1749 O GLU A 104 -9.633 -7.849 0.211 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.210 -4.482 0.534 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.236 -4.546 1.632 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.826 -3.161 1.888 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.647 -2.626 3.007 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -11.454 -2.595 0.960 1.00 0.00 O ATOM 0 H GLU A 104 -7.302 -4.422 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.046 -6.193 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.497 -3.696 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.713 -4.178 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.029 -5.241 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.779 -4.928 2.545 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.721 -6.604 -1.641 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.567 -7.567 -2.341 1.00 0.00 C ATOM 1763 C LYS A 105 -9.819 -8.871 -2.574 1.00 0.00 C ATOM 1764 O LYS A 105 -10.417 -9.940 -2.567 1.00 0.00 O ATOM 1765 CB LYS A 105 -11.046 -7.003 -3.681 1.00 0.00 C ATOM 1766 CG LYS A 105 -12.139 -7.861 -4.300 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.474 -7.454 -5.721 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.604 -8.333 -6.265 1.00 0.00 C ATOM 1769 NZ LYS A 105 -13.255 -9.806 -6.202 1.00 0.00 N ATOM 0 H LYS A 105 -9.478 -5.775 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.435 -7.762 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.419 -5.989 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.203 -6.937 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.824 -8.904 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.038 -7.794 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.773 -6.406 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.591 -7.550 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.513 -8.151 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.816 -8.054 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.925 -10.347 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.290 -9.950 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.310 -10.134 -5.217 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.517 -8.788 -2.794 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.721 -9.992 -3.000 1.00 0.00 C ATOM 1785 C GLU A 106 -7.700 -10.799 -1.703 1.00 0.00 C ATOM 1786 O GLU A 106 -7.819 -12.016 -1.733 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.298 -9.645 -3.445 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.479 -10.859 -3.838 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.898 -10.738 -5.229 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.658 -10.676 -5.366 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -5.682 -10.692 -6.211 1.00 0.00 O ATOM 0 H GLU A 106 -7.993 -7.914 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.172 -10.587 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.346 -8.959 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.790 -9.119 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.670 -10.996 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.106 -11.749 -3.785 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.575 -10.119 -0.569 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.607 -10.799 0.729 1.00 0.00 C ATOM 1800 C LEU A 107 -8.965 -11.471 0.949 1.00 0.00 C ATOM 1801 O LEU A 107 -9.045 -12.632 1.393 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.345 -9.790 1.852 1.00 0.00 C ATOM 1803 CG LEU A 107 -7.423 -10.339 3.285 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -6.404 -11.448 3.516 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -7.192 -9.195 4.269 1.00 0.00 C ATOM 0 H LEU A 107 -7.452 -9.108 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.830 -11.564 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.355 -9.360 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.064 -8.976 1.757 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.412 -10.769 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.488 -11.812 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.594 -12.267 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.399 -11.059 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.246 -9.576 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.208 -8.759 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.957 -8.432 4.126 1.00 0.00 H new ATOM 1817 N GLU A 108 -10.032 -10.755 0.625 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.378 -11.312 0.760 1.00 0.00 C ATOM 1819 C GLU A 108 -11.479 -12.579 -0.088 1.00 0.00 C ATOM 1820 O GLU A 108 -11.962 -13.602 0.372 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.438 -10.298 0.311 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.610 -9.112 1.257 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.199 -9.517 2.598 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.352 -9.999 2.617 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -12.517 -9.344 3.630 1.00 0.00 O ATOM 0 H GLU A 108 -9.998 -9.799 0.271 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.560 -11.549 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.171 -9.924 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.395 -10.810 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.642 -8.636 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.256 -8.369 0.789 1.00 0.00 H new ATOM 1832 N SER A 109 -11.005 -12.524 -1.325 1.00 0.00 N ATOM 1833 CA SER A 109 -11.073 -13.680 -2.224 1.00 0.00 C ATOM 1834 C SER A 109 -10.177 -14.831 -1.751 1.00 0.00 C ATOM 1835 O SER A 109 -10.459 -16.003 -2.021 1.00 0.00 O ATOM 1836 CB SER A 109 -10.691 -13.253 -3.640 1.00 0.00 C ATOM 1837 OG SER A 109 -9.356 -12.787 -3.704 1.00 0.00 O ATOM 0 H SER A 109 -10.570 -11.697 -1.733 1.00 0.00 H new ATOM 0 HA SER A 109 -12.098 -14.050 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.815 -14.096 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.367 -12.468 -3.978 1.00 0.00 H new ATOM 0 HG SER A 109 -8.972 -12.768 -2.802 1.00 0.00 H new ATOM 1843 N