USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=31 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= 3.15 (180deg=1.96) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.788 K(o=3.9,f=-12!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -151:sc= 0.837 (180deg=0.248) USER MOD Set 2.2: A 109 SER OG : rot -19:sc= 1.06 USER MOD Set 3.1: A 79 THR OG1 : rot 150:sc= 0.00122 USER MOD Set 3.2: A 86 GLN : amide:sc= 0.00413 X(o=0.0053,f=-0.049) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 1.24 K(o=0.17,f=-9!) USER MOD Set 4.2: A 34 GLN : amide:sc= -1.07 K(o=0.17,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.363 USER MOD Single : A 6 ASN : amide:sc= 0.0142 K(o=0.014,f=-3.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0.0922 USER MOD Single : A 9 SER OG : rot 37:sc= 0.514 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.592 (180deg=-0.792) USER MOD Single : A 12 HIS : no HD1:sc= -0.668 K(o=-0.67,f=0) USER MOD Single : A 13 MET CE :methyl -174:sc= 0 (180deg=-0.0532) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.866) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= -1.39 (180deg=-1.6!) USER MOD Single : A 16 MET CE :methyl 170:sc= 0 (180deg=-0.14) USER MOD Single : A 17 MET CE :methyl 174:sc= 0 (180deg=-0.0421) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= 0.426 (180deg=-0.15!) USER MOD Single : A 24 HIS : no HE2:sc= 0.811 K(o=0.81,f=-2.5!) USER MOD Single : A 28 GLN : amide:sc= -0.0466 K(o=-0.047,f=-3.2!) USER MOD Single : A 29 SER OG : rot -14:sc= 0.934 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 2.25 (180deg=2.08) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc=-0.00689 K(o=-0.0069,f=-0.72) USER MOD Single : A 46 THR OG1 : rot 177:sc= 0.35 USER MOD Single : A 53 HIS : no HE2:sc= 0.491 K(o=0.49,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= 1.03 (180deg=0.249) USER MOD Single : A 63 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.027) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.1) USER MOD Single : A 70 GLN : amide:sc= -0.089 K(o=-0.089,f=-0.96) USER MOD Single : A 73 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.0311) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.12 USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= 1.81 (180deg=1.53) USER MOD Single : A 88 TYR OH : rot 175:sc= 0.939 USER MOD Single : A 95 GLN : amide:sc= 0.00622 X(o=0.0062,f=-0.029) USER MOD Single : A 102 LYS NZ :NH3+ -157:sc= 1.04 (180deg=0.14!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -74:sc= 1.27 USER MOD Single : A 112 SER OG : rot 31:sc= 0.679 USER MOD Single : A 114 TYR OH : rot 68:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.401 40.175 0.027 1.00 0.00 N ATOM 2 CA GLY A 1 7.394 38.765 0.454 1.00 0.00 C ATOM 3 C GLY A 1 6.312 37.988 -0.242 1.00 0.00 C ATOM 4 O GLY A 1 5.509 38.571 -0.956 1.00 0.00 O ATOM 0 H1 GLY A 1 8.211 40.343 -0.603 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.518 40.389 -0.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.479 40.790 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.363 38.314 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.247 38.710 1.533 1.00 0.00 H new ATOM 10 N SER A 2 6.299 36.683 -0.044 1.00 0.00 N ATOM 11 CA SER A 2 5.345 35.774 -0.668 1.00 0.00 C ATOM 12 C SER A 2 5.140 34.726 0.434 1.00 0.00 C ATOM 13 O SER A 2 5.910 34.727 1.391 1.00 0.00 O ATOM 14 CB SER A 2 5.997 35.213 -1.948 1.00 0.00 C ATOM 15 OG SER A 2 5.222 34.219 -2.591 1.00 0.00 O ATOM 0 H SER A 2 6.965 36.211 0.568 1.00 0.00 H new ATOM 0 HA SER A 2 4.394 36.201 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.172 36.032 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.972 34.795 -1.696 1.00 0.00 H new ATOM 0 HG SER A 2 5.690 33.908 -3.394 1.00 0.00 H new ATOM 21 N PRO A 3 4.118 33.844 0.345 1.00 0.00 N ATOM 22 CA PRO A 3 4.035 32.835 1.417 1.00 0.00 C ATOM 23 C PRO A 3 5.319 32.004 1.575 