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+ 173:sc= 1.08 (180deg=-0.226) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.711 K(o=1.8,f=-7.3!) USER MOD Set 2.1: A 79 THR OG1 : rot -55:sc= 0.626 USER MOD Set 2.2: A 86 GLN : amide:sc= 0.229 K(o=0.85,f=-3.8!) USER MOD Set 3.1: A 53 HIS : no HE2:sc= 0.879 K(o=0.88,f=-2.7!) USER MOD Set 3.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 0.977 K(o=1.6,f=-7.4!) USER MOD Set 4.2: A 34 GLN : amide:sc= 0.665 K(o=1.6,f=-2) USER MOD Set 5.1: A 13 MET CE :methyl 176:sc= 0 (180deg=-0.0102) USER MOD Set 5.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -76:sc= 1.22 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.791 (180deg=0.727) USER MOD Single : A 12 HIS : no HE2:sc= 0.308 K(o=0.31,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.769) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= 0.379 (180deg=0.0845) USER MOD Single : A 16 MET CE :methyl 151:sc= 0 (180deg=-0.42) USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 0.859 (180deg=-0.242) USER MOD Single : A 24 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -23:sc= 1.17 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0.527 (180deg=-0.463) USER MOD Single : A 41 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.6!) USER MOD Single : A 44 HIS : no HE2:sc= 0.0474 K(o=0.047,f=-1.2) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.0845 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.523) USER MOD Single : A 63 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.48) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 70 GLN : amide:sc= 0.894 K(o=0.89,f=-0.044) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 1.05 (180deg=1.04) USER MOD Single : A 81 ASN : amide:sc= 1.11 K(o=1.1,f=-8.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.882) USER MOD Single : A 88 TYR OH : rot 180:sc= 0.687 USER MOD Single : A 95 GLN : amide:sc= 0.323 K(o=0.32,f=-2!) USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= 0.395 (180deg=0.0403) USER MOD Single : A 105 LYS NZ :NH3+ 141:sc= 1.04 (180deg=-0.496!) USER MOD Single : A 109 SER OG : rot -47:sc= 1.23 USER MOD Single : A 111 SER OG : rot -16:sc= 1.05 USER MOD Single : A 112 SER OG : rot 55:sc= 1.27 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.886 38.658 1.322 1.00 0.00 N ATOM 2 CA GLY A 1 8.290 37.982 2.497 1.00 0.00 C ATOM 3 C GLY A 1 8.972 36.673 2.776 1.00 0.00 C ATOM 4 O GLY A 1 10.022 36.423 2.204 1.00 0.00 O ATOM 0 H1 GLY A 1 9.125 39.639 1.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.749 38.155 1.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.204 38.656 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.369 38.629 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.228 37.811 2.321 1.00 0.00 H new ATOM 10 N SER A 2 8.395 35.836 3.627 1.00 0.00 N ATOM 11 CA SER A 2 8.974 34.527 3.918 1.00 0.00 C ATOM 12 C SER A 2 8.933 33.664 2.654 1.00 0.00 C ATOM 13 O SER A 2 8.051 33.851 1.817 1.00 0.00 O ATOM 14 CB SER A 2 8.164 33.841 5.016 1.00 0.00 C ATOM 15 OG SER A 2 8.044 34.689 6.144 1.00 0.00 O ATOM 0 H SER A 2 7.529 36.037 4.128 1.00 0.00 H new ATOM 0 HA SER A 2 10.005 34.653 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.174 33.584 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.648 32.908 5.304 1.00 0.00 H new ATOM 0 HG SER A 2 7.521 34.237 6.839 1.00 0.00 H new ATOM 21 N PRO A 3 9.872 32.708 2.504 1.00 0.00 N ATOM 22 CA PRO A 3 9.790 31.844 1.319 1.00 0.00 C ATOM 23 C PRO A 3 8.510 31.020 1.287 1.00 0.00 C ATOM 24 O PRO A 3 7.908 30.758 2.328 1.00 0.00 O ATOM 25 CB PRO A 3 11.001 30.913 1.483 1.00 0.00 C ATOM 26 CG PRO A 3 11.923 31.644 2.390 1.00 0.00 C ATOM 27 CD PRO A 3 11.017 32.336 3.356 1.00 0.00 C ATOM 0 HA PRO A 3 9.786 32.423 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.707 29.953 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.473 30.705 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.603 30.962 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.539 32.357 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.719 31.681 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.491 33.209 3.804 1.00 0.00 H new ATOM 35 N GLU A 4 8.106 30.587 0.102 1.00 0.00 N ATOM 36 CA GLU A 4 6.895 29.776 -0.052 1.00 0.00 C ATOM 37 C GLU A 4 7.000 28.479 0.751 1.00 0.00 C ATOM 38 O GLU A 4 6.011 27.966 1.261 1.00 0.00 O ATOM 39 CB GLU A 4 6.664 29.461 -1.532 1.00 0.00 C ATOM 40 CG GLU A 4 6.476 30.712 -2.387 1.00 0.00 C ATOM 41 CD GLU A 4 5.314 31.566 -1.904 1.00 0.00 C ATOM 42 OE1 GLU A 4 5.540 32.717 -1.485 1.00 0.00 O ATOM 43 OE2 GLU A 4 4.170 31.081 -1.933 1.00 0.00 O ATOM 0 H GLU A 4 8.596 30.781 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 4 6.048 30.346 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.512 28.892 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.784 28.826 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.392 31.303 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.305 30.420 -3.423 1.00 0.00 H new ATOM 50 N PHE A 5 8.216 27.970 0.889 1.00 0.00 N ATOM 51 CA PHE A 5 8.455 26.761 1.675 1.00 0.00 C ATOM 52 C PHE A 5 8.073 26.973 3.139 1.00 0.00 C ATOM 53 O PHE A 5 7.639 26.053 3.806 1.00 0.00 O ATOM 54 CB PHE A 5 9.928 26.364 1.581 1.00 0.00 C ATOM 55 CG PHE A 5 10.403 26.159 0.171 1.00 0.00 C ATOM 56 CD1 PHE A 5 11.233 27.113 -0.452 1.00 0.00 C ATOM 57 CD2 PHE A 5 10.021 25.010 -0.549 1.00 0.00 C ATOM 58 CE1 PHE A 5 11.674 26.927 -1.786 1.00 0.00 C ATOM 59 CE2 PHE A 5 10.454 24.815 -1.883 1.00 0.00 C ATOM 60 CZ PHE A 5 11.283 25.776 -2.501 1.00 0.00 C ATOM 0 H PHE A 5 9.054 28.373 0.469 1.00 0.00 H new ATOM 0 HA PHE A 5 7.833 25.963 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 5 10.535 27.137 2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.086 25.446 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.536 27.995 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.391 24.270 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.308 27.665 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.151 23.933 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.617 25.630 -3.518 1.00 0.00 H new ATOM 70 N ASN A 6 8.223 28.196 3.631 1.00 0.00 N ATOM 71 CA ASN A 6 7.845 28.520 5.007 1.00 0.00 C ATOM 72 C ASN A 6 6.359 28.870 5.054 1.00 0.00 C ATOM 73 O ASN A 6 5.661 28.515 5.999 1.00 0.00 O ATOM 74 CB ASN A 6 8.673 29.697 5.526 1.00 0.00 C ATOM 75 CG ASN A 6 8.209 30.174 6.879 1.00 0.00 C ATOM 76 OD1 ASN A 6 7.623 31.235 6.997 1.00 0.00 O ATOM 77 ND2 ASN A 6 8.475 29.405 7.899 1.00 0.00 N ATOM 0 H ASN A 6 8.603 28.981 3.102 1.00 0.00 H new ATOM 0 HA ASN A 6 8.038 27.655 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.720 29.402 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.615 30.520 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.190 29.686 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.968 28.523 7.758 1.00 0.00 H new ATOM 84 N ARG A 7 5.881 29.550 4.020 1.00 0.00 N ATOM 85 CA ARG A 7 4.470 29.946 3.910 1.00 0.00 C ATOM 86 C ARG A 7 3.547 28.733 3.977 1.00 0.00 C ATOM 87 O ARG A 7 2.492 28.766 4.618 1.00 0.00 O ATOM 88 CB ARG A 7 4.271 30.662 2.568 1.00 0.00 C ATOM 89 CG ARG A 7 2.900 31.270 2.344 1.00 0.00 C ATOM 90 CD ARG A 7 2.815 31.775 0.914 1.00 0.00 C ATOM 91 NE ARG A 7 1.546 32.460 0.626 1.00 0.00 N ATOM 92 CZ ARG A 7 1.194 32.934 -0.566 1.00 0.00 C ATOM 93 NH1 ARG A 7 1.952 32.817 -1.624 1.00 0.00 N ATOM 94 NH2 ARG A 7 0.047 33.543 -0.691 1.00 0.00 N ATOM 0 H ARG A 7 6.455 29.846 3.230 1.00 0.00 H new ATOM 0 HA ARG A 7 4.222 30.604 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.017 31.453 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.469 29.952 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.123 30.528 2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.731 32.089 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.643 32.459 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.933 30.935 0.229 1.00 0.00 H new ATOM 0 HE ARG A 7 0.888 32.580 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.854 32.347 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.641 33.196 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.565 33.650 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.238 33.912 -1.598 1.00 0.00 H new ATOM 108 N TYR A 8 3.956 27.663 3.316 1.00 0.00 N ATOM 109 CA TYR A 8 3.167 26.440 3.254 1.00 0.00 C ATOM 110 C TYR A 8 3.712 25.331 4.152 1.00 0.00 C ATOM 111 O TYR A 8 3.269 24.189 4.081 1.00 0.00 O ATOM 112 CB TYR A 8 3.130 25.959 1.804 1.00 0.00 C ATOM 113 CG TYR A 8 2.543 26.983 0.846 1.00 0.00 C ATOM 114 CD1 TYR A 8 1.271 27.548 1.081 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.249 27.389 -0.305 1.00 0.00 C ATOM 116 CE1 TYR A 8 0.707 28.478 0.180 1.00 0.00 C ATOM 117 CE2 TYR A 8 2.684 28.331 -1.209 1.00 0.00 C ATOM 118 CZ TYR A 8 1.415 28.857 -0.959 1.00 0.00 C ATOM 119 OH TYR A 8 0.846 29.752 -1.828 1.00 0.00 O ATOM 0 H TYR A 8 4.840 27.615 2.809 1.00 0.00 H new ATOM 0 HA TYR A 8 2.166 26.670 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.142 25.711 1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.544 25.041 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.719 27.264 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.229 26.981 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.271 28.894 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.235 28.638 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 8 1.460 29.919 -2.574 1.00 0.00 H new ATOM 129 N SER A 9 4.680 25.661 4.997 1.00 0.00 N ATOM 130 CA SER A 9 5.334 24.652 5.841 1.00 0.00 C ATOM 131 C SER A 9 4.371 23.868 6.716 1.00 0.00 C ATOM 132 O SER A 9 4.510 22.661 6.865 1.00 0.00 O ATOM 133 CB SER A 9 6.375 25.309 6.752 1.00 0.00 C ATOM 134 OG SER A 9 5.785 26.314 7.565 1.00 0.00 O ATOM 0 H SER A 9 5.032 26.610 5.121 1.00 0.00 H new ATOM 0 HA SER A 9 5.799 23.953 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.838 24.552 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.168 25.747 6.146 1.00 0.00 H new ATOM 0 HG SER A 9 5.623 27.117 7.027 1.00 0.00 H new ATOM 140 N LYS A 10 3.399 24.553 7.305 1.00 0.00 N ATOM 141 CA LYS A 10 2.471 23.907 8.232 1.00 0.00 C ATOM 142 C LYS A 10 1.662 22.781 7.587 1.00 0.00 C ATOM 143 O LYS A 10 1.509 21.711 8.174 1.00 0.00 O ATOM 144 CB LYS A 10 1.563 24.956 8.926 1.00 0.00 C ATOM 145 CG LYS A 10 0.329 25.501 8.140 1.00 0.00 C ATOM 146 CD LYS A 10 0.675 26.324 6.884 1.00 0.00 C ATOM 147 CE LYS A 10 -0.601 26.841 6.226 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.313 27.507 4.916 1.00 0.00 N ATOM 0 H LYS A 10 3.231 25.549 7.161 1.00 0.00 H new ATOM 0 HA LYS A 10 3.076 23.425 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.199 24.518 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.187 25.808 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.297 24.659 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.266 26.121 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.318 27.161 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.233 25.708 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.292 26.013 6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.095 27.547 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.195 27.891 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.367 28.280 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.089 26.813 4.255 1.00 0.00 H new ATOM 162 N GLU A 11 1.156 23.005 6.386 1.00 0.00 N ATOM 163 CA GLU A 11 0.313 22.018 5.741 1.00 0.00 C ATOM 164 C GLU A 11 1.147 21.007 4.993 1.00 0.00 C ATOM 165 O GLU A 11 0.789 19.847 4.944 1.00 0.00 O ATOM 166 CB GLU A 11 -0.691 22.696 4.819 1.00 0.00 C ATOM 167 CG GLU A 11 -2.076 22.057 4.843 1.00 0.00 C ATOM 168 CD GLU A 11 -2.820 22.282 6.166 1.00 0.00 C ATOM 169 OE1 GLU A 11 -2.333 23.032 7.048 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.904 21.687 6.336 1.00 0.00 O ATOM 0 H GLU A 11 1.313 23.854 5.843 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.244 21.483 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.780 23.745 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.308 22.672 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.671 22.463 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.979 20.986 4.665 1.00 0.00 H new ATOM 177 N HIS A 12 2.279 21.426 4.434 1.00 0.00 N ATOM 178 CA HIS A 12 3.172 20.472 3.782 1.00 0.00 C ATOM 179 C HIS A 12 3.637 19.467 4.826 1.00 0.00 C ATOM 180 O HIS A 12 3.643 18.280 4.572 1.00 0.00 O ATOM 181 CB HIS A 12 4.386 21.162 3.155 1.00 0.00 C ATOM 182 CG HIS A 12 5.442 20.202 2.693 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.366 19.441 1.551 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.631 19.858 3.264 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.461 18.689 1.478 1.00 0.00 C ATOM 186 NE2 HIS A 12 7.272 18.909 2.496 1.00 0.00 N ATOM 0 H HIS A 12 2.595 22.396 4.418 1.00 0.00 H new ATOM 0 HA HIS A 12 2.629 19.978 2.976 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.056 21.763 2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.821 21.847 3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 12 4.602 19.451 0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.016 20.270 4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.662 17.985 0.684 1.00 0.00 H new ATOM 194 N MET A 13 4.008 19.934 6.011 1.00 0.00 N ATOM 195 CA MET A 13 4.435 19.022 7.071 1.00 0.00 C ATOM 196 C MET A 13 3.275 18.125 7.497 1.00 0.00 C ATOM 197 O MET A 13 3.445 16.917 7.661 1.00 0.00 O ATOM 198 CB MET A 13 4.946 19.804 8.282 1.00 0.00 C ATOM 199 CG MET A 13 5.525 18.919 9.377 1.00 0.00 C ATOM 200 SD MET A 13 5.991 19.869 10.837 1.00 0.00 S ATOM 201 CE MET A 13 4.377 20.119 11.627 1.00 0.00 C ATOM 0 H MET A 13 4.023 20.922 6.263 1.00 0.00 H new ATOM 0 HA MET A 13 5.244 18.404 6.681 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.710 20.508 7.953 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.127 20.392 8.696 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.793 18.161 9.656 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.399 18.392 8.993 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.514 20.631 12.580 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.744 20.724 10.978 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.903 19.153 11.799 1.00 0.00 H new ATOM 211 N LYS A 14 2.095 18.714 7.663 1.00 0.00 N ATOM 212 CA LYS A 14 0.911 17.953 8.070 1.00 0.00 C ATOM 213 C LYS A 14 0.608 16.849 7.063 1.00 0.00 C ATOM 214 O LYS A 14 0.383 15.696 7.443 1.00 0.00 O ATOM 215 CB LYS A 14 -0.292 18.896 8.183 1.00 0.00 C ATOM 216 CG LYS A 14 -1.559 18.252 8.745 1.00 0.00 C ATOM 217 CD LYS A 14 -2.782 19.155 8.540 1.00 0.00 C ATOM 218 CE LYS A 14 -2.677 20.472 9.317 1.00 0.00 C ATOM 219 NZ LYS A 14 -3.899 21.313 9.101 1.00 0.00 N ATOM 0 H LYS A 14 1.930 19.711 7.524 1.00 0.00 H new ATOM 0 HA LYS A 14 1.108 17.493 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.017 19.739 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.514 