HIS A 110 -9.115 -14.509 -1.025 1.00 0.00 N ATOM 1844 CA HIS A 110 -8.217 -15.526 -0.481 1.00 0.00 C ATOM 1845 C HIS A 110 -8.832 -16.184 0.747 1.00 0.00 C ATOM 1846 O HIS A 110 -8.380 -17.241 1.171 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.875 -14.915 -0.057 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.977 -14.557 -1.198 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -6.265 -14.775 -2.522 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.741 -13.985 -1.198 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -5.239 -14.364 -3.244 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.279 -13.865 -2.492 1.00 0.00 N ATOM 0 H HIS A 110 -8.852 -13.550 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 110 -8.058 -16.261 -1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.067 -14.020 0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.356 -15.621 0.592 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.125 -15.185 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.203 -13.672 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.192 -14.429 -4.321 1.00 0.00 H new ATOM 1860 N SER A 111 -9.863 -15.575 1.310 1.00 0.00 N ATOM 1861 CA SER A 111 -10.536 -16.144 2.479 1.00 0.00 C ATOM 1862 C SER A 111 -11.965 -16.641 2.204 1.00 0.00 C ATOM 1863 O SER A 111 -12.537 -17.354 3.017 1.00 0.00 O ATOM 1864 CB SER A 111 -10.588 -15.071 3.560 1.00 0.00 C ATOM 1865 OG SER A 111 -11.122 -13.871 3.024 1.00 0.00 O ATOM 0 H SER A 111 -10.254 -14.692 0.983 1.00 0.00 H new ATOM 0 HA SER A 111 -9.963 -17.020 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.202 -15.412 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.588 -14.890 3.954 1.00 0.00 H new ATOM 0 HG SER A 111 -10.430 -13.406 2.510 1.00 0.00 H new ATOM 1871 N SER A 112 -12.540 -16.254 1.072 1.00 0.00 N ATOM 1872 CA SER A 112 -13.944 -16.566 0.764 1.00 0.00 C ATOM 1873 C SER A 112 -14.363 -18.038 0.680 1.00 0.00 C ATOM 1874 O SER A 112 -15.367 -18.414 1.279 1.00 0.00 O ATOM 1875 CB SER A 112 -14.342 -15.913 -0.562 1.00 0.00 C ATOM 1876 OG SER A 112 -14.324 -14.499 -0.477 1.00 0.00 O ATOM 0 H SER A 112 -12.060 -15.722 0.346 1.00 0.00 H new ATOM 0 HA SER A 112 -14.461 -16.171 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.660 -16.239 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.339 -16.248 -0.847 1.00 0.00 H new ATOM 0 HG SER A 112 -13.445 -14.201 -0.161 1.00 0.00 H new ATOM 1882 N TRP A 113 -13.650 -18.866 -0.080 1.00 0.00 N ATOM 1883 CA TRP A 113 -14.097 -20.251 -0.286 1.00 0.00 C ATOM 1884 C TRP A 113 -13.016 -21.203 -0.785 1.00 0.00 C ATOM 1885 O TRP A 113 -12.121 -20.798 -1.530 1.00 0.00 O ATOM 1886 CB TRP A 113 -15.226 -20.257 -1.333 1.00 0.00 C ATOM 1887 CG TRP A 113 -16.031 -21.521 -1.313 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -15.875 -22.618 -2.102 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -17.132 -21.835 -0.437 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -16.775 -23.592 -1.788 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -17.572 -23.150 -0.770 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -17.786 -21.143 0.603 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -18.634 -23.786 -0.098 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -18.860 -21.778 1.283 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -19.270 -23.096 0.921 1.00 0.00 C ATOM 0 H TRP A 113 -12.782 -18.616 -0.554 1.00 0.00 H new ATOM 0 HA TRP A 113 -14.414 -20.606 0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -15.886 -19.408 -1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -14.796 -20.122 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -15.131 -22.706 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -16.843 -24.504 -2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -17.475 -20.146 0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -18.944 -24.784 -0.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -19.370 -21.259 2.081 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -20.088 -23.563 1.449 1.00 0.00 H new ATOM 1906 N TYR A 114 -13.133 -22.471 -0.404 1.00 0.00 N ATOM 1907 CA TYR A 114 -12.265 -23.537 -0.914 1.00 0.00 C ATOM 1908 C TYR A 114 -13.107 -24.706 -1.438 1.00 0.00 C ATOM 1909 O TYR A 114 -12.979 -25.098 -2.598 1.00 0.00 O ATOM 1910 CB TYR A 114 -11.307 -24.051 0.164 1.00 0.00 C ATOM 1911 CG TYR A 114 -10.751 -25.427 -0.165 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -10.119 -25.679 -1.405 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -10.872 -26.492 0.751 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -9.645 -26.973 -1.731 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -10.391 -27.790 0.427 1.00 0.00 C ATOM 1916 CZ TYR A 114 -9.793 -28.017 -0.814 1.00 0.00 C ATOM 1917 OH TYR A 114 -9.337 -29.270 -1.140 1.00 0.00 O ATOM 0 H TYR A 114 -13.831 -22.793 0.267 1.00 0.00 H new ATOM 0 HA TYR A 114 -11.675 -23.112 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.483 -23.347 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -11.828 -24.092 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.996 -24.873 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.336 -26.320 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -9.171 -27.152 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -10.488 -28.597 1.138 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.513 -29.885 -0.398 1.00 0.00 H new ATOM 1927 N ALA A 115 -13.958 -25.262 -0.586 1.00 0.00 N ATOM 1928 CA ALA A 115 -14.779 -26.411 -0.941 1.00 0.00 C ATOM 1929 C ALA A 115 -16.028 -26.322 -0.080 1.00 0.00 C ATOM 1930 O ALA A 115 -15.909 -25.710 1.001 1.00 0.00 O ATOM 1931 CB ALA A 115 -14.008 -27.714 -0.660 1.00 0.00 C ATOM 1932 OXT ALA A 115 -17.087 -26.842 -0.485 1.00 0.00 O ATOM 0 H ALA A 115 -14.098 -24.930 0.368 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.038 -26.413 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.629 -28.569 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.093 -27.730 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -13.756 -27.766 0.399 1.00 0.00 H new TER 1938 ALA A 115