1.00 0.00 C ATOM 24 O PRO A 3 5.695 31.623 2.687 1.00 0.00 O ATOM 25 CB PRO A 3 2.862 31.953 0.967 1.00 0.00 C ATOM 26 CG PRO A 3 2.030 32.847 0.134 1.00 0.00 C ATOM 27 CD PRO A 3 3.017 33.674 -0.625 1.00 0.00 C ATOM 0 HA PRO A 3 3.899 33.295 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.209 31.089 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.302 31.570 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.387 32.279 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.379 33.469 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.352 33.172 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.594 34.632 -0.928 1.00 0.00 H new ATOM 35 N GLU A 4 5.984 31.756 0.451 1.00 0.00 N ATOM 36 CA GLU A 4 7.280 31.071 0.421 1.00 0.00 C ATOM 37 C GLU A 4 7.278 29.691 1.107 1.00 0.00 C ATOM 38 O GLU A 4 6.244 29.179 1.570 1.00 0.00 O ATOM 39 CB GLU A 4 8.366 32.001 1.013 1.00 0.00 C ATOM 40 CG GLU A 4 8.649 33.214 0.124 1.00 0.00 C ATOM 41 CD GLU A 4 9.254 34.395 0.882 1.00 0.00 C ATOM 42 OE1 GLU A 4 8.792 35.549 0.665 1.00 0.00 O ATOM 43 OE2 GLU A 4 10.188 34.182 1.678 1.00 0.00 O ATOM 0 H GLU A 4 5.641 32.024 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 4 7.506 30.858 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.049 32.343 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.287 31.435 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.329 32.918 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.720 33.533 -0.349 1.00 0.00 H new ATOM 50 N PHE A 5 8.451 29.077 1.147 1.00 0.00 N ATOM 51 CA PHE A 5 8.594 27.734 1.689 1.00 0.00 C ATOM 52 C PHE A 5 8.186 27.672 3.154 1.00 0.00 C ATOM 53 O PHE A 5 7.743 26.639 3.622 1.00 0.00 O ATOM 54 CB PHE A 5 10.043 27.252 1.532 1.00 0.00 C ATOM 55 CG PHE A 5 11.016 27.941 2.457 1.00 0.00 C ATOM 56 CD1 PHE A 5 11.583 29.184 2.111 1.00 0.00 C ATOM 57 CD2 PHE A 5 11.365 27.352 3.689 1.00 0.00 C ATOM 58 CE1 PHE A 5 12.479 29.841 2.989 1.00 0.00 C ATOM 59 CE2 PHE A 5 12.262 27.998 4.573 1.00 0.00 C ATOM 60 CZ PHE A 5 12.817 29.247 4.223 1.00 0.00 C ATOM 0 H PHE A 5 9.321 29.489 0.809 1.00 0.00 H new ATOM 0 HA PHE A 5 7.928 27.079 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 5 10.081 26.178 1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.360 27.412 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.331 29.641 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 5 10.943 26.396 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.903 30.796 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 5 12.521 27.536 5.514 1.00 0.00 H new ATOM 0 HZ PHE A 5 13.498 29.746 4.897 1.00 0.00 H new ATOM 70 N ASN A 6 8.317 28.774 3.880 1.00 0.00 N ATOM 71 CA ASN A 6 7.978 28.766 5.295 1.00 0.00 C ATOM 72 C ASN A 6 6.462 28.774 5.511 1.00 0.00 C ATOM 73 O ASN A 6 5.977 28.050 6.380 1.00 0.00 O ATOM 74 CB ASN A 6 8.678 29.906 6.057 1.00 0.00 C ATOM 75 CG ASN A 6 8.182 31.271 5.665 1.00 0.00 C ATOM 76 OD1 ASN A 6 7.982 31.554 4.509 1.00 0.00 O ATOM 77 ND2 ASN A 6 7.993 32.124 6.633 1.00 0.00 N ATOM 0 H ASN A 6 8.649 29.669 3.521 1.00 0.00 H new ATOM 0 HA ASN A 6 8.354 27.832 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.528 29.765 7.127 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.751 29.850 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.665 33.067 6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.173 31.848 7.598 1.00 0.00 H new ATOM 84 N ARG A 7 5.679 29.532 4.743 1.00 0.00 N ATOM 85 CA ARG A 7 4.221 29.437 4.930 1.00 0.00 C ATOM 86 C ARG A 7 3.708 28.215 4.193 1.00 0.00 C ATOM 87 O ARG A 7 2.566 27.833 4.381 1.00 0.00 O ATOM 88 CB ARG A 7 3.453 30.691 4.517 1.00 0.00 C ATOM 89 CG ARG A 7 3.879 31.972 5.254 1.00 0.00 C ATOM 90 CD ARG A 7 3.605 31.894 6.751 1.00 0.00 C ATOM 91 NE ARG A 7 3.917 33.170 7.419 1.00 0.00 N ATOM 92 CZ ARG A 7 3.838 33.390 8.727 1.00 0.00 C ATOM 93 NH1 ARG A 7 3.475 32.457 9.574 1.00 0.00 N ATOM 94 NH2 ARG A 7 