19.300 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.728 17.292 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.427 18.051 9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.895 19.372 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.680 18.622 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.556 20.264 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.791 21.020 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.716 22.282 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.134 21.330 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.696 20.911 9.634 1.00 0.00 H new ATOM 233 N LYS A 15 0.617 17.193 5.783 1.00 0.00 N ATOM 234 CA LYS A 15 0.341 16.213 4.744 1.00 0.00 C ATOM 235 C LYS A 15 1.463 15.205 4.675 1.00 0.00 C ATOM 236 O LYS A 15 1.202 14.039 4.606 1.00 0.00 O ATOM 237 CB LYS A 15 0.135 16.864 3.374 1.00 0.00 C ATOM 238 CG LYS A 15 -1.041 16.246 2.640 1.00 0.00 C ATOM 239 CD LYS A 15 -0.985 16.501 1.138 1.00 0.00 C ATOM 240 CE LYS A 15 -2.194 15.877 0.439 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.307 14.392 0.680 1.00 0.00 N ATOM 0 H LYS A 15 0.811 18.135 5.442 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.589 15.710 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.033 17.934 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.039 16.751 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.057 15.172 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.970 16.651 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.962 17.574 0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.066 16.084 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.103 16.367 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.124 16.062 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.947 13.974 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.367 13.954 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.685 14.223 1.634 1.00 0.00 H new ATOM 255 N MET A 16 2.709 15.652 4.724 1.00 0.00 N ATOM 256 CA MET A 16 3.851 14.734 4.698 1.00 0.00 C ATOM 257 C MET A 16 3.725 13.704 5.811 1.00 0.00 C ATOM 258 O MET A 16 3.926 12.517 5.581 1.00 0.00 O ATOM 259 CB MET A 16 5.169 15.511 4.844 1.00 0.00 C ATOM 260 CG MET A 16 6.394 14.632 5.103 1.00 0.00 C ATOM 261 SD MET A 16 7.952 15.548 5.003 1.00 0.00 S ATOM 262 CE MET A 16 7.866 16.578 6.481 1.00 0.00 C ATOM 0 H MET A 16 2.960 16.639 4.782 1.00 0.00 H new ATOM 0 HA MET A 16 3.856 14.217 3.739 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.338 16.090 3.936 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.068 16.223 5.663 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.308 14.179 6.091 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.410 13.817 4.379 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.874 16.787 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.364 17.516 6.242 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.307 16.055 7.257 1.00 0.00 H new ATOM 272 N MET A 17 3.381 14.143 7.014 1.00 0.00 N ATOM 273 CA MET A 17 3.218 13.203 8.119 1.00 0.00 C ATOM 274 C MET A 17 2.120 12.192 7.806 1.00 0.00 C ATOM 275 O MET A 17 2.343 10.989 7.895 1.00 0.00 O ATOM 276 CB MET A 17 2.889 13.942 9.418 1.00 0.00 C ATOM 277 CG MET A 17 4.087 14.655 10.029 1.00 0.00 C ATOM 278 SD MET A 17 3.629 15.580 11.511 1.00 0.00 S ATOM 279 CE MET A 17 5.240 16.120 12.099 1.00 0.00 C ATOM 0 H MET A 17 3.212 15.121 7.249 1.00 0.00 H new ATOM 0 HA MET A 17 4.161 12.672 8.249 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.102 14.671 9.223 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.492 13.230 10.141 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.857 13.925 10.279 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.519 15.335 9.295 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.117 16.704 13.011 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.862 15.249 12.307 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.719 16.734 11.336 1.00 0.00 H new ATOM 289 N LYS A 18 0.940 12.665 7.429 1.00 0.00 N ATOM 290 CA LYS A 18 -0.182 11.758 7.178 1.00 0.00 C ATOM 291 C LYS A 18 0.003 10.877 5.947 1.00 0.00 C ATOM 292 O LYS A 18 -0.387 9.715 5.945 1.00 0.00 O ATOM 293 CB LYS A 18 -1.486 12.557 7.052 1.00 0.00 C ATOM 294 CG LYS A 18 -2.696 11.818 7.620 1.00 0.00 C ATOM 295 CD LYS A 18 -2.649 11.780 9.155 1.00 0.00 C ATOM 296 CE LYS A 18 -3.235 10.485 9.695 1.00 0.00 C ATOM 297 NZ LYS A 18 -2.893 10.327 11.147 1.00 0.00 N ATOM 0 H LYS A 18 0.732 13.654 7.291 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.227 11.086 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.373 13.510 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.666 12.784 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.613 12.309 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.722 10.801 7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.617 11.883 9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.202 12.628 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.317 10.486 9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.848 9.638 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.388 9.429 11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.287 11.116 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.767 10.326 11.711 1.00 0.00 H new ATOM 311 N ASP A 19 0.606 11.418 4.909 1.00 0.00 N ATOM 312 CA ASP A 19 0.836 10.675 3.677 1.00 0.00 C ATOM 313 C ASP A 19 1.917 9.632 3.902 1.00 0.00 C ATOM 314 O ASP A 19 1.871 8.572 3.309 1.00 0.00 O ATOM 315 CB ASP A 19 1.224 11.613 2.527 1.00 0.00 C ATOM 316 CG ASP A 19 0.077 12.538 2.110 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.086 12.293 2.505 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.337 13.520 1.391 1.00 0.00 O ATOM 0 H ASP A 19 0.950 12.378 4.890 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.091 10.175 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.081 12.216 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.538 11.019 1.668 1.00 0.00 H new ATOM 323 N LEU A 20 2.888 9.891 4.773 1.00 0.00 N ATOM 324 CA LEU A 20 3.884 8.856 5.066 1.00 0.00 C ATOM 325 C LEU A 20 3.335 7.823 6.037 1.00 0.00 C ATOM 326 O LEU A 20 3.784 6.677 6.033 1.00 0.00 O ATOM 327 CB LEU A 20 5.203 9.436 5.566 1.00 0.00 C ATOM 328 CG LEU A 20 5.971 10.221 4.490 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.295 10.719 5.068 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.239 9.396 3.206 1.00 0.00 C ATOM 0 H LEU A 20 3.009 10.772 5.273 1.00 0.00 H new ATOM 0 HA LEU A 20 4.100 8.355 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.005 10.093 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.832 8.625 5.932 1.00 0.00 H new ATOM 0 HG LEU A 20 5.339 11.060 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.839 11.275 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.098 11.370 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.894 9.868 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.784 10.008 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.831 8.516 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.290 9.083 2.770 1.00 0.00 H new ATOM 342 N GLU A 21 2.344 8.189 6.838 1.00 0.00 N ATOM 343 CA GLU A 21 1.633 7.183 7.631 1.00 0.00 C ATOM 344 C GLU A 21 0.936 6.300 6.601 1.00 0.00 C ATOM 345 O GLU A 21 0.910 5.085 6.727 1.00 0.00 O ATOM 346 CB GLU A 21 0.583 7.794 8.566 1.00 0.00 C ATOM 347 CG GLU A 21 1.130 8.439 9.824 1.00 0.00 C ATOM 348 CD GLU A 21 0.014 9.068 10.646 1.00 0.00 C ATOM 349 OE1 GLU A 21 0.015 10.304 10.846 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.893 8.329 11.085 1.00 0.00 O ATOM 0 H GLU A 21 2.017 9.148 6.958 1.00 0.00 H new ATOM 0 HA GLU A 21 2.330 6.646 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.018 8.542 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.120 7.013 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.650 7.692 10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.863 9.200 9.557 1.00 0.00 H new ATOM 357 N GLY A 22 0.394 6.925 5.562 1.00 0.00 N ATOM 358 CA GLY A 22 -0.244 6.191 4.482 1.00 0.00 C ATOM 359 C GLY A 22 0.742 5.318 3.730 1.00 0.00 C ATOM 360 O GLY A 22 0.416 4.198 3.360 1.00 0.00 O ATOM 0 H GLY A 22 0.385 7.938 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.043 5.570 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.707 6.894 3.790 1.00 0.00 H new ATOM 364 N LEU A 23 1.954 5.808 3.510 1.00 0.00 N ATOM 365 CA LEU A 23 2.987 5.029 2.829 1.00 0.00 C ATOM 366 C LEU A 23 3.295 3.792 3.674 1.00 0.00 C ATOM 367 O LEU A 23 3.449 2.693 3.156 1.00 0.00 O ATOM 368 CB LEU A 23 4.237 5.887 2.591 1.00 0.00 C ATOM 369 CG LEU A 23 5.050 5.524 1.333 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.039 6.628 1.019 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.815 4.207 1.489 1.00 0.00 C ATOM 0 H LEU A 23 2.250 6.742 3.792 1.00 0.00 H new ATOM 0 HA LEU A 23 2.636 4.708 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.933 6.931 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.887 5.803 3.462 1.00 0.00 H new ATOM 0 HG LEU A 23 4.335 5.405 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.609 6.363 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.501 7.559 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.720 6.757 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.371 3.998 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.509 4.286 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.110 3.397 1.678 1.00 0.00 H new ATOM 383 N HIS A 24 3.346 3.949 4.988 1.00 0.00 N ATOM 384 CA HIS A 24 3.540 2.790 5.858 1.00 0.00 C ATOM 385 C HIS A 24 2.294 1.914 5.876 1.00 0.00 C ATOM 386 O HIS A 24 2.393 0.729 6.101 1.00 0.00 O ATOM 387 CB HIS A 24 3.941 3.206 7.267 1.00 0.00 C ATOM 388 CG HIS A 24 5.355 3.687 7.353 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.462 2.848 7.184 1.00 0.00 N ATOM 390 CD2 HIS A 24 5.886 4.920 7.561 1.00 0.00 C ATOM 391 CE1 HIS A 24 7.567 3.570 7.301 1.00 0.00 C ATOM 392 NE2 HIS A 24 7.243 4.816 7.529 1.00 0.00 N ATOM 0 H HIS A 24 3.259 4.843 5.470 1.00 0.00 H new ATOM 0 HA HIS A 24 4.362 2.203 5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.273 3.995 7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.809 2.360 7.941 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.425 1.845 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.326 5.829 7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.575 3.190 7.221 1.00 0.00 H new ATOM 400 N ARG A 25 1.124 2.468 5.602 1.00 0.00 N ATOM 401 CA ARG A 25 -0.070 1.634 5.449 1.00 0.00 C ATOM 402 C ARG A 25 -0.021 0.891 4.116 1.00 0.00 C ATOM 403 O ARG A 25 -0.638 -0.144 3.982 1.00 0.00 O ATOM 404 CB ARG A 25 -1.360 2.439 5.538 1.00 0.00 C ATOM 405 CG ARG A 25 -1.711 2.888 6.951 1.00 0.00 C ATOM 406 CD ARG A 25 -3.050 3.624 6.984 1.00 0.00 C ATOM 407 NE ARG A 25 -4.173 2.723 6.652 1.00 0.00 N ATOM 408 CZ ARG A 25 -4.788 2.648 5.475 1.00 0.00 C ATOM 409 NH1 ARG A 25 -4.460 3.406 4.454 1.00 0.00 N ATOM 410 NH2 ARG A 25 -5.750 1.780 5.321 1.00 0.00 N ATOM 0 H ARG A 25 0.970 3.469 5.482 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.071 0.923 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.273 3.318 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.180 1.838 5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.754 2.021 7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.926 3.540 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.206 4.052 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.027 4.454 6.278 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.506 2.104 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.706 4.087 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.959 3.314 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.019 1.174 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.233 1.708 4.426 1.00 0.00 H new ATOM 424 N ALA A 26 0.720 1.394 3.136 1.00 0.00 N ATOM 425 CA ALA A 26 0.913 0.653 1.888 1.00 0.00 C ATOM 426 C ALA A 26 1.890 -0.502 2.175 1.00 0.00 C ATOM 427 O ALA A 26 1.748 -1.595 1.646 1.00 0.00 O ATOM 428 CB ALA A 26 1.452 1.571 0.777 1.00 0.00 C ATOM 0 H ALA A 26 1.192 2.297 3.175 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.040 0.259 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.586 0.994 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.743 2.379 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.410 1.991 1.085 1.00 0.00 H new ATOM 434 N GLU A 27 2.862 -0.247 3.039 1.00 0.00 N ATOM 435 CA GLU A 27 3.815 -1.271 3.494 1.00 0.00 C ATOM 436 C GLU A 27 3.034 -2.360 4.268 1.00 0.00 C ATOM 437 O GLU A 27 3.226 -3.589 4.094 1.00 0.00 O ATOM 438 CB GLU A 27 4.859 -0.575 4.374 1.00 0.00 C ATOM 439 CG GLU A 27 6.129 -1.330 4.652 1.00 0.00 C ATOM 440 CD GLU A 27 7.142 -0.415 5.341 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.291 -0.316 4.865 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.776 0.232 6.357 1.00 0.00 O ATOM 0 H GLU A 27 3.019 0.673 3.449 1.00 0.00 H new ATOM 0 HA GLU A 27 4.327 -1.756 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.124 0.371 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.392 -0.335 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.918 -2.193 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.546 -1.711 3.720 1.00 0.00 H new ATOM 449 N GLN A 28 2.113 -1.899 5.101 1.00 0.00 N ATOM 450 CA GLN A 28 1.214 -2.805 5.780 1.00 0.00 C ATOM 451 C GLN A 28 0.394 -3.531 4.740 1.00 0.00 C ATOM 452 O GLN A 28 0.228 -4.692 4.856 1.00 0.00 O ATOM 453 CB GLN A 28 0.268 -2.086 6.739 1.00 0.00 C ATOM 454 CG GLN A 28 0.907 -1.632 8.031 1.00 0.00 C ATOM 455 CD GLN A 28 -0.102 -0.988 8.950 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.214 0.230 9.017 1.00 0.00 O ATOM 457 NE2 GLN A 28 -0.849 -1.798 9.652 1.00 0.00 N ATOM 0 H GLN A 28 1.973 -0.912 5.318 1.00 0.00 H new ATOM 0 HA GLN A 28 1.817 -3.493 6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.151 -1.217 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.564 -2.750 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.364 -2.485 8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.707 -0.924 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.725 -2.807 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.556 -1.421 10.284 1.00 0.00 H new ATOM 466 N SER A 29 -0.117 -2.867 3.714 1.00 0.00 N ATOM 467 CA SER A 29 -0.943 -3.572 2.733 1.00 0.00 C ATOM 468 C SER A 29 -0.189 -4.724 2.065 1.00 0.00 C ATOM 469 O SER A 29 -0.760 -5.782 1.903 1.00 0.00 O ATOM 470 CB SER A 29 -1.553 -2.623 1.694 1.00 0.00 C ATOM 471 OG SER A 29 -0.609 -2.165 0.745 1.00 0.00 O ATOM 0 H SER A 29 0.017 -1.871 3.537 1.00 0.00 H new ATOM 0 HA SER A 29 -1.772 -4.009 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.364 -3.134 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.992 -1.766 2.205 1.00 0.00 H new ATOM 0 HG SER A 29 0.293 -2.237 1.120 1.00 0.00 H new ATOM 477 N LEU A 30 1.082 -4.547 1.708 1.00 0.00 N ATOM 478 CA LEU A 