4.133 34.573 9.192 1.00 0.00 N ATOM 0 H ARG A 7 5.998 30.183 4.025 1.00 0.00 H new ATOM 0 HA ARG A 7 4.041 29.340 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.581 30.844 3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.390 30.524 4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.942 32.147 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.347 32.825 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.558 31.640 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.202 31.095 7.191 1.00 0.00 H new ATOM 0 HE ARG A 7 4.218 33.947 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.241 31.524 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.426 32.665 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.420 35.315 8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.077 34.756 10.194 1.00 0.00 H new ATOM 108 N TYR A 8 4.549 27.581 3.388 1.00 0.00 N ATOM 109 CA TYR A 8 4.153 26.321 2.756 1.00 0.00 C ATOM 110 C TYR A 8 4.367 25.172 3.755 1.00 0.00 C ATOM 111 O TYR A 8 3.769 24.103 3.628 1.00 0.00 O ATOM 112 CB TYR A 8 5.042 26.061 1.536 1.00 0.00 C ATOM 113 CG TYR A 8 4.342 25.418 0.367 1.00 0.00 C ATOM 114 CD1 TYR A 8 4.348 24.019 0.195 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.677 26.210 -0.590 1.00 0.00 C ATOM 116 CE1 TYR A 8 3.712 23.422 -0.923 1.00 0.00 C ATOM 117 CE2 TYR A 8 3.042 25.617 -1.709 1.00 0.00 C ATOM 118 CZ TYR A 8 3.067 24.227 -1.862 1.00 0.00 C ATOM 119 OH TYR A 8 2.438 23.664 -2.941 1.00 0.00 O ATOM 0 H TYR A 8 5.489 27.904 3.158 1.00 0.00 H new ATOM 0 HA TYR A 8 3.107 26.381 2.455 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.470 27.008 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.873 25.423 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.843 23.394 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.651 27.283 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.727 22.349 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.541 26.235 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 8 2.040 24.370 -3.493 1.00 0.00 H new ATOM 129 N SER A 9 5.203 25.398 4.769 1.00 0.00 N ATOM 130 CA SER A 9 5.521 24.349 5.745 1.00 0.00 C ATOM 131 C SER A 9 4.314 23.771 6.468 1.00 0.00 C ATOM 132 O SER A 9 4.313 22.595 6.796 1.00 0.00 O ATOM 133 CB SER A 9 6.494 24.867 6.804 1.00 0.00 C ATOM 134 OG SER A 9 7.700 25.312 6.216 1.00 0.00 O ATOM 0 H SER A 9 5.670 26.289 4.937 1.00 0.00 H new ATOM 0 HA SER A 9 5.964 23.551 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.032 25.685 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.707 24.076 7.524 1.00 0.00 H new ATOM 0 HG SER A 9 7.506 25.742 5.357 1.00 0.00 H new ATOM 140 N LYS A 10 3.296 24.583 6.729 1.00 0.00 N ATOM 141 CA LYS A 10 2.118 24.102 7.470 1.00 0.00 C ATOM 142 C LYS A 10 1.493 22.884 6.797 1.00 0.00 C ATOM 143 O LYS A 10 1.332 21.831 7.414 1.00 0.00 O ATOM 144 CB LYS A 10 1.049 25.206 7.617 1.00 0.00 C ATOM 145 CG LYS A 10 0.933 26.161 6.418 1.00 0.00 C ATOM 146 CD LYS A 10 -0.467 26.768 6.294 1.00 0.00 C ATOM 147 CE LYS A 10 -0.596 27.676 5.051 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.385 26.939 3.749 1.00 0.00 N ATOM 0 H LYS A 10 3.254 25.562 6.448 1.00 0.00 H new ATOM 0 HA LYS A 10 2.471 23.818 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.081 24.734 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.273 25.792 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.666 26.961 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.176 25.622 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.205 25.968 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.692 27.346 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.585 28.134 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.130 28.486 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.299 27.625 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.485 26.372 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.196 26.313 3.569 1.00 0.00 H new ATOM 162 N GLU A 11 1.133 23.034 5.536 1.00 0.00 N ATOM 163 CA GLU A 11 0.452 21.974 4.826 1.00 0.00 C ATOM 164 C GLU A 11 1.435 20.928 4.373 1.00 0.00 C ATOM 165 O GLU A 11 1.122 19.755 4.426 1.00 0.00 O ATOM 166 CB GLU A 11 -0.311 22.535 3.637 1.00 0.00 C ATOM 167 CG GLU A 11 -1.349 23.573 4.030 1.00 0.00 C ATOM 168 CD GLU A 11 -2.301 23.058 5.090 1.00 0.00 C ATOM 169 OE1 GLU A 11 -2.305 23.619 6.207 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.037 22.087 4.823 1.00 0.00 O ATOM 0 H GLU A 11 1.301 23.877 4.986 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.261 21.507 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.396 22.983 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.804 21.718 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.845 24.466 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.916 23.869 3.148 1.00 0.00 H new ATOM 177 N HIS A 12 2.626 21.340 3.953 1.00 0.00 N ATOM 178 CA HIS A 12 3.648 20.381 3.535 1.00 0.00 C ATOM 179 C HIS A 12 3.897 19.375 4.653 1.00 0.00 C ATOM 180 O HIS A 12 3.805 18.175 4.438 1.00 0.00 O ATOM 181 CB HIS A 12 4.950 21.110 3.188 1.00 0.00 C ATOM 182 CG HIS A 12 6.122 20.198 2.986 1.00 0.00 C ATOM 183 ND1 HIS A 12 7.395 20.481 3.414 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.214 18.975 2.388 1.00 0.00 C ATOM 185 CE1 HIS A 12 8.181 19.460 3.086 1.00 0.00 C ATOM 186 NE2 HIS A 12 7.516 18.515 2.460 1.00 0.00 N ATOM 0 H HIS A 12 2.908 22.318 3.892 1.00 0.00 H new ATOM 0 HA HIS A 12 3.296 19.853 2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.797 21.695 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 12 5.184 21.815 3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.393 18.446 1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.237 19.413 3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.882 17.632 2.104 1.00 0.00 H new ATOM 194 N MET A 13 4.196 19.852 5.854 1.00 0.00 N ATOM 195 CA MET A 13 4.480 18.942 6.959 1.00 0.00 C ATOM 196 C MET A 13 3.240 18.165 7.376 1.00 0.00 C ATOM 197 O MET A 13 3.329 16.975 7.639 1.00 0.00 O ATOM 198 CB MET A 13 5.034 19.695 8.171 1.00 0.00 C ATOM 199 CG MET A 13 6.405 20.332 7.932 1.00 0.00 C ATOM 200 SD MET A 13 7.688 19.128 7.498 1.00 0.00 S ATOM 201 CE MET A 13 7.900 18.209 9.047 1.00 0.00 C ATOM 0 H MET A 13 4.248 20.844 6.087 1.00 0.00 H new ATOM 0 HA MET A 13 5.232 18.239 6.600 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.327 20.474 8.457 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.106 19.006 9.013 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.322 21.068 7.132 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.710 20.870 8.830 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.733 17.513 8.946 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.106 18.907 9.859 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.988 17.654 9.269 1.00 0.00 H new ATOM 211 N LYS A 14 2.086 18.819 7.441 1.00 0.00 N ATOM 212 CA LYS A 14 0.860 18.125 7.864 1.00 0.00 C ATOM 213 C LYS A 14 0.489 17.008 6.892 1.00 0.00 C ATOM 214 O LYS A 14 0.187 15.878 7.310 1.00 0.00 O ATOM 215 CB LYS A 14 -0.295 19.124 7.977 1.00 0.00 C ATOM 216 CG LYS A 14 -1.635 18.493 8.371 1.00 0.00 C ATOM 217 CD LYS A 14 -2.697 19.548 8.726 1.00 0.00 C ATOM 218 CE LYS A 14 -3.014 20.507 7.569 1.00 0.00 C ATOM 219 NZ LYS A 14 -3.577 19.830 6.348 1.00 0.00 N ATOM 0 H LYS A 14 1.966 19.806 7.214 1.00 0.00 H new ATOM 0 HA LYS A 14 1.048 17.675 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.033 19.883 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.414 19.635 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.999 17.877 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.485 17.831 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.613 19.042 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.352 20.126 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.725 