30 1.861 -5.659 1.136 1.00 0.00 C ATOM 479 C LEU A 30 2.085 -6.720 2.228 1.00 0.00 C ATOM 480 O LEU A 30 1.843 -7.906 1.999 1.00 0.00 O ATOM 481 CB LEU A 30 3.195 -5.202 0.502 1.00 0.00 C ATOM 482 CG LEU A 30 4.045 -4.050 1.058 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.295 -4.602 1.728 1.00 0.00 C ATOM 484 CD2 LEU A 30 4.459 -3.032 -0.021 1.00 0.00 C ATOM 0 H LEU A 30 1.591 -3.668 1.799 1.00 0.00 H new ATOM 0 HA LEU A 30 1.288 -6.090 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.842 -6.079 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.971 -4.947 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 30 3.421 -3.525 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.892 -3.778 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.008 -5.263 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.882 -5.161 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.057 -2.243 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.046 -3.535 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.567 -2.597 -0.472 1.00 0.00 H new ATOM 496 N HIS A 31 2.524 -6.347 3.422 1.00 0.00 N ATOM 497 CA HIS A 31 2.766 -7.406 4.417 1.00 0.00 C ATOM 498 C HIS A 31 1.493 -8.046 5.002 1.00 0.00 C ATOM 499 O HIS A 31 1.507 -9.213 5.401 1.00 0.00 O ATOM 500 CB HIS A 31 3.727 -6.926 5.489 1.00 0.00 C ATOM 501 CG HIS A 31 5.127 -6.758 4.980 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.673 -7.504 3.956 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.117 -5.905 5.361 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.925 -7.103 3.774 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.251 -6.128 4.600 1.00 0.00 N ATOM 0 H HIS A 31 2.712 -5.390 3.722 1.00 0.00 H new ATOM 0 HA HIS A 31 3.238 -8.225 3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.374 -5.975 5.888 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.728 -7.638 6.315 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.197 -8.237 3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.030 -5.164 6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.595 -7.524 3.039 1.00 0.00 H new ATOM 513 N ASP A 32 0.394 -7.316 5.016 1.00 0.00 N ATOM 514 CA ASP A 32 -0.900 -7.854 5.430 1.00 0.00 C ATOM 515 C ASP A 32 -1.336 -8.799 4.326 1.00 0.00 C ATOM 516 O ASP A 32 -1.934 -9.823 4.592 1.00 0.00 O ATOM 517 CB ASP A 32 -1.974 -6.760 5.589 1.00 0.00 C ATOM 518 CG ASP A 32 -1.722 -5.833 6.784 1.00 0.00 C ATOM 519 OD1 ASP A 32 -0.910 -6.168 7.674 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.362 -4.753 6.828 1.00 0.00 O ATOM 0 H ASP A 32 0.367 -6.334 4.742 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.795 -8.340 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.013 -6.164 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.950 -7.232 5.704 1.00 0.00 H new ATOM 525 N LEU A 33 -1.022 -8.462 3.078 1.00 0.00 N ATOM 526 CA LEU A 33 -1.333 -9.345 1.953 1.00 0.00 C ATOM 527 C LEU A 33 -0.566 -10.642 2.167 1.00 0.00 C ATOM 528 O LEU A 33 -1.125 -11.719 1.987 1.00 0.00 O ATOM 529 CB LEU A 33 -0.957 -8.708 0.602 1.00 0.00 C ATOM 530 CG LEU A 33 -2.089 -7.947 -0.107 1.00 0.00 C ATOM 531 CD1 LEU A 33 -1.497 -6.933 -1.101 1.00 0.00 C ATOM 532 CD2 LEU A 33 -3.028 -8.918 -0.826 1.00 0.00 C ATOM 0 H LEU A 33 -0.556 -7.592 2.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.407 -9.529 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.126 -8.021 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.598 -9.493 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.670 -7.409 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.305 -6.398 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.868 -6.223 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.898 -7.459 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.821 -8.358 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.466 -9.485 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.466 -9.604 -0.101 1.00 0.00 H new ATOM 544 N GLN A 34 0.694 -10.550 2.581 1.00 0.00 N ATOM 545 CA GLN A 34 1.460 -11.771 2.884 1.00 0.00 C ATOM 546 C GLN A 34 0.831 -12.566 4.033 1.00 0.00 C ATOM 547 O GLN A 34 0.669 -13.788 3.937 1.00 0.00 O ATOM 548 CB GLN A 34 2.910 -11.454 3.277 1.00 0.00 C ATOM 549 CG GLN A 34 3.868 -11.389 2.116 1.00 0.00 C ATOM 550 CD GLN A 34 3.932 -10.026 1.497 1.00 0.00 C ATOM 551 OE1 GLN A 34 4.633 -9.131 1.992 1.00 0.00 O ATOM 552 NE2 GLN A 34 3.224 -9.848 0.415 1.00 0.00 N ATOM 0 H GLN A 34 1.201 -9.675 2.714 1.00 0.00 H new ATOM 0 HA GLN A 34 1.444 -12.362 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.931 -10.500 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.258 -12.213 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.863 -11.677 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.566 -12.114 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.661 -10.613 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.234 -8.944 -0.058 1.00 0.00 H new ATOM 561 N GLU A 35 0.488 -11.889 5.121 1.00 0.00 N ATOM 562 CA GLU A 35 -0.077 -12.565 6.293 1.00 0.00 C ATOM 563 C GLU A 35 -1.402 -13.246 5.953 1.00 0.00 C ATOM 564 O GLU A 35 -1.649 -14.401 6.325 1.00 0.00 O ATOM 565 CB GLU A 35 -0.283 -11.556 7.429 1.00 0.00 C ATOM 566 CG GLU A 35 -0.600 -12.205 8.772 1.00 0.00 C ATOM 567 CD GLU A 35 -2.006 -11.896 9.274 1.00 0.00 C ATOM 568 OE1 GLU A 35 -2.141 -11.517 10.458 1.00 0.00 O ATOM 569 OE2 GLU A 35 -2.987 -12.054 8.512 1.00 0.00 O ATOM 0 H GLU A 35 0.588 -10.879 5.221 1.00 0.00 H new ATOM 0 HA GLU A 35 0.626 -13.334 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.616 -10.949 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.095 -10.880 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.483 -13.285 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.125 -11.866 9.512 1.00 0.00 H new ATOM 576 N ARG A 36 -2.250 -12.537 5.225 1.00 0.00 N ATOM 577 CA ARG A 36 -3.549 -13.065 4.832 1.00 0.00 C ATOM 578 C ARG A 36 -3.379 -14.218 3.863 1.00 0.00 C ATOM 579 O ARG A 36 -4.139 -15.161 3.923 1.00 0.00 O ATOM 580 CB ARG A 36 -4.410 -11.962 4.220 1.00 0.00 C ATOM 581 CG ARG A 36 -4.853 -10.902 5.234 1.00 0.00 C ATOM 582 CD ARG A 36 -5.367 -9.640 4.544 1.00 0.00 C ATOM 583 NE ARG A 36 -6.645 -9.864 3.839 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.320 -8.938 3.164 1.00 0.00 C ATOM 585 NH1 ARG A 36 -6.889 -7.705 3.049 1.00 0.00 N ATOM 586 NH2 ARG A 36 -8.450 -9.260 2.596 1.00 0.00 N ATOM 0 H ARG A 36 -2.062 -11.591 4.893 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.057 -13.439 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.851 -11.477 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.293 -12.411 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.636 -11.313 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.015 -10.646 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.498 -8.852 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.620 -9.288 3.833 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.041 -10.803 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.009 -7.430 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.434 -7.021 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.806 -10.213 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.977 -8.559 2.075 1.00 0.00 H new ATOM 600 N LEU A 37 -2.385 -14.159 2.986 1.00 0.00 N ATOM 601 CA LEU A 37 -2.093 -15.269 2.067 1.00 0.00 C ATOM 602 C LEU A 37 -1.644 -16.469 2.899 1.00 0.00 C ATOM 603 O LEU A 37 -2.115 -17.613 2.704 1.00 0.00 O ATOM 604 CB LEU A 37 -0.973 -14.851 1.091 1.00 0.00 C ATOM 605 CG LEU A 37 -0.562 -15.729 -0.110 1.00 0.00 C ATOM 606 CD1 LEU A 37 0.551 -14.984 -0.836 1.00 0.00 C ATOM 607 CD2 LEU A 37 -0.047 -17.129 0.236 1.00 0.00 C ATOM 0 H LEU A 37 -1.763 -13.357 2.886 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.979 -15.528 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.255 -13.879 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.075 -14.699 1.690 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.462 -15.890 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.877 -15.567 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.181 -14.015 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.392 -14.836 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.213 -17.658 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.836 -17.046 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.823 -17.681 0.766 1.00 0.00 H new ATOM 619 N HIS A 38 -0.738 -16.204 3.836 1.00 0.00 N ATOM 620 CA HIS A 38 -0.196 -17.262 4.677 1.00 0.00 C ATOM 621 C HIS A 38 -1.324 -17.982 5.389 1.00 0.00 C ATOM 622 O HIS A 38 -1.366 -19.196 5.371 1.00 0.00 O ATOM 623 CB HIS A 38 0.815 -16.721 5.688 1.00 0.00 C ATOM 624 CG HIS A 38 1.860 -17.722 6.072 1.00 0.00 C ATOM 625 ND1 HIS A 38 3.123 -17.754 5.538 1.00 0.00 N ATOM 626 CD2 HIS A 38 1.821 -18.765 6.952 1.00 0.00 C ATOM 627 CE1 HIS A 38 3.782 -18.769 6.085 1.00 0.00 C ATOM 628 NE2 HIS A 38 3.036 -19.425 6.948 1.00 0.00 N ATOM 0 H HIS A 38 -0.367 -15.274 4.030 1.00 0.00 H new ATOM 0 HA HIS A 38 0.333 -17.966 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.302 -15.840 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.285 -16.397 6.584 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.970 -19.034 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.805 -19.025 5.850 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.298 -20.244 7.496 1.00 0.00 H new ATOM 636 N LYS A 39 -2.251 -17.243 5.986 1.00 0.00 N ATOM 637 CA LYS A 39 -3.415 -17.861 6.639 1.00 0.00 C ATOM 638 C LYS A 39 -4.327 -18.538 5.628 1.00 0.00 C ATOM 639 O LYS A 39 -4.804 -19.653 5.856 1.00 0.00 O ATOM 640 CB LYS A 39 -4.227 -16.806 7.381 1.00 0.00 C ATOM 641 CG LYS A 39 -3.574 -16.315 8.648 1.00 0.00 C ATOM 642 CD LYS A 39 -4.365 -15.162 9.213 1.00 0.00 C ATOM 643 CE LYS A 39 -3.737 -14.651 10.489 1.00 0.00 C ATOM 644 NZ LYS A 39 -4.316 -13.319 10.839 1.00 0.00 N ATOM 0 H LYS A 39 -2.227 -16.224 6.036 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.033 -18.608 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.395 -15.958 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.206 -17.219 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.519 -17.123 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.551 -16.001 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.416 -14.357 8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.389 -15.480 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.912 -15.358 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.657 -14.568 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.547 -12.642 11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.903 -12.978 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.901 -13.409 11.694 1.00 0.00 H new ATOM 658 N ALA A 40 -4.559 -17.872 4.505 1.00 0.00 N ATOM 659 CA ALA A 40 -5.425 -18.401 3.462 1.00 0.00 C ATOM 660 C ALA A 40 -4.900 -19.758 3.015 1.00 0.00 C ATOM 661 O ALA A 40 -5.690 -20.653 2.723 1.00 0.00 O ATOM 662 CB ALA A 40 -5.522 -17.436 2.293 1.00 0.00 C ATOM 0 H ALA A 40 -4.157 -16.959 4.293 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.432 -18.524 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.175 -17.856 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.931 -16.486 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.530 -17.272 1.873 1.00 0.00 H new ATOM 668 N GLN A 41 -3.589 -19.956 2.991 1.00 0.00 N ATOM 669 CA GLN A 41 -3.121 -21.321 2.813 1.00 0.00 C ATOM 670 C GLN A 41 -3.223 -22.116 4.143 1.00 0.00 C ATOM 671 O GLN A 41 -3.977 -23.090 4.241 1.00 0.00 O ATOM 672 CB GLN A 41 -1.660 -21.293 2.344 1.00 0.00 C ATOM 673 CG GLN A 41 -1.063 -22.669 2.064 1.00 0.00 C ATOM 674 CD GLN A 41 0.411 -22.594 1.726 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.817 -22.870 0.609 1.00 0.00 O ATOM 676 NE2 GLN A 41 1.217 -22.231 2.691 1.00 0.00 N ATOM 0 H GLN A 41 -2.870 -19.238 3.086 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.746 -21.814 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.593 -20.690 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.056 -20.796 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.202 -23.308 2.936 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.600 -23.135 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.841 -22.008 3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.221 -22.171 2.522 1.00 0.00 H new ATOM 685 N GLU A 42 -2.489 -21.689 5.162 1.00 0.00 N ATOM 686 CA GLU A 42 -2.278 -22.486 6.379 1.00 0.00 C ATOM 687 C GLU A 42 -3.538 -23.026 7.027 1.00 0.00 C ATOM 688 O GLU A 42 -3.635 -24.232 7.284 1.00 0.00 O ATOM 689 CB GLU A 42 -1.481 -21.674 7.407 1.00 0.00 C ATOM 690 CG GLU A 42 -0.985 -22.503 8.590 1.00 0.00 C ATOM 691 CD GLU A 42 -0.169 -21.685 9.585 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.093 -20.447 9.435 1.00 0.00 O ATOM 693 OE2 GLU A 42 0.390 -22.293 10.526 1.00 0.00 O ATOM 0 H GLU A 42 -2.021 -20.783 5.175 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.721 -23.363 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.625 -21.216 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.106 -20.862 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.840 -22.943 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.377 -23.328 8.220 1.00 0.00 H new ATOM 700 N GLU A 43 -4.508 -22.164 7.286 1.00 0.00 N ATOM 701 CA GLU A 43 -5.760 -22.621 7.868 1.00 0.00 C ATOM 702 C GLU A 43 -6.816 -22.859 6.789 1.00 0.00 C ATOM 703 O GLU A 43 -7.661 -23.752 6.933 1.00 0.00 O ATOM 704 CB GLU A 43 -6.281 -21.645 8.946 1.00 0.00 C ATOM 705 CG GLU A 43 -6.528 -20.203 8.482 1.00 0.00 C ATOM 706 CD GLU A 43 -7.103 -19.309 9.577 1.00 0.00 C ATOM 707 OE1 GLU A 43 -7.434 -19.815 10.671 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.232 -18.088 9.329 1.00 0.00 O ATOM 0 H GLU A 43 -4.456 -21.161 7.106 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.559 -23.573 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.214 -22.042 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.564 -21.624 9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.589 -19.776 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.212 -20.213 7.634 1.00 0.00 H new ATOM 715 N HIS A 44 -6.805 -22.055 5.732 1.00 0.00 N ATOM 716 CA HIS A 44 -7.927 -22.090 4.781 1.00 0.00 C ATOM 717 C HIS A 44 -7.774 -22.931 3.523 1.00 0.00 C ATOM 718 O HIS A 44 -8.765 -23.215 2.860 1.00 0.00 O ATOM 719 CB HIS A 44 -8.347 -20.668 4.410 1.00 0.00 C ATOM 720 CG HIS A 44 -9.817 -20.431 4.547 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.390 -19.663 5.529 1.00 0.00 N ATOM 722 CD2 HIS A 44 -10.862 -20.897 3.810 1.00 0.00 C ATOM 723 CE1 HIS A 44 -11.709 -19.679 5.353 1.00 0.00 C ATOM 724 NE2 HIS A 44 -12.054 -20.422 4.320 1.00 0.00 N ATOM 0 H HIS A 44 -6.064 -21.391 5.510 1.00 0.00 H new ATOM 0 HA HIS A 44 -8.701 -22.618 5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.811 -19.961 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.047 -20.465 3.382 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -9.891 -19.166 6.267 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.772 -21.545 2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.411 -19.148 5.980 1.00 0.00 H new ATOM 732 N ARG A 45 -6.538 -23.295 3.198 1.00 0.00 N ATOM 733 CA ARG A 45 -6.167 -24.022 1.963 1.00 0.00 C ATOM 734 C ARG A 45 -6.896 -23.536 0.712 1.00 0.00 C ATOM 735 O ARG A 45 -7.347 -24.319 -0.120 1.00 0.00 O ATOM 736 CB ARG A 45 -6.205 -25.555 2.134 1.00 0.00 C ATOM 737 CG ARG A 45 -7.554 -26.215 2.467 1.00 0.00 C ATOM 738 CD ARG A 45 -7.416 -27.224 3.610 1.00 0.00 C ATOM 739 NE ARG A 45 -7.127 -26.554 4.894 1.00 0.00 N ATOM 740 CZ ARG A 45 -5.953 -26.539 5.519 1.00 0.00 C ATOM 741 NH1 ARG A 45 -4.885 -27.139 5.056 1.00 0.00 N ATOM 742 NH2 ARG A 45 -5.853 -25.891 6.632 1.00 0.00 N ATOM 0 H ARG A 45 -5.736 -23.093 3.795 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.122 -23.766 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.834 -26.002 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.501 -25.820 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.278 -25.448 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.943 -26.717 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.336 -27.802 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.618 -27.929 3.379 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.897 -26.058 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.929 -27.650 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.009 -27.095 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.664 -25.405 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.963 -25.866 7.129 1.00 0.00 H new ATOM 756 N THR A 46 -6.970 -22.219 0.591 1.00 0.00 N ATOM 757 CA THR A 46 -7.495 -21.568 -0.594 1.00 0.00 C ATOM 758 C THR A 46 -6.238 -21.111 -1.333 1.00 0.00 C ATOM 759 O THR A 46 -5.306 -21.907 -1.431 1.00 0.00 O ATOM 760 CB THR A 46 -8.435 -20.412 -0.227 1.00 0.00 C ATOM 761 OG1 THR A 46 -7.790 -19.532 0.694 1.00 0.00 O ATOM 762 CG2 THR A 46 -9.684 -20.922 0.418 1.00 0.00 C ATOM 0 H THR A 46 -6.665 -21.571 1.317 1.00 0.00 H new ATOM 0 HA THR A 46 -8.113 -22.220 -1.212 1.00 0.00 H new ATOM 0 HB THR A 46 -8.687 -19.886 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.464 -18.997 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.333 -20.083 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.203 -21.589 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.428 -21.466 1.327 1.00 0.00 H new ATOM 770 N VAL A 47 -6.204 -19.871 -1.830 1.00 0.00 N ATOM 771 CA VAL A 47 -5.060 -19.306 -2.587 1.00 0.00 C ATOM 772 C VAL A 47 -4.485 -20.310 -3.578 1.00 0.00 C ATOM 773 O VAL A 47 -3.280 -20.454 -3.702 1.00 0.00 O ATOM 774 CB VAL A 47 -3.910 -18.681 -1.673 1.00 0.00 C ATOM 775 CG1 VAL A 47 -4.368 -17.362 -1.054 1.00 0.00 C ATOM 776 CG2 VAL A 47 -3.450 -19.629 -0.561 1.00 0.00 C ATOM 0 H VAL A 47 -6.977 -19.214 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.481 -18.470 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.060 -18.508 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.569 -16.954 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.612 -16.654 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.251 -17.536 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.668 -19.148 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.294 -19.868 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.060 -20.546 -1.003 1.00 0.00 H new ATOM 786 N GLU A 48 -5.384 -20.987 -4.285 1.00 0.00 N ATOM 787 CA GLU A 48 -5.014 -21.966 -5.304 1.00 0.00 C ATOM 788 C GLU A 48 -4.001 -22.985 -4.738 1.00 0.00 C ATOM 789 O GLU A 48 -2.870 -23.088 -5.199 1.00 0.00 O ATOM 790 CB GLU A 48 -4.476 -21.227 -6.544 1.00 0.00 C ATOM 791 CG GLU A 48 -5.489 -20.245 -7.161 1.00 0.00 C ATOM 792 CD GLU A 48 -5.596 -18.921 -6.394 1.00 0.00 C ATOM 793 OE1 GLU A 48 -4.630 -18.130 -6.414 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.652 -18.663 -5.776 1.00 0.00 O ATOM 0 H GLU A 48 -6.391 -20.873 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.891 -22.538 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.574 -20.681 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.187 -21.960 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.202 -20.037 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.470 -20.719 -7.193 1.00 0.00 H new ATOM 801 N VAL A 49 -4.437 -23.719 -3.718 1.00 0.00 N ATOM 802 CA VAL A 49 -3.594 -24.673 -2.977 1.00 0.00 C ATOM 803 C VAL A 49 -2.709 -25.567 -3.868 1.00 0.00 C ATOM 804 O VAL A 49 -3.115 -26.004 -4.946 1.00 0.00 O ATOM 805 CB VAL A 49 -4.474 -25.520 -1.990 1.00 0.00 C ATOM 806 CG1 VAL A 49 -5.341 -26.544 -2.736 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.609 -26.220 -0.926 1.00 0.00 C ATOM 0 H VAL A 49 -5.396 -23.673 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.886 -24.075 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.141 -24.823 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.935 -27.110 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.005 -26.024 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.700 -27.226 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.249 -26.798 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.899 -26.887 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.065 -25.472 -0.349 1.00 0.00 H new ATOM 817 N GLU A 50 -1.482 -25.787 -3.385 1.00 0.00 N ATOM 818 CA GLU A 50 -0.384 -26.524 -4.061 1.00 0.00 C ATOM 819 C GLU A 50 0.200 -25.746 -5.248 1.00 0.00 C ATOM 820 O GLU A 50 1.414 -25.696 -5.432 1.00 0.00 O ATOM 821 CB GLU A 50 -0.785 -27.949 -4.489 1.00 0.00 C ATOM 822 CG GLU A 50 -1.255 -28.825 -3.330 1.00 0.00 C ATOM 823 CD GLU A 50 -1.322 -30.305 -3.698 1.00 0.00 C ATOM 824 OE1 GLU A 50 -1.536 -30.628 -4.887 1.00 0.00 O ATOM 825 OE2 GLU A 50 -1.148 -31.147 -2.788 1.00 0.00 O ATOM 0 H GLU A 50 -1.203 -25.443 -2.466 1.00 0.00 H new ATOM 0 HA GLU A 50 0.398 -26.623 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.580 -27.886 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.066 -28.427 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.579 -28.695 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.240 -28.491 -3.004 1.00 0.00 H new ATOM 832 N LYS A 51 -0.659 -25.112 -6.030 1.00 0.00 N ATOM 833 CA LYS A 51 -0.249 -24.297 -7.177 1.00 0.00 C ATOM 834 C LYS A 51 -0.293 -22.819 -6.766 1.00 0.00 C ATOM 835 O LYS A 51 -0.463 -21.933 -7.604 1.00 0.00 O ATOM 836 CB LYS A 51 -1.174 -24.588 -8.377 1.00 0.00 C ATOM 837 CG LYS A 51 -2.641 -24.310 -8.084 1.00 0.00 C ATOM 838 CD LYS A 51 -3.584 -24.727 -9.187 1.00 0.00 C ATOM 839 CE LYS A 51 -5.015 -24.449 -8.727 1.00 0.00 C ATOM 840 NZ LYS A 51 -6.064 -24.920 -9.680 1.00 0.00 N ATOM 0 H LYS A 51 -1.669 -25.145 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 51 0.768 -24.542 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.858 -23.982 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.060 -25.632 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.921 -24.828 -7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.767 -23.243 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.366 -24.176 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.457 -25.785 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.175 -24.929 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.134 -23.376 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.967 -25.029 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.176 -24.224 -10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.780 -25.835 -10.084 1.00 0.00 H new ATOM 854 N VAL A 52 -0.124 -22.582 -5.468 1.00 0.00 N ATOM 855 CA VAL A 52 -0.173 -21.237 -4.865 1.00 0.00 C ATOM 856 C VAL A 52 0.808 -20.280 -5.534 1.00 0.00 C ATOM 857 O VAL A 52 0.496 -19.115 -5.751 1.00 0.00 O ATOM 858 CB VAL A 52 0.165 -21.303 -3.315 1.00 0.00 C ATOM 859 CG1 VAL A 52 -0.106 -19.950 -2.600 1.00 0.00 C ATOM 860 CG2 VAL A 52 -0.645 -22.402 -2.633 1.00 0.00 C ATOM 0 H VAL A 52 0.054 -23.323 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.187 -20.865 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 52 1.229 -21.526 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.139 -20.042 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.511 -19.171 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.158 -19.686 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.398 -22.430 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.709 -22.198 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.407 -23.364 -3.087 1.00 0.00 H new ATOM 870 N HIS A 53 2.002 -20.786 -5.848 1.00 0.00 N ATOM 871 CA HIS A 53 3.073 -19.977 -6.453 1.00 0.00 C ATOM 872 C HIS A 53 3.229 -18.669 -5.677 1.00 0.00 C ATOM 873 O HIS A 53 3.213 -17.577 -6.261 1.00 0.00 O ATOM 874 CB HIS A 53 2.783 -19.662 -7.927 1.00 0.00 C ATOM 875 CG HIS A 53 2.882 -20.847 -8.834 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.826 -21.642 -9.189 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.954 -21.371 -9.487 1.00 0.00 C ATOM 878 CE1 HIS A 53 2.267 -22.575 -10.022 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.560 -22.451 -10.249 1.00 0.00 N ATOM 0 H HIS A 53 2.257 -21.761 -5.693 1.00 0.00 H new ATOM 0 HA HIS A 53 3.995 -20.556 -6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.782 -19.239 -8.007 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.480 -18.897 -8.268 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.864 -21.535 -8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.965 -20.997 -9.419 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.644 -23.341 -10.460 1.00 0.00 H new ATOM 887 N LEU A 54 3.370 -18.783 -4.363 1.00 0.00 N ATOM 888 CA LEU A 54 3.448 -17.611 -3.496 1.00 0.00 C ATOM 889 C LEU A 54 4.515 -16.612 -3.936 1.00 0.00 C ATOM 890 O LEU A 54 4.343 -15.441 -3.736 1.00 0.00 O ATOM 891 CB LEU A 54 3.584 -18.010 -2.006 1.00 0.00 C ATOM 892 CG LEU A 54 4.880 -18.541 -1.341 1.00 0.00 C ATOM 893 CD1 LEU A 54 5.554 -19.676 -2.121 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.889 -17.426 -1.062 1.00 0.00 C ATOM 0 H LEU A 54 3.433 -19.675 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 54 2.499 -17.085 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.293 -17.130 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.824 -18.771 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 54 4.548 -18.958 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.454 -19.995 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.866 -20.517 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.822 -19.324 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.779 -17.849 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.165 -16.942 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.443 -16.691 -0.392 1.00 0.00 H new ATOM 906 N GLU A 55 5.593 -17.060 -4.562 1.00 0.00 N ATOM 907 CA GLU A 55 6.620 -16.133 -5.050 1.00 0.00 C ATOM 908 C GLU A 55 6.042 -15.165 -6.085 1.00 0.00 C ATOM 909 O GLU A 55 6.303 -13.962 -6.043 1.00 0.00 O ATOM 910 CB GLU A 55 7.769 -16.915 -5.694 1.00 0.00 C ATOM 911 CG GLU A 55 8.603 -17.709 -4.704 1.00 0.00 C ATOM 912 CD GLU A 55 9.251 -16.817 -3.659 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.094 -17.102 -2.456 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.907 -15.825 -4.045 1.00 0.00 O ATOM 0 H GLU A 55 5.784 -18.045 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 55 6.986 -15.563 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.359 -17.598 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.418 -16.218 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.972 -18.447 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.376 -18.259 -5.241 1.00 0.00 H new ATOM 921 N LYS A 56 5.245 -15.691 -7.008 1.00 0.00 N ATOM 922 CA LYS A 56 4.641 -14.868 -8.060 1.00 0.00 C ATOM 923 C LYS A 56 3.620 -13.953 -7.425 1.00 0.00 C ATOM 924 O LYS A 56 3.575 -12.763 -7.717 1.00 0.00 O ATOM 925 CB LYS A 56 3.913 -15.726 -9.102 1.00 0.00 C ATOM 926 CG LYS A 56 4.790 -16.689 -9.879 1.00 0.00 C ATOM 927 CD LYS A 56 3.924 -17.477 -10.859 1.00 0.00 C ATOM 928 CE LYS A 56 4.713 -18.574 -11.559 1.00 0.00 C ATOM 929 NZ LYS A 56 3.791 -19.470 -12.345 1.00 0.00 N ATOM 0 H LYS A 56 5.000 -16.680 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 56 5.438 -14.312 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.134 -16.297 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.415 -15.063 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.564 -16.142 -10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.298 -17.369 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.083 -17.919 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.508 -16.798 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.452 -18.129 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.260 -19.162 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.347 -20.212 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.102 -19.909 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.288 -18.908 -13.061 1.00 0.00 H new ATOM 943 N LYS A 57 2.805 -14.520 -6.546 1.00 0.00 N ATOM 944 CA LYS A 57 1.765 -13.736 -5.891 1.00 0.00 C ATOM 945 C LYS A 57 2.386 -12.599 -5.096 1.00 0.00 C ATOM 946 O LYS A 57 1.947 -11.467 -5.210 1.00 0.00 O ATOM 947 CB LYS A 57 0.892 -14.614 -4.996 1.00 0.00 C ATOM 948 CG LYS A 57 -0.186 -13.806 -4.320 1.00 0.00 C ATOM 949 CD LYS A 57 -1.395 -14.631 -3.935 1.00 0.00 C ATOM 950 CE LYS A 57 -2.335 -13.800 -3.063 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.681 -12.486 -3.719 1.00 0.00 N ATOM 0 H LYS A 57 2.841 -15.502 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 57 1.122 -13.310 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.437 -15.405 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.512 -15.099 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.226 -13.338 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.500 -13.002 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.917 -14.967 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.080 -15.525 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.248 -14.364 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.867 -13.613 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.410 -12.000 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.830 -11.890 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.041 -12.661 -4.679 1.00 0.00 H new ATOM 965 N LEU A 58 3.419 -12.895 -4.320 1.00 0.00 N ATOM 966 CA LEU A 58 4.116 -11.868 -3.553 1.00 0.00 C ATOM 967 C LEU A 58 4.652 -10.824 -4.509 1.00 0.00 C ATOM 968 O LEU A 58 4.487 -9.636 -4.285 1.00 0.00 O ATOM 969 CB LEU A 58 5.294 -12.455 -2.762 1.00 0.00 C ATOM 970 CG LEU A 58 5.081 -12.713 -1.261 1.00 0.00 C ATOM 971 CD1 LEU A 58 3.985 -13.725 -0.975 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.396 -13.198 -0.647 1.00 0.00 C ATOM 0 H LEU A 58 3.794 -13.836 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 58 3.409 -11.432 