21.256 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.103 21.037 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.591 20.501 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.984 19.012 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.546 19.508 6.545 1.00 0.00 H new ATOM 233 N LYS A 15 0.500 17.318 5.603 1.00 0.00 N ATOM 234 CA LYS A 15 0.112 16.340 4.600 1.00 0.00 C ATOM 235 C LYS A 15 1.145 15.239 4.568 1.00 0.00 C ATOM 236 O LYS A 15 0.788 14.087 4.658 1.00 0.00 O ATOM 237 CB LYS A 15 -0.044 16.972 3.212 1.00 0.00 C ATOM 238 CG LYS A 15 -1.094 16.261 2.383 1.00 0.00 C ATOM 239 CD LYS A 15 -0.826 16.390 0.888 1.00 0.00 C ATOM 240 CE LYS A 15 -1.910 15.680 0.078 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.063 14.237 0.475 1.00 0.00 N ATOM 0 H LYS A 15 0.770 18.229 5.231 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.862 15.932 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.316 18.022 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.912 16.942 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.119 15.206 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.077 16.673 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.790 17.443 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.149 15.964 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.860 16.196 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.666 15.739 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.735 13.770 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.140 13.761 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.420 14.181 1.450 1.00 0.00 H new ATOM 255 N MET A 16 2.423 15.591 4.482 1.00 0.00 N ATOM 256 CA MET A 16 3.481 14.580 4.452 1.00 0.00 C ATOM 257 C MET A 16 3.404 13.686 5.682 1.00 0.00 C ATOM 258 O MET A 16 3.609 12.493 5.576 1.00 0.00 O ATOM 259 CB MET A 16 4.870 15.227 4.371 1.00 0.00 C ATOM 260 CG MET A 16 6.011 14.205 4.296 1.00 0.00 C ATOM 261 SD MET A 16 7.663 14.943 4.210 1.00 0.00 S ATOM 262 CE MET A 16 7.815 15.691 5.844 1.00 0.00 C ATOM 0 H MET A 16 2.752 16.555 4.432 1.00 0.00 H new ATOM 0 HA MET A 16 3.329 13.975 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.912 15.873 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.018 15.864 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.960 13.556 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.861 13.573 3.420 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.841 16.025 5.997 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.141 16.545 5.918 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.555 14.956 6.606 1.00 0.00 H new ATOM 272 N MET A 17 3.100 14.246 6.847 1.00 0.00 N ATOM 273 CA MET A 17 2.988 13.431 8.058 1.00 0.00 C ATOM 274 C MET A 17 1.868 12.403 7.918 1.00 0.00 C ATOM 275 O MET A 17 2.068 11.226 8.203 1.00 0.00 O ATOM 276 CB MET A 17 2.730 14.311 9.288 1.00 0.00 C ATOM 277 CG MET A 17 2.741 13.548 10.610 1.00 0.00 C ATOM 278 SD MET A 17 4.356 12.815 10.978 1.00 0.00 S ATOM 279 CE MET A 17 5.334 14.262 11.433 1.00 0.00 C ATOM 0 H MET A 17 2.929 15.242 6.982 1.00 0.00 H new ATOM 0 HA MET A 17 3.934 12.907 8.192 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.486 15.095 9.326 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.765 14.805 9.173 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.460 14.224 11.418 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.988 12.761 10.577 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.315 13.942 11.784 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.453 14.909 10.564 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.825 14.810 12.226 1.00 0.00 H new ATOM 289 N LYS A 18 0.690 12.825 7.473 1.00 0.00 N ATOM 290 CA LYS A 18 -0.415 11.869 7.326 1.00 0.00 C ATOM 291 C LYS A 18 -0.202 10.925 6.152 1.00 0.00 C ATOM 292 O LYS A 18 -0.585 9.764 6.211 1.00 0.00 O ATOM 293 CB LYS A 18 -1.758 12.590 7.177 1.00 0.00 C ATOM 294 CG LYS A 18 -2.503 12.774 8.506 1.00 0.00 C ATOM 295 CD LYS A 18 -2.957 11.422 9.095 1.00 0.00 C ATOM 296 CE LYS A 18 -3.749 11.604 10.381 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.079 10.268 10.984 1.00 0.00 N ATOM 0 H LYS A 18 0.473 13.787 7.214 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.433 11.274 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.589 13.568 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.390 12.027 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.855 13.283 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.372 13.414 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.568 10.894 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.084 10.799 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.173 12.198 11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.667 12.155 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.958 10.343 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.204 9.567 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.304 9.968 11.609 1.00 0.00 H new ATOM 311 N ASP A 19 0.420 11.411 5.097 1.00 0.00 N ATOM 312 CA ASP A 19 0.702 10.580 3.933 1.00 0.00 C ATOM 313 C ASP A 19 1.741 9.529 4.300 1.00 0.00 C ATOM 314 O ASP A 19 1.751 8.456 3.734 1.00 0.00 O ATOM 315 CB ASP A 19 1.189 11.435 2.760 1.00 0.00 C ATOM 316 CG ASP A 19 0.092 12.340 2.205 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.098 11.962 2.259 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.415 13.432 1.700 1.00 0.00 O ATOM 0 H ASP A 19 0.742 12.376 5.017 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.216 10.081 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.031 12.046 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.555 10.784 1.966 1.00 0.00 H new ATOM 323 N LEU A 20 2.608 9.818 5.264 1.00 0.00 N ATOM 324 CA LEU A 20 3.599 8.833 5.710 1.00 0.00 C ATOM 325 C LEU A 20 3.037 7.876 6.730 1.00 0.00 C ATOM 326 O LEU A 20 3.530 6.767 6.861 1.00 0.00 O ATOM 327 CB LEU A 20 4.848 9.504 6.260 1.00 0.00 C ATOM 328 CG LEU A 20 6.015 9.492 5.262 1.00 0.00 C ATOM 329 CD1 LEU A 20 5.602 9.937 3.845 1.00 0.00 C ATOM 330 CD2 LEU A 20 7.114 10.404 5.793 1.00 0.00 C ATOM 0 H LEU A 20 2.649 10.714 5.750 1.00 0.00 H new ATOM 0 HA LEU A 20 3.873 8.257 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.614 10.535 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.154 8.999 7.176 1.00 0.00 H new ATOM 0 HG LEU A 20 6.367 8.464 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.470 9.907 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.833 9.266 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.210 10.953 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.952 10.408 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.726 11.417 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.451 10.040 6.764 1.00 0.00 H new ATOM 342 N GLU A 21 1.989 8.279 7.425 1.00 0.00 N ATOM 343 CA GLU A 21 1.263 7.353 8.288 1.00 0.00 C ATOM 344 C GLU A 21 0.691 6.316 7.314 1.00 0.00 C ATOM 345 O GLU A 21 0.725 5.107 7.553 1.00 0.00 O ATOM 346 CB GLU A 21 0.159 8.102 9.047 1.00 0.00 C ATOM 347 CG GLU A 21 -0.642 7.269 10.027 1.00 0.00 C ATOM 348 CD GLU A 21 -1.776 8.080 10.638 1.00 0.00 C ATOM 349 OE1 GLU A 21 -2.959 7.734 10.421 1.00 0.00 O ATOM 350 OE2 GLU A 21 -1.500 9.091 11.327 1.00 0.00 O ATOM 0 H GLU A 21 1.621 9.230 7.413 1.00 0.00 H new ATOM 0 HA GLU A 21 1.884 6.887 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.614 8.931 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.528 8.535 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.049 6.395 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.013 6.902 10.817 1.00 0.00 H new ATOM 357 N GLY A 22 0.204 6.813 6.184 1.00 0.00 N ATOM 358 CA GLY A 22 -0.291 5.946 5.133 1.00 0.00 C ATOM 359 C GLY A 22 0.818 5.159 4.455 1.00 0.00 C ATOM 360 O GLY A 22 0.619 4.015 4.118 1.00 0.00 O ATOM 0 H GLY