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.576 -13.399 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.142 -11.779 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 58 4.762 -11.771 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.887 -13.860 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.041 -13.364 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.240 -14.678 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.254 -13.383 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.708 -14.120 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.164 -12.437 -0.783 1.00 0.00 H new ATOM 984 N ARG A 59 5.288 -11.263 -5.587 1.00 0.00 N ATOM 985 CA ARG A 59 5.868 -10.321 -6.541 1.00 0.00 C ATOM 986 C ARG A 59 4.832 -9.317 -7.021 1.00 0.00 C ATOM 987 O ARG A 59 5.088 -8.112 -7.020 1.00 0.00 O ATOM 988 CB ARG A 59 6.446 -11.069 -7.751 1.00 0.00 C ATOM 989 CG ARG A 59 7.580 -10.349 -8.442 1.00 0.00 C ATOM 990 CD ARG A 59 8.879 -10.597 -7.690 1.00 0.00 C ATOM 991 NE ARG A 59 10.037 -10.013 -8.383 1.00 0.00 N ATOM 992 CZ ARG A 59 11.304 -10.169 -8.013 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.644 -10.882 -6.967 1.00 0.00 N ATOM 994 NH2 ARG A 59 12.245 -9.603 -8.718 1.00 0.00 N ATOM 0 H ARG A 59 5.415 -12.247 -5.822 1.00 0.00 H new ATOM 0 HA ARG A 59 6.666 -9.785 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.798 -12.048 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.647 -11.242 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.672 -10.698 -9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.372 -9.280 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.805 -10.174 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.030 -11.670 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 59 9.854 -9.445 -9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.925 -11.340 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.627 -10.979 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.004 -9.050 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.222 -9.714 -8.447 1.00 0.00 H new ATOM 1008 N ASP A 60 3.681 -9.813 -7.434 1.00 0.00 N ATOM 1009 CA ASP A 60 2.641 -8.968 -8.013 1.00 0.00 C ATOM 1010 C ASP A 60 1.842 -8.143 -6.993 1.00 0.00 C ATOM 1011 O ASP A 60 1.554 -6.976 -7.237 1.00 0.00 O ATOM 1012 CB ASP A 60 1.690 -9.839 -8.841 1.00 0.00 C ATOM 1013 CG ASP A 60 2.382 -10.471 -10.054 1.00 0.00 C ATOM 1014 OD1 ASP A 60 3.424 -9.936 -10.508 1.00 0.00 O ATOM 1015 OD2 ASP A 60 1.880 -11.500 -10.560 1.00 0.00 O ATOM 0 H ASP A 60 3.437 -10.802 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 60 3.154 -8.236 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.280 -10.627 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.850 -9.233 -9.180 1.00 0.00 H new ATOM 1020 N GLU A 61 1.487 -8.716 -5.852 1.00 0.00 N ATOM 1021 CA GLU A 61 0.689 -7.980 -4.862 1.00 0.00 C ATOM 1022 C GLU A 61 1.544 -6.871 -4.201 1.00 0.00 C ATOM 1023 O GLU A 61 1.117 -5.696 -4.070 1.00 0.00 O ATOM 1024 CB GLU A 61 0.064 -8.973 -3.854 1.00 0.00 C ATOM 1025 CG GLU A 61 1.014 -9.544 -2.787 1.00 0.00 C ATOM 1026 CD GLU A 61 0.466 -10.786 -2.084 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.216 -11.365 -1.263 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.692 -11.193 -2.347 1.00 0.00 O ATOM 0 H GLU A 61 1.730 -9.670 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.141 -7.468 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.761 -8.473 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.364 -9.805 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.966 -9.792 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.216 -8.774 -2.042 1.00 0.00 H new ATOM 1035 N ILE A 62 2.772 -7.223 -3.828 1.00 0.00 N ATOM 1036 CA ILE A 62 3.717 -6.255 -3.303 1.00 0.00 C ATOM 1037 C ILE A 62 3.986 -5.224 -4.396 1.00 0.00 C ATOM 1038 O ILE A 62 4.152 -4.059 -4.082 1.00 0.00 O ATOM 1039 CB ILE A 62 5.063 -6.913 -2.828 1.00 0.00 C ATOM 1040 CG1 ILE A 62 4.797 -7.979 -1.745 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.004 -5.860 -2.216 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.034 -8.808 -1.351 1.00 0.00 C ATOM 0 H ILE A 62 3.132 -8.176 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 62 3.283 -5.788 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 62 5.523 -7.367 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.407 -7.486 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.020 -8.655 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.928 -6.341 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.231 -5.098 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.520 -5.395 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.758 -9.533 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.414 -9.333 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.807 -8.146 -0.962 1.00 0.00 H new ATOM 1054 N ASN A 63 4.012 -5.615 -5.669 1.00 0.00 N ATOM 1055 CA ASN A 63 4.199 -4.621 -6.737 1.00 0.00 C ATOM 1056 C ASN A 63 3.052 -3.621 -6.734 1.00 0.00 C ATOM 1057 O ASN A 63 3.295 -2.428 -6.765 1.00 0.00 O ATOM 1058 CB ASN A 63 4.304 -5.260 -8.127 1.00 0.00 C ATOM 1059 CG ASN A 63 4.455 -4.231 -9.223 1.00 0.00 C ATOM 1060 OD1 ASN A 63 3.492 -3.647 -9.684 1.00 0.00 O ATOM 1061 ND2 ASN A 63 5.670 -4.006 -9.642 1.00 0.00 N ATOM 0 H ASN A 63 3.910 -6.579 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 63 5.142 -4.116 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.157 -5.938 -8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.414 -5.861 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.837 -3.321 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.453 -4.515 -9.232 1.00 0.00 H new ATOM 1068 N LEU A 64 1.815 -4.091 -6.676 1.00 0.00 N ATOM 1069 CA LEU A 64 0.655 -3.193 -6.657 1.00 0.00 C ATOM 1070 C LEU A 64 0.716 -2.275 -5.437 1.00 0.00 C ATOM 1071 O LEU A 64 0.510 -1.049 -5.539 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.642 -4.011 -6.632 1.00 0.00 C ATOM 1073 CG LEU A 64 -0.973 -4.761 -7.933 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.024 -5.828 -7.656 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -1.480 -3.796 -9.013 1.00 0.00 C ATOM 0 H LEU A 64 1.582 -5.083 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 64 0.672 -2.581 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.579 -4.736 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.470 -3.341 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.061 -5.232 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.257 -6.358 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.640 -6.534 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.928 -5.357 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.706 -4.354 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.382 -3.296 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.712 -3.052 -9.225 1.00 0.00 H new ATOM 1087 N ALA A 65 1.022 -2.846 -4.281 1.00 0.00 N ATOM 1088 CA ALA A 65 1.145 -2.027 -3.073 1.00 0.00 C ATOM 1089 C ALA A 65 2.314 -1.016 -3.207 1.00 0.00 C ATOM 1090 O ALA A 65 2.270 0.102 -2.679 1.00 0.00 O ATOM 1091 CB ALA A 65 1.337 -2.927 -1.877 1.00 0.00 C ATOM 0 H ALA A 65 1.187 -3.844 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 65 0.231 -1.449 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.429 -2.320 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.479 -3.592 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.242 -3.520 -2.009 1.00 0.00 H new ATOM 1097 N LYS A 66 3.359 -1.402 -3.925 1.00 0.00 N ATOM 1098 CA LYS A 66 4.507 -0.520 -4.153 1.00 0.00 C ATOM 1099 C LYS A 66 4.155 0.574 -5.150 1.00 0.00 C ATOM 1100 O LYS A 66 4.690 1.676 -5.066 1.00 0.00 O ATOM 1101 CB LYS A 66 5.713 -1.318 -4.649 1.00 0.00 C ATOM 1102 CG LYS A 66 7.051 -0.628 -4.397 1.00 0.00 C ATOM 1103 CD LYS A 66 8.119 -1.629 -3.942 1.00 0.00 C ATOM 1104 CE LYS A 66 7.873 -2.097 -2.493 1.00 0.00 C ATOM 1105 NZ LYS A 66 8.901 -3.095 -2.036 1.00 0.00 N ATOM 0 H LYS A 66 3.441 -2.320 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 66 4.767 -0.053 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.719 -2.292 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.603 -1.499 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.382 -0.129 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.927 0.144 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.119 -2.491 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.105 -1.169 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.886 -1.234 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.880 -2.541 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.696 -3.381 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.872 -3.931 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.847 -2.664 -2.080 1.00 0.00 H new ATOM 1119 N GLN A 67 3.246 0.288 -6.072 1.00 0.00 N ATOM 1120 CA GLN A 67 2.765 1.316 -6.984 1.00 0.00 C ATOM 1121 C GLN A 67 2.041 2.323 -6.110 1.00 0.00 C ATOM 1122 O GLN A 67 2.292 3.520 -6.231 1.00 0.00 O ATOM 1123 CB GLN A 67 1.846 0.762 -8.082 1.00 0.00 C ATOM 1124 CG GLN A 67 2.575 -0.089 -9.131 1.00 0.00 C ATOM 1125 CD GLN A 67 3.697 0.665 -9.820 1.00 0.00 C ATOM 1126 OE1 GLN A 67 4.857 0.290 -9.736 1.00 0.00 O ATOM 1127 NE2 GLN A 67 3.358 1.735 -10.495 1.00 0.00 N ATOM 0 H GLN A 67 2.832 -0.634 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 67 3.596 1.766 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.065 0.160 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.352 1.594 -8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.982 -0.979 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.858 -0.429 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.379 2.019 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.073 2.285 -10.972 1.00 0.00 H new ATOM 1136 N GLU A 68 1.181 1.871 -5.197 1.00 0.00 N ATOM 1137 CA GLU A 68 0.644 2.819 -4.229 1.00 0.00 C ATOM 1138 C GLU A 68 1.720 3.518 -3.377 1.00 0.00 C ATOM 1139 O GLU A 68 1.654 4.719 -3.160 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.359 2.141 -3.303 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.129 3.150 -2.488 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.635 4.263 -3.375 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.383 3.950 -4.311 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.273 5.426 -3.175 1.00 0.00 O ATOM 0 H GLU A 68 0.857 0.908 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 68 0.153 3.589 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.053 1.542 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.165 1.457 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.967 2.662 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.490 3.561 -1.706 1.00 0.00 H new ATOM 1151 N ALA A 69 2.721 2.793 -2.899 1.00 0.00 N ATOM 1152 CA ALA A 69 3.776 3.436 -2.100 1.00 0.00 C ATOM 1153 C ALA A 69 4.443 4.621 -2.851 1.00 0.00 C ATOM 1154 O ALA A 69 4.717 5.674 -2.256 1.00 0.00 O ATOM 1155 CB ALA A 69 4.824 2.400 -1.689 1.00 0.00 C ATOM 0 H ALA A 69 2.833 1.789 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 69 3.308 3.850 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.602 2.884 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.350 1.619 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.268 1.958 -2.581 1.00 0.00 H new ATOM 1161 N GLN A 70 4.688 4.457 -4.145 1.00 0.00 N ATOM 1162 CA GLN A 70 5.270 5.530 -4.961 1.00 0.00 C ATOM 1163 C GLN A 70 4.321 6.729 -5.033 1.00 0.00 C ATOM 1164 O GLN A 70 4.755 7.886 -4.927 1.00 0.00 O ATOM 1165 CB GLN A 70 5.579 5.009 -6.374 1.00 0.00 C ATOM 1166 CG GLN A 70 5.888 6.097 -7.422 1.00 0.00 C ATOM 1167 CD GLN A 70 7.033 7.021 -7.027 1.00 0.00 C ATOM 1168 OE1 GLN A 70 8.040 6.599 -6.466 1.00 0.00 O ATOM 1169 NE2 GLN A 70 6.886 8.279 -7.331 1.00 0.00 N ATOM 0 H GLN A 70 4.495 3.596 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 70 6.199 5.856 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.430 4.331 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.728 4.423 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.131 5.617 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.991 6.694 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.036 8.595 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.621 8.948 -7.103 1.00 0.00 H new ATOM 1178 N ARG A 71 3.032 6.458 -5.196 1.00 0.00 N ATOM 1179 CA ARG A 71 2.039 7.528 -5.246 1.00 0.00 C ATOM 1180 C ARG A 71 2.057 8.300 -3.932 1.00 0.00 C ATOM 1181 O ARG A 71 2.053 9.517 -3.930 1.00 0.00 O ATOM 1182 CB ARG A 71 0.640 6.965 -5.528 1.00 0.00 C ATOM 1183 CG ARG A 71 0.401 6.651 -7.003 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.086 6.446 -7.313 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.622 5.171 -6.804 1.00 0.00 N ATOM 1186 CZ ARG A 71 -2.296 4.277 -7.518 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -2.598 4.459 -8.781 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.693 3.182 -6.943 1.00 0.00 N ATOM 0 H ARG A 71 2.651 5.517 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 71 2.291 8.206 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.497 6.057 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.108 7.683 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.790 7.465 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.956 5.754 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.656 7.269 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.233 6.488 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.462 4.957 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.313 5.316 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.118 3.744 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.486 3.019 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.212 2.485 -7.477 1.00 0.00 H new ATOM 1202 N LEU A 72 2.116 7.601 -2.810 1.00 0.00 N ATOM 1203 CA LEU A 72 2.169 8.254 -1.508 1.00 0.00 C ATOM 1204 C LEU A 72 3.470 9.032 -1.363 1.00 0.00 C ATOM 1205 O LEU A 72 3.493 10.113 -0.777 1.00 0.00 O ATOM 1206 CB LEU A 72 1.997 7.215 -0.410 1.00 0.00 C ATOM 1207 CG LEU A 72 0.513 6.826 -0.305 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.366 5.399 0.146 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.221 7.768 0.657 1.00 0.00 C ATOM 0 H LEU A 72 2.128 6.582 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 72 1.353 8.972 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.601 6.334 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.348 7.614 0.542 1.00 0.00 H new ATOM 0 HG LEU A 72 0.065 6.920 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.692 5.146 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.852 4.739 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.831 5.277 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.270 7.479 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.233 7.704 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.148 8.792 0.290 1.00 0.00 H new ATOM 1221 N LYS A 73 4.553 8.503 -1.915 1.00 0.00 N ATOM 1222 CA LYS A 73 5.837 