A 22 0.143 7.810 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.020 5.252 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.814 6.546 4.388 1.00 0.00 H new ATOM 364 N LEU A 23 1.987 5.749 4.250 1.00 0.00 N ATOM 365 CA LEU A 23 3.100 5.037 3.611 1.00 0.00 C ATOM 366 C LEU A 23 3.559 3.893 4.527 1.00 0.00 C ATOM 367 O LEU A 23 3.880 2.799 4.067 1.00 0.00 O ATOM 368 CB LEU A 23 4.247 6.004 3.287 1.00 0.00 C ATOM 369 CG LEU A 23 5.056 5.691 2.012 1.00 0.00 C ATOM 370 CD1 LEU A 23 5.848 6.932 1.593 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.015 4.516 2.190 1.00 0.00 C ATOM 0 H LEU A 23 2.195 6.712 4.513 1.00 0.00 H new ATOM 0 HA LEU A 23 2.768 4.610 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.834 7.008 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.933 6.019 4.134 1.00 0.00 H new ATOM 0 HG LEU A 23 4.340 5.409 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.420 6.711 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.159 7.753 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.529 7.217 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.556 4.344 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.725 4.743 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.450 3.622 2.452 1.00 0.00 H new ATOM 383 N HIS A 24 3.559 4.130 5.832 1.00 0.00 N ATOM 384 CA HIS A 24 3.869 3.062 6.775 1.00 0.00 C ATOM 385 C HIS A 24 2.738 2.047 6.716 1.00 0.00 C ATOM 386 O HIS A 24 2.982 0.859 6.767 1.00 0.00 O ATOM 387 CB HIS A 24 4.040 3.580 8.200 1.00 0.00 C ATOM 388 CG HIS A 24 4.328 2.495 9.193 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.352 1.580 9.081 1.00 0.00 N ATOM 390 CD2 HIS A 24 3.682 2.158 10.344 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.294 0.765 10.127 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.299 1.072 10.934 1.00 0.00 N ATOM 0 H HIS A 24 3.352 5.034 6.257 1.00 0.00 H new ATOM 0 HA HIS A 24 4.819 2.607 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.852 4.307 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.134 4.106 8.499 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.036 1.536 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.814 2.666 10.738 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.980 -0.052 10.296 1.00 0.00 H new ATOM 400 N ARG A 25 1.497 2.495 6.568 1.00 0.00 N ATOM 401 CA ARG A 25 0.400 1.543 6.372 1.00 0.00 C ATOM 402 C ARG A 25 0.627 0.721 5.090 1.00 0.00 C ATOM 403 O ARG A 25 0.231 -0.418 5.030 1.00 0.00 O ATOM 404 CB ARG A 25 -0.962 2.237 6.317 1.00 0.00 C ATOM 405 CG ARG A 25 -2.121 1.257 6.420 1.00 0.00 C ATOM 406 CD ARG A 25 -3.413 1.858 5.937 1.00 0.00 C ATOM 407 NE ARG A 25 -4.423 0.799 5.776 1.00 0.00 N ATOM 408 CZ ARG A 25 -5.642 0.970 5.282 1.00 0.00 C ATOM 409 NH1 ARG A 25 -6.079 2.143 4.893 1.00 0.00 N ATOM 410 NH2 ARG A 25 -6.434 -0.060 5.180 1.00 0.00 N ATOM 0 H ARG A 25 1.225 3.478 6.578 1.00 0.00 H new ATOM 0 HA ARG A 25 0.394 0.875 7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.030 2.961 7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.044 2.795 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.895 0.366 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.235 0.938 7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.766 2.605 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.255 2.370 4.988 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.164 -0.143 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.475 2.962 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.023 2.237 4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.113 -0.981 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.374 0.055 4.802 1.00 0.00 H new ATOM 424 N ALA A 26 1.274 1.288 4.080 1.00 0.00 N ATOM 425 CA ALA A 26 1.583 0.546 2.853 1.00 0.00 C ATOM 426 C ALA A 26 2.700 -0.487 3.109 1.00 0.00 C ATOM 427 O ALA A 26 2.747 -1.532 2.483 1.00 0.00 O ATOM 428 CB ALA A 26 1.974 1.505 1.722 