9.211 -1.899 1.00 0.00 C ATOM 1223 C LYS A 73 5.755 10.524 -2.693 1.00 0.00 C ATOM 1224 O LYS A 73 6.158 11.587 -2.185 1.00 0.00 O ATOM 1225 CB LYS A 73 6.937 8.289 -2.460 1.00 0.00 C ATOM 1226 CG LYS A 73 8.356 8.854 -2.452 1.00 0.00 C ATOM 1227 CD LYS A 73 8.688 9.558 -3.772 1.00 0.00 C ATOM 1228 CE LYS A 73 10.169 9.856 -3.874 1.00 0.00 C ATOM 1229 NZ LYS A 73 10.447 10.726 -5.061 1.00 0.00 N ATOM 0 H LYS A 73 4.575 7.594 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 73 6.085 9.472 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.933 7.362 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.677 8.030 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.464 9.557 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.069 8.048 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.382 8.931 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.121 10.486 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.510 10.351 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.729 8.925 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.465 10.935 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.155 10.233 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.915 11.615 -4.972 1.00 0.00 H new ATOM 1243 N GLU A 74 5.259 10.480 -3.924 1.00 0.00 N ATOM 1244 CA GLU A 74 5.221 11.708 -4.732 1.00 0.00 C ATOM 1245 C GLU A 74 4.163 12.684 -4.215 1.00 0.00 C ATOM 1246 O GLU A 74 4.344 13.895 -4.303 1.00 0.00 O ATOM 1247 CB GLU A 74 5.066 11.413 -6.236 1.00 0.00 C ATOM 1248 CG GLU A 74 3.723 10.856 -6.695 1.00 0.00 C ATOM 1249 CD GLU A 74 3.765 10.435 -8.165 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.061 11.048 -9.006 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.530 9.486 -8.485 1.00 0.00 O ATOM 0 H GLU A 74 4.889 9.645 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 74 6.188 12.198 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.256 12.336 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.843 10.705 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.453 9.999 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.948 11.609 -6.553 1.00 0.00 H new ATOM 1258 N LEU A 75 3.085 12.164 -3.642 1.00 0.00 N ATOM 1259 CA LEU A 75 2.060 13.004 -3.026 1.00 0.00 C ATOM 1260 C LEU A 75 2.659 13.749 -1.839 1.00 0.00 C ATOM 1261 O LEU A 75 2.452 14.954 -1.669 1.00 0.00 O ATOM 1262 CB LEU A 75 0.900 12.130 -2.546 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.285 12.851 -1.898 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -0.967 13.775 -2.888 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.267 11.804 -1.353 1.00 0.00 C ATOM 0 H LEU A 75 2.896 11.163 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 75 1.693 13.722 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.527 11.562 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.292 11.409 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 75 0.074 13.470 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.805 14.274 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.254 14.521 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.332 13.195 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.115 12.307 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.621 11.176 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.763 11.184 -0.611 1.00 0.00 H new ATOM 1277 N ARG A 76 3.422 13.026 -1.029 1.00 0.00 N ATOM 1278 CA ARG A 76 4.103 13.609 0.128 1.00 0.00 C ATOM 1279 C ARG A 76 5.076 14.694 -0.324 1.00 0.00 C ATOM 1280 O ARG A 76 5.282 15.687 0.374 1.00 0.00 O ATOM 1281 CB ARG A 76 4.840 12.501 0.894 1.00 0.00 C ATOM 1282 CG ARG A 76 5.882 12.994 1.868 1.00 0.00 C ATOM 1283 CD ARG A 76 7.282 12.893 1.285 1.00 0.00 C ATOM 1284 NE ARG A 76 8.200 13.836 1.941 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.477 14.007 1.625 1.00 0.00 C ATOM 1286 NH1 ARG A 76 10.062 13.327 0.668 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.176 14.888 2.284 1.00 0.00 N ATOM 0 H ARG A 76 3.588 12.027 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 76 3.369 14.069 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.107 11.905 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.320 11.838 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.672 14.030 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.827 12.411 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.656 11.876 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.249 13.098 0.215 1.00 0.00 H new ATOM 0 HE ARG A 76 7.825 14.404 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.532 12.637 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.047 13.489 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.740 15.432 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.159 15.033 2.055 1.00 0.00 H new ATOM 1301 N GLU A 77 5.677 14.516 -1.490 1.00 0.00 N ATOM 1302 CA GLU A 77 6.608 15.521 -2.014 1.00 0.00 C ATOM 1303 C GLU A 77 5.872 16.714 -2.648 1.00 0.00 C ATOM 1304 O GLU A 77 6.500 17.633 -3.183 1.00 0.00 O ATOM 1305 CB GLU A 77 7.577 14.868 -3.007 1.00 0.00 C ATOM 1306 CG GLU A 77 8.606 14.014 -2.280 1.00 0.00 C ATOM 1307 CD GLU A 77 9.598 13.320 -3.191 1.00 0.00 C ATOM 1308 OE1 GLU A 77 9.392 13.254 -4.421 1.00 0.00 O ATOM 1309 OE2 GLU A 77 10.609 12.809 -2.653 1.00 0.00 O ATOM 0 H GLU A 77 5.545 13.701 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 77 7.181 15.921 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.020 14.252 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.083 15.639 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.154 14.644 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.084 13.261 -1.690 1.00 0.00 H new ATOM 1316 N GLY A 78 4.548 16.705 -2.572 1.00 0.00 N ATOM 1317 CA GLY A 78 3.744 17.783 -3.118 1.00 0.00 C ATOM 1318 C GLY A 78 3.677 19.046 -2.269 1.00 0.00 C ATOM 1319 O GLY A 78 4.228 19.143 -1.167 1.00 0.00 O ATOM 0 H GLY A 78 4.009 15.958 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.139 18.046 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.730 17.415 -3.271 1.00 0.00 H new ATOM 1323 N THR A 79 2.982 20.035 -2.808 1.00 0.00 N ATOM 1324 CA THR A 79 2.824 21.345 -2.178 1.00 0.00 C ATOM 1325 C THR A 79 1.368 21.586 -1.776 1.00 0.00 C ATOM 1326 O THR A 79 0.481 20.817 -2.129 1.00 0.00 O ATOM 1327 CB THR A 79 3.271 22.472 -3.144 1.00 0.00 C ATOM 1328 OG1 THR A 79 2.469 22.443 -4.328 1.00 0.00 O ATOM 1329 CG2 THR A 79 4.728 22.297 -3.554 1.00 0.00 C ATOM 0 H THR A 79 2.504 19.954 -3.706 1.00 0.00 H new ATOM 0 HA THR A 79 3.450 21.358 -1.286 1.00 0.00 H new ATOM 0 HB THR A 79 3.153 23.422 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.512 21.550 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.014 23.101 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.361 22.326 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.852 21.338 -4.057 1.00 0.00 H new ATOM 1337 N GLU A 80 1.138 22.657 -1.025 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.190 23.017 -0.510 1.00 0.00 C ATOM 1339 C GLU A 80 -1.148 23.547 -1.602 1.00 0.00 C ATOM 1340 O GLU A 80 -1.382 24.756 -1.720 1.00 0.00 O ATOM 1341 CB GLU A 80 0.003 24.064 0.599 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.227 24.377 1.456 1.00 0.00 C ATOM 1343 CD GLU A 80 -0.916 25.428 2.523 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.668 26.422 2.651 1.00 0.00 O ATOM 1345 OE2 GLU A 80 0.100 25.277 3.243 1.00 0.00 O ATOM 0 H GLU A 80 1.872 23.310 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.664 22.116 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.801 23.722 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.345 24.991 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.035 24.734 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.579 23.464 1.936 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.694 22.640 -2.403 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.672 22.984 -3.435 1.00 0.00 C ATOM 1354 C ASN A 81 -3.359 21.701 -3.904 1.00 0.00 C ATOM 1355 O ASN A 81 -2.893 20.618 -3.595 1.00 0.00 O ATOM 1356 CB ASN A 81 -1.992 23.675 -4.621 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.902 24.636 -5.313 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.669 24.262 -6.193 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -2.840 25.875 -4.921 1.00 0.00 N ATOM 0 H ASN A 81 -1.473 21.645 -2.358 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.406 23.674 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.106 24.204 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.653 22.922 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.444 26.576 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.187 26.145 -4.185 1.00 0.00 H new ATOM 1366 N GLU A 82 -4.447 21.834 -4.651 1.00 0.00 N ATOM 1367 CA GLU A 82 -5.197 20.677 -5.169 1.00 0.00 C ATOM 1368 C GLU A 82 -5.186 20.689 -6.706 1.00 0.00 C ATOM 1369 O GLU A 82 -5.788 19.851 -7.367 1.00 0.00 O ATOM 1370 CB GLU A 82 -6.635 20.717 -4.610 1.00 0.00 C ATOM 1371 CG GLU A 82 -7.493 19.457 -4.857 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.799 18.181 -4.402 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -6.769 17.194 -5.172 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.274 18.167 -3.277 1.00 0.00 O ATOM 0 H GLU A 82 -4.840 22.737 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.726 19.749 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.581 20.891 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.149 21.574 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.442 19.558 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.725 19.382 -5.919 1.00 0.00 H new ATOM 1381 N ARG A 83 -4.497 21.662 -7.292 1.00 0.00 N ATOM 1382 CA ARG A 83 -4.416 21.724 -8.753 1.00 0.00 C ATOM 1383 C ARG A 83 -3.119 22.303 -9.286 1.00 0.00 C ATOM 1384 O ARG A 83 -2.472 21.682 -10.126 1.00 0.00 O ATOM 1385 CB ARG A 83 -5.617 22.500 -9.301 1.00 0.00 C ATOM 1386 CG ARG A 83 -6.097 21.975 -10.642 1.00 0.00 C ATOM 1387 CD ARG A 83 -7.405 22.638 -11.044 1.00 0.00 C ATOM 1388 NE ARG A 83 -7.998 21.986 -12.224 1.00 0.00 N ATOM 1389 CZ ARG A 83 -9.156 22.319 -12.783 1.00 0.00 C ATOM 1390 NH1 ARG A 83 -9.903 23.292 -12.319 1.00 0.00 N ATOM 1391 NH2 ARG A 83 -9.577 21.652 -13.822 1.00 0.00 N ATOM 0 H ARG A 83 -3.998 22.401 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.435 20.692 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.435 22.449 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.348 23.551 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.340 22.163 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.233 20.895 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.107 22.595 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.229 23.692 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.478 21.217 -12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.600 23.822 -11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.787 23.519 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.019 20.885 -14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.465 21.898 -14.260 1.00 0.00 H new ATOM 1405 N SER A 84 -2.731 23.479 -8.810 1.00 0.00 N ATOM 1406 CA SER A 84 -1.514 24.158 -9.279 1.00 0.00 C ATOM 1407 C SER A 84 -0.286 23.295 -9.020 1.00 0.00 C ATOM 1408 O SER A 84 0.203 23.243 -7.904 1.00 0.00 O ATOM 1409 CB SER A 84 -1.360 25.497 -8.562 1.00 0.00 C ATOM 1410 OG SER A 84 -2.521 26.286 -8.753 1.00 0.00 O ATOM 0 H SER A 84 -3.242 23.993 -8.092 1.00 0.00 H new ATOM 0 HA SER A 84 -1.603 24.327 -10.352 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.194 25.332 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.485 26.024 -8.943 1.00 0.00 H new ATOM 0 HG SER A 84 -2.415 27.142 -8.288 1.00 0.00 H new ATOM 1416 N ARG A 85 0.167 22.604 -10.068 1.00 0.00 N ATOM 1417 CA ARG A 85 1.246 21.597 -10.006 1.00 0.00 C ATOM 1418 C ARG A 85 0.883 20.460 -9.047 1.00 0.00 C ATOM 1419 O ARG A 85 1.740 19.699 -8.649 1.00 0.00 O ATOM 1420 CB ARG A 85 2.599 22.209 -9.606 1.00 0.00 C ATOM 1421 CG ARG A 85 3.103 23.279 -10.555 1.00 0.00 C ATOM 1422 CD ARG A 85 4.554 23.607 -10.241 1.00 0.00 C ATOM 1423 NE ARG A 85 5.096 24.636 -11.146 1.00 0.00 N ATOM 1424 CZ ARG A 85 6.364 25.031 -11.179 1.00 0.00 C ATOM 1425 NH1 ARG A 85 7.276 24.526 -10.383 1.00 0.00 N ATOM 1426 NH2 ARG A 85 6.724 25.947 -12.037 1.00 0.00 N ATOM 0 H ARG A 85 -0.210 22.727 -11.008 1.00 0.00 H new ATOM 0 HA ARG A 85 1.351 21.195 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.510 22.637 -8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.341 21.413 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.014 22.935 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.490 24.176 -10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.633 23.953 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.156 22.702 -10.320 1.00 0.00 H new ATOM 0 HE ARG A 85 4.448 25.079 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.021 23.804 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.240 24.855 -10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.035 26.350 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.694 26.259 -12.073 1.00 0.00 H new ATOM 1440 N GLN A 86 -0.393 20.356 -8.702 1.00 0.00 N ATOM 1441 CA GLN A 86 -0.875 19.341 -7.762 1.00 0.00 C ATOM 1442 C GLN A 86 -2.026 18.585 -8.395 1.00 0.00 C ATOM 1443 O GLN A 86 -3.082 18.390 -7.800 1.00 0.00 O ATOM 1444 CB GLN A 86 -1.307 19.976 -6.437 1.00 0.00 C ATOM 1445 CG GLN A 86 -0.156 20.564 -5.626 1.00 0.00 C ATOM 1446 CD GLN A 86 0.915 19.553 -5.293 1.00 0.00 C ATOM 1447 OE1 GLN A 86 2.095 19.818 -5.477 1.00 0.00 O ATOM 1448 NE2 GLN A 86 0.524 18.408 -4.797 1.00 0.00 N ATOM 0 H GLN A 86 -1.125 20.969 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.063 18.648 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.032 20.763 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.816 19.224 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.291 21.386 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -0.550 20.985 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -0.470 18.225 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.213 17.698 -4.549 1.00 0.00 H new ATOM 1457 N LYS A 87 -1.789 18.164 -9.627 1.00 0.00 N ATOM 1458 CA LYS A 87 -2.743 17.353 -10.373 1.00 0.00 C ATOM 1459 C LYS A 87 -2.975 16.132 -9.491 1.00 0.00 C ATOM 1460 O LYS A 87 -2.033 15.648 -8.911 1.00 0.00 O ATOM 1461 CB LYS A 87 -2.114 16.947 -11.713 1.00 0.00 C ATOM 1462 CG LYS A 87 -2.999 16.086 -12.626 1.00 0.00 C ATOM 1463 CD LYS A 87 -2.169 15.030 -13.372 1.00 0.00 C ATOM 1464 CE LYS A 87 -1.792 13.885 -12.430 1.00 0.00 C ATOM 1465 NZ LYS A 87 -0.956 12.803 -13.054 1.00 0.00 N ATOM 0 H LYS A 87 -0.932 18.373 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.675 17.873 -10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.837 17.852 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.192 16.402 -11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.768 15.594 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.512 16.724 -13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.738 14.642 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.267 15.488 -13.778 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.250 14.297 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.707 13.438 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.002 11.946 -12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.318 12.590 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.031 13.123 -13.123 1.00 0.00 H new ATOM 1479 N TYR A 88 -4.222 15.686 -9.411 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.666 14.530 -8.612 1.00 0.00 C ATOM 1481 C TYR A 88 -4.209 14.401 -7.151 1.00 0.00 C ATOM 1482 O TYR A 88 -4.006 13.306 -6.702 1.00 0.00 O ATOM 1483 CB TYR A 88 -4.499 13.176 -9.388 1.00 0.00 C ATOM 1484 CG TYR A 88 -3.126 12.485 -9.579 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -3.008 11.455 -10.540 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.969 12.808 -8.823 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -1.769 10.787 -10.762 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.729 12.145 -9.057 1.00 0.00 C ATOM 1489 CZ TYR A 88 -0.640 11.150 -10.024 1.00 0.00 C ATOM 1490 OH TYR A 88 0.552 10.517 -10.275 1.00 0.00 O ATOM 0 H TYR A 88 -4.988 16.130 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.721 14.773 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.145 12.452 -8.892 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.907 13.337 -10.386 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.874 11.169 -11.118 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.029 13.568 -8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.703 10.001 -11.500 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.144 12.416 -8.482 1.00 0.00 H new ATOM 0 HH TYR A 88 1.245 10.878 -9.684 1.00 0.00 H new ATOM 1500 N ALA A 89 -4.055 15.479 -6.390 1.00 0.00 N ATOM 1501 CA ALA A 89 -3.533 15.295 -5.029 1.00 0.00 C ATOM 1502 C ALA A 89 -4.455 14.495 -4.058 1.00 0.00 C ATOM 1503 O ALA A 89 -4.082 13.420 -3.607 1.00 0.00 O ATOM 1504 CB ALA A 89 -3.200 16.665 -4.425 1.00 0.00 C ATOM 0 H ALA A 89 -4.268 16.438 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.642 14.677 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.812 16.533 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.449 17.161 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.102 17.276 -4.390 1.00 0.00 H new ATOM 1510 N GLU A 90 -5.660 14.951 -3.757 1.00 0.00 N ATOM 1511 CA GLU A 90 -6.510 14.177 -2.828 1.00 0.00 C ATOM 1512 C GLU A 90 -7.161 13.041 -3.594 1.00 0.00 C ATOM 1513 O GLU A 90 -7.632 12.042 -3.028 1.00 0.00 O ATOM 1514 CB GLU A 90 -7.529 15.061 -2.113 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.914 15.771 -0.897 1.00 0.00 C ATOM 1516 CD GLU A 90 -6.395 14.782 0.156 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -7.225 14.048 0.741 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -5.160 14.744 0.407 1.00 0.00 O ATOM 0 H GLU A 90 -6.070 15.813 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.890 13.756 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.918 15.804 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.374 14.453 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.094 16.409 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.661 16.422 -0.443 1.00 0.00 H new ATOM 1525 N GLU A 91 -7.141 13.176 -4.905 1.00 0.00 N ATOM 1526 CA GLU A 91 -7.544 12.092 -5.776 1.00 0.00 C ATOM 1527 C GLU A 91 -6.517 10.969 -5.572 1.00 0.00 C ATOM 1528 O GLU A 91 -6.849 9.808 -5.718 1.00 0.00 O ATOM 1529 CB GLU A 91 -7.557 12.556 -7.230 1.00 0.00 C ATOM 1530 CG GLU A 91 -8.041 11.512 -8.243 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.574 11.828 -9.657 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -7.893 12.927 -10.174 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -6.870 10.977 -10.253 1.00 0.00 O ATOM 0 H GLU A 91 -6.850 14.025 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.551 11.747 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.194 13.437 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.549 12.866 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.674 10.528 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.130 11.465 -8.223 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.277 11.295 -5.211 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.275 10.251 -4.995 1.00 0.00 C ATOM 1542 C GLU A 92 -4.689 9.432 -3.779 1.00 0.00 C ATOM 1543 O GLU A 92 -4.453 8.243 -3.715 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.882 10.843 -4.776 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.748 9.881 -5.036 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.334 9.850 -6.504 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.184 9.549 -7.371 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -0.146 10.118 -6.788 1.00 0.00 O ATOM 0 H GLU A 92 -4.947 12.249 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.224 9.621 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.763 11.710 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.810 11.201 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.890 10.162 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.046 8.880 -4.725 1.00 0.00 H new ATOM 1555 N LEU A 93 -5.335 10.066 -2.812 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.815 9.343 -1.636 1.00 0.00 C ATOM 1557 C LEU A 93 -6.984 8.437 -2.057 1.00 0.00 C ATOM 1558 O LEU A 93 -7.162 7.329 -1.527 1.00 0.00 O ATOM 1559 CB LEU A 93 -6.209 10.327 -0.525 1.00 0.00 C ATOM 1560 CG LEU A 93 -6.447 9.733 0.876 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -5.241 8.953 1.404 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.775 10.862 1.853 1.00 0.00 C ATOM 0 H LEU A 93 -5.539 11.065 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.023 8.715 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.426 11.081 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.118 10.843 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.277 9.032 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.468 8.558 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.017 8.128 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.378 9.616 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.944 10.446 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.942 11.564 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.673 11.382 1.520 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.766 8.874 -3.035 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.807 8.002 -3.598 1.00 0.00 C ATOM 1576 C GLU A 94 -8.117 6.837 -4.328 1.00 0.00 C ATOM 1577 O GLU A 94 -8.608 5.718 -4.324 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.758 8.766 -4.534 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.950 7.927 -5.054 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.933 7.527 -3.951 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -12.099 6.314 -3.696 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -12.538 8.420 -3.325 1.00 0.00 O ATOM 0 H GLU A 94 -7.709 9.803 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.429 7.618 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.145 9.638 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.190 9.136 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.482 8.497 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.569 7.027 -5.536 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.961 7.083 -4.925 1.00 0.00 N ATOM 1590 CA GLN A 95 -6.203 6.011 -5.566 1.00 0.00 C ATOM 1591 C GLN A 95 -5.590 5.072 -4.506 1.00 0.00 C ATOM 1592 O GLN A 95 -5.427 3.892 -4.771 1.00 0.00 O ATOM 1593 CB GLN A 95 -5.153 6.576 -6.534 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.797 7.258 -7.760 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.787 7.820 -8.742 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -3.919 7.104 -9.241 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -4.905 9.090 -9.038 1.00 0.00 N ATOM 0 H GLN A 95 -6.528 8.005 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.886 5.412 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.526 7.296 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.500 5.770 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.430 6.536 -8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.446 8.064 -7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.638 9.649 -8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.264 9.520 -9.704 1.00 0.00 H new ATOM 1606 N VAL A 96 -5.305 5.563 -3.301 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.899 4.677 -2.188 1.00 0.00 C ATOM 1608 C VAL A 96 -6.085 3.773 -1.884 1.00 0.00 C ATOM 1609 O VAL A 96 -5.941 2.557 -1.661 1.00 0.00 O ATOM 1610 CB VAL A 96 -4.538 5.450 -0.861 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -4.189 4.465 0.280 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -3.370 6.395 -1.061 1.00 0.00 C ATOM 0 H VAL A 96 -5.344 6.554 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.004 4.140 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.421 6.029 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.944 5.025 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.044 3.817 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.333 3.857 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.153 6.908 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.494 5.829 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.623 7.129 -1.826 1.00 0.00 H new ATOM 1622 N ARG A 97 -7.278 4.355 -1.885 1.00 0.00 N ATOM 1623 CA ARG A 97 -8.480 3.555 -1.636 1.00 0.00 C ATOM 1624 C ARG A 97 -8.604 2.499 -2.741 1.00 0.00 C ATOM 1625 O ARG A 97 -8.988 1.381 -2.460 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.736 4.435 -1.527 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.679 5.435 -0.359 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.612 6.633 -0.566 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.035 7.849 0.044 1.00 0.00 N ATOM 1630 CZ ARG A 97 -10.421 9.099 -0.197 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -11.371 9.406 -1.035 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -9.822 10.078 0.417 1.00 0.00 N ATOM 0 H ARG A 97 -7.442 5.348 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.389 3.051 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.869 4.983 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -10.610 3.795 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.948 4.924 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.656 5.792 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.774 6.795 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.586 6.424 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.273 7.718 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.859 8.670 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.626 10.383 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.067 9.882 1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.108 11.041 0.241 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.250 2.834 -3.975 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.249 1.848 -5.071 1.00 0.00 C ATOM 1648 C GLU A 98 -7.161 0.779 -4.876 1.00 0.00 C ATOM 1649 O GLU A 98 -7.410 -0.396 -5.113 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.046 2.529 -6.431 1.00 0.00 C ATOM 1651 CG GLU A 98 -9.260 3.295 -6.940 1.00 0.00 C ATOM 1652 CD GLU A 98 -10.370 2.365 -7.411 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.195 1.945 -6.568 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.417 2.043 -8.615 1.00 0.00 O ATOM 0 H GLU A 98 -7.960 3.772 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.225 1.363 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.203 3.216 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.776 1.771 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.640 3.939 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.959 3.945 -7.762 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.972 1.176 -4.430 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.882 0.235 -4.122 1.00 0.00 C ATOM 1663 C ALA A 99 -5.404 -0.774 -3.091 1.00 0.00 C ATOM 1664 O ALA A 99 -5.234 -1.990 -3.233 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.713 0.971 -3.565 1.00 0.00 C ATOM 0 H ALA A 99 -5.731 2.154 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.562 -0.280 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.913 0.266 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.361 1.700 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.009 1.486 -2.651 1.00 0.00 H new ATOM 1671 N LEU A 100 -6.053 -0.255 -2.053 1.00 0.00 N ATOM 1672 CA LEU A 100 -6.603 -1.111 -0.998 1.00 0.00 C ATOM 1673 C LEU A 100 -7.712 -2.020 -1.525 1.00 0.00 C ATOM 1674 O LEU A 100 -7.728 -3.217 -1.226 1.00 0.00 O ATOM 1675 CB LEU A 100 -7.146 -0.260 0.154 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.092 0.493 0.983 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -6.789 1.523 1.871 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -5.259 -0.460 1.850 1.00 0.00 C ATOM 0 H LEU A 100 -6.212 0.743 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.789 -1.740 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.847 0.468 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.713 -0.907 0.823 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.411 0.990 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.045 2.059 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.336 2.230 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.484 1.016 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.527 0.112 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.915 -0.994 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.742 -1.176 1.211 1.00 0.00 H new ATOM 1690 N ARG A 101 -8.629 -1.464 -2.313 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.734 -2.246 -2.886 1.00 0.00 C ATOM 1692 C ARG A 101 -9.193 -3.343 -3.773 1.00 0.00 C ATOM 1693 O ARG A 101 -9.698 -4.458 -3.765 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.671 -1.363 -3.710 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.564 -0.455 -2.879 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.069 0.687 -3.741 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.657 1.772 -2.942 1.00 0.00 N ATOM 1698 CZ ARG A 101 -12.629 3.060 -3.273 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.080 3.500 -4.370 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -13.160 3.938 -2.473 1.00 0.00 N ATOM 0 H ARG A 101 -8.633 -0.477 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 101 -10.294 -2.678 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.074 -0.749 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.299 -2.001 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.405 -1.022 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.009 -0.063 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.245 1.082 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.815 0.309 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.121 1.518 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.645 2.846 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.085 4.499 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.593 3.636 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.143 4.928 -2.719 1.00 0.00 H new ATOM 1714 N LYS A 102 -8.155 -3.037 -4.537 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.545 -4.031 -5.409 1.00 0.00 C ATOM 1716 C LYS A 102 -6.996 -5.157 -4.561 1.00 0.00 C ATOM 1717 O LYS A 102 -7.262 -6.311 -4.845 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.426 -3.405 -6.257 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.663 -4.402 -7.142 1.00 0.00 C ATOM 1720 CD LYS A 102 -6.534 -4.988 -8.254 1.00 0.00 C ATOM 1721 CE LYS A 102 -5.760 -6.012 -9.084 1.00 0.00 C ATOM 1722 NZ LYS A 102 -5.525 -7.291 -8.329 1.00 0.00 N ATOM 0 H LYS A 102 -7.720 -2.115 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.300 -4.419 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.858 -2.632 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.717 -2.912 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.801 -3.903 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.278 -5.212 -6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.414 -5.460 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.890 -4.186 -8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.312 -6.228 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.802 -5.586 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.298 -8.053 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.732 -7.163 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.382 -7.542 -7.797 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.244 -4.825 -3.524 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.640 -5.839 -2.664 1.00 0.00 C ATOM 1738 C ALA A 103 -6.688 -6.695 -1.934 1.00 0.00 C ATOM 1739 O ALA A 103 -6.623 -7.935 -1.939 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.721 -5.153 -1.644 1.00 0.00 C ATOM 0 H ALA A 103 -6.035 -3.864 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.067 -6.514 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.267 -5.906 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.938 -4.606 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.304 -4.460 -1.038 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.647 -6.044 -1.292 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.630 -6.783 -0.507 1.00 0.00 C ATOM 1748 C GLU A 104 -9.535 -7.637 -1.390 1.00 0.00 C ATOM 1749 O GLU A 104 -9.889 -8.745 -1.003 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.436 -5.841 0.407 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.469 -4.967 -0.296 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.978 -3.830 0.586 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.746 -3.868 1.815 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -11.604 -2.890 0.043 1.00 0.00 O ATOM 0 H GLU A 104 -7.767 -5.031 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.084 -7.471 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.947 -6.442 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.738 -5.193 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.029 -4.550 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.311 -5.585 -0.606 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.892 -7.152 -2.576 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.736 -7.929 -3.484 1.00 0.00 C ATOM 1763 C LYS A 105 -9.932 -9.048 -4.121 1.00 0.00 C ATOM 1764 O LYS A 105 -10.460 -10.114 -4.404 1.00 0.00 O ATOM 1765 CB LYS A 105 -11.350 -7.028 -4.564 1.00 0.00 C ATOM 1766 CG LYS A 105 -12.507 -7.665 -5.344 1.00 0.00 C ATOM 1767 CD LYS A 105 -13.721 -7.893 -4.443 1.00 0.00 C ATOM 1768 CE LYS A 105 -14.860 -8.559 -5.190 1.00 0.00 C ATOM 1769 NZ LYS A 105 -16.003 -8.801 -4.250 1.00 0.00 N ATOM 0 H LYS A 105 -9.615 -6.236 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.549 -8.368 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.707 -6.111 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.568 -6.742 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.785 -7.021 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.183 -8.615 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.432 -8.512 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.059 -6.938 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.184 -7.928 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.524 -9.502 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.901 -8.614 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.984 -9.789 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.918 -8.167 -3.430 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.649 -8.815 -4.334 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.769 -9.848 -4.864 1.00 0.00 C ATOM 1785 C GLU A 106 -7.688 -10.959 -3.827 1.00 0.00 C ATOM 1786 O GLU A 106 -7.912 -12.134 -4.142 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.382 -9.263 -5.147 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.374 -10.237 -5.687 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.011 -9.591 -5.854 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.031 -10.108 -5.290 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.926 -8.551 -6.550 1.00 0.00 O ATOM 0 H GLU A 106 -8.192 -7.922 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.156 -10.242 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.489 -8.444 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.991 -8.835 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.293 -11.090 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.716 -10.621 -6.648 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.393 -10.605 -2.582 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.304 -11.625 -1.540 1.00 0.00 C ATOM 1800 C LEU A 107 -8.656 -12.335 -1.385 1.00 0.00 C ATOM 1801 O LEU A 107 -8.699 -13.544 -1.209 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.827 -11.009 -0.218 1.00 0.00 C ATOM 1803 CG LEU A 107 -6.028 -11.899 0.765 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -6.868 -13.025 1.377 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.777 -12.505 0.110 1.00 0.00 C ATOM 0 H LEU A 107 -7.216 -9.649 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.565 -12.371 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.209 -10.144 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.705 -10.637 0.310 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.725 -11.227 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.250 -13.612 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.706 -12.596 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.247 -13.669 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.248 -13.121 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.073 -13.120 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.121 -11.704 -0.232 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.758 -11.598 -1.484 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.089 -12.213 -1.424 1.00 0.00 C ATOM 1819 C GLU A 108 -11.220 -13.258 -2.535 1.00 0.00 C ATOM 1820 O GLU A 108 -11.655 -14.389 -2.292 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.190 -11.154 -1.590 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.611 -11.703 -1.460 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.635 -10.796 -2.125 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -15.291 -11.243 -3.091 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.788 -9.627 -1.708 1.00 0.00 O ATOM 0 H GLU A 108 -9.762 -10.585 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.206 -12.687 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.044 -10.374 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.082 -10.684 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.659 -12.695 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.860 -11.819 -0.405 1.00 0.00 H new ATOM 1832 N SER A 109 -10.832 -12.890 -3.750 1.00 0.00 N ATOM 1833 CA SER A 109 -10.928 -13.798 -4.890 1.00 0.00 C ATOM 1834 C SER A 109 -10.058 -15.035 -4.693 1.00 0.00 C ATOM 1835 O SER A 109 -10.424 -16.117 -5.139 1.00 0.00 O ATOM 1836 CB SER A 109 -10.572 -13.085 -6.199 1.00 0.00 C ATOM 1837 OG SER A 109 -9.202 -12.723 -6.277 1.00 0.00 O ATOM 0 H SER A 109 -10.448 -11.971 -3.973 1.00 0.00 H new ATOM 0 HA SER A 109 -11.965 -14.127 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.819 -13.734 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.185 -12.189 -6.297 1.00 0.00 H new ATOM 0 HG SER A 109 -8.930 -12.289 -5.441 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.928 -14.901 -4.005 1.00 0.00 N ATOM 1844 CA HIS A 110 -8.094 -16.076 -3.751 1.00 0.00 C ATOM 1845 C HIS A 110 -8.667 -16.918 -2.611 1.00 0.00 C ATOM 1846 O HIS A 110 -8.375 -18.098 -2.500 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.703 -15.659 -3.281 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.851 -15.022 -4.331 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.253 -15.694 -5.366 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.443 -13.735 -4.467 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.529 -14.827 -6.063 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.596 -13.613 -5.550 1.00 0.00 N ATOM 0 H HIS A 110 -8.575 -14.023 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 110 -8.058 -16.635 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.810 -14.964 -2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.186 -16.538 -2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.348 -16.690 -5.566 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.739 -12.922 -3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.956 -15.083 -6.942 1.00 0.00 H new ATOM 1860 N SER A 111 -9.504 -16.318 -1.774 1.00 0.00 N ATOM 1861 CA SER A 111 -10.120 -17.027 -0.646 1.00 0.00 C ATOM 1862 C SER A 111 -11.511 -17.527 -1.024 1.00 0.00 C ATOM 1863 O SER A 111 -12.160 -18.214 -0.252 1.00 0.00 O ATOM 1864 CB SER A 111 -10.220 -16.108 0.573 1.00 0.00 C ATOM 1865 OG SER A 111 -11.097 -15.018 0.338 1.00 0.00 O ATOM 0 H SER A 111 -9.776 -15.338 -1.851 1.00 0.00 H new ATOM 0 HA SER A 111 -9.490 -17.881 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.572 -16.680 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.229 -15.730 0.826 1.00 0.00 H new ATOM 0 HG SER A 111 -11.265 -14.935 -0.624 1.00 0.00 H new ATOM 1871 N SER A 112 -11.947 -17.180 -2.230 1.00 0.00 N ATOM 1872 CA SER A 112 -13.256 -17.594 -2.764 1.00 0.00 C ATOM 1873 C SER A 112 -13.325 -19.082 -3.136 1.00 0.00 C ATOM 1874 O SER A 112 -14.283 -19.519 -3.769 1.00 0.00 O ATOM 1875 CB SER A 112 -13.611 -16.757 -3.988 1.00 0.00 C ATOM 1876 OG SER A 112 -13.768 -15.389 -3.644 1.00 0.00 O ATOM 0 H SER A 112 -11.407 -16.602 -2.873 1.00 0.00 H new ATOM 0 HA SER A 112 -13.975 -17.430 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.829 -16.858 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.533 -17.131 -4.433 1.00 0.00 H new ATOM 0 HG SER A 112 -12.963 -15.073 -3.184 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.301 -19.835 -2.745 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.221 -21.290 -2.941 1.00 0.00 C ATOM 1884 C TRP A 113 -12.151 -21.717 -4.410 1.00 0.00 C ATOM 1885 O TRP A 113 -12.591 -22.804 -4.766 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.386 -22.011 -2.222 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.617 -21.521 -0.802 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -12.901 -21.839 0.307 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -14.649 -20.619 -0.336 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.373 -21.203 1.417 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.449 -20.439 1.065 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -15.719 -19.944 -0.960 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -15.273 -19.604 1.846 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -16.553 -19.101 -0.177 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -16.313 -18.938 1.219 1.00 0.00 C ATOM 0 H TRP A 113 -11.484 -19.448 -2.273 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.275 -21.594 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -14.300 -21.872 -2.799 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.182 -23.082 -2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.059 -22.515 0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.986 -21.285 2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -15.902 -20.066 -2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -15.098 -19.487 2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -17.376 -18.579 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -16.952 -18.286 1.796 1.00 0.00 H new ATOM 1906 N TYR A 114 -11.574 -20.873 -5.257 1.00 0.00 N ATOM 1907 CA TYR A 114 -11.396 -21.192 -6.683 1.00 0.00 C ATOM 1908 C TYR A 114 -10.122 -22.026 -6.916 1.00 0.00 C ATOM 1909 O TYR A 114 -9.393 -21.818 -7.891 1.00 0.00 O ATOM 1910 CB TYR A 114 -11.319 -19.903 -7.513 1.00 0.00 C ATOM 1911 CG TYR A 114 -12.550 -19.013 -7.427 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -13.855 -19.560 -7.391 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -12.413 -17.609 -7.394 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -14.996 -18.715 -7.323 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -13.556 -16.765 -7.332 1.00 0.00 C ATOM 1916 CZ TYR A 114 -14.834 -17.330 -7.294 1.00 0.00 C ATOM 1917 OH TYR A 114 -15.934 -16.514 -7.216 1.00 0.00 O ATOM 0 H TYR A 114 -11.217 -19.956 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 114 -12.258 -21.779 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.451 -19.330 -7.188 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -11.153 -20.169 -8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -13.985 -20.632 -7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.427 -17.169 -7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -15.986 -19.145 -7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.437 -15.692 -7.314 1.00 0.00 H new ATOM 0 HH TYR A 114 -15.646 -15.577 -7.204 1.00 0.00 H new ATOM 1927 N ALA A 115 -9.857 -22.957 -6.011 1.00 0.00 N ATOM 1928 CA ALA A 115 -8.672 -23.806 -6.086 1.00 0.00 C ATOM 1929 C ALA A 115 -8.912 -24.942 -7.086 1.00 0.00 C ATOM 1930 O ALA A 115 -10.065 -25.390 -7.210 1.00 0.00 O ATOM 1931 CB ALA A 115 -8.342 -24.370 -4.692 1.00 0.00 C ATOM 1932 OXT ALA A 115 -7.928 -25.372 -7.723 1.00 0.00 O ATOM 0 H ALA A 115 -10.454 -23.147 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.823 -23.214 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.457 -25.003 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.152 -23.548 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.184 -24.960 -4.329 1.00 0.00 H new TER 1938 ALA A 115