1.00 0.00 C ATOM 0 H ALA A 26 1.596 2.256 4.081 1.00 0.00 H new ATOM 0 HA ALA A 26 0.687 0.008 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.199 0.933 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.148 2.187 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.853 2.077 2.018 1.00 0.00 H new ATOM 434 N GLU A 27 3.587 -0.201 4.048 1.00 0.00 N ATOM 435 CA GLU A 27 4.618 -1.170 4.466 1.00 0.00 C ATOM 436 C GLU A 27 3.885 -2.323 5.197 1.00 0.00 C ATOM 437 O GLU A 27 4.093 -3.555 4.978 1.00 0.00 O ATOM 438 CB GLU A 27 5.605 -0.440 5.387 1.00 0.00 C ATOM 439 CG GLU A 27 6.872 -1.170 5.744 1.00 0.00 C ATOM 440 CD GLU A 27 7.825 -0.252 6.513 1.00 0.00 C ATOM 441 OE1 GLU A 27 9.051 -0.326 6.279 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.341 0.561 7.346 1.00 0.00 O ATOM 0 H GLU A 27 3.624 0.691 4.542 1.00 0.00 H new ATOM 0 HA GLU A 27 5.180 -1.583 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.879 0.502 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.085 -0.191 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.635 -2.046 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.358 -1.530 4.837 1.00 0.00 H new ATOM 449 N GLN A 28 2.968 -1.899 6.048 1.00 0.00 N ATOM 450 CA GLN A 28 2.115 -2.817 6.763 1.00 0.00 C ATOM 451 C GLN A 28 1.205 -3.528 5.774 1.00 0.00 C ATOM 452 O GLN A 28 0.702 -4.564 6.101 1.00 0.00 O ATOM 453 CB GLN A 28 1.282 -2.091 7.825 1.00 0.00 C ATOM 454 CG GLN A 28 2.112 -1.508 8.965 1.00 0.00 C ATOM 455 CD GLN A 28 1.260 -0.761 9.970 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.578 0.201 9.641 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.288 -1.205 11.199 1.00 0.00 N ATOM 0 H GLN A 28 2.798 -0.916 6.258 1.00 0.00 H new ATOM 0 HA GLN A 28 2.740 -3.546 7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.722 -1.287 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.551 -2.786 8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.646 -2.312 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.864 -0.833 8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.868 -2.009 11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.730 -0.747 11.920 1.00 0.00 H new ATOM 466 N SER A 29 1.004 -3.004 4.569 1.00 0.00 N ATOM 467 CA SER A 29 0.194 -3.704 3.575 1.00 0.00 C ATOM 468 C SER A 29 1.053 -4.732 2.850 1.00 0.00 C ATOM 469 O SER A 29 0.526 -5.733 2.413 1.00 0.00 O ATOM 470 CB SER A 29 -0.517 -2.758 2.594 1.00 0.00 C ATOM 471 OG SER A 29 0.360 -2.180 1.653 1.00 0.00 O ATOM 0 H SER A 29 1.384 -2.110 4.259 1.00 0.00 H new ATOM 0 HA SER A 29 -0.608 -4.217 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.296 -3.309 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.012 -1.966 3.156 1.00 0.00 H new ATOM 0 HG SER A 29 1.286 -2.316 1.943 1.00 0.00 H new ATOM 477 N LEU A 30 2.371 -4.523 2.765 1.00 0.00 N ATOM 478 CA LEU A 30 3.282 -5.574 2.264 1.00 0.00 C ATOM 479 C LEU A 30 3.031 -6.698 3.266 1.00 0.00 C ATOM 480 O LEU A 30 2.673 -7.839 2.914 1.00 0.00 O ATOM 481 CB LEU A 30 4.787 -5.192 2.358 1.00 0.00 C ATOM 482 CG LEU A 30 5.321 -3.835 1.875 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.699 -3.601 2.515 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.452 -3.723 0.380 1.00 0.00 C ATOM 0 H LEU A 30 2.832 -3.652 3.030 1.00 0.00 H new ATOM 0 HA LEU A 30 3.096 -5.793 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.068 -5.283 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.339 -5.958 1.812 1.00 0.00 H new ATOM 0 HG LEU A 30 4.592 -3.082 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.096 -2.641 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.600 -3.598 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.380 -4.398 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.835 -2.736 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.141 -4.486 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.475 -3.866 -0.083 1.00 0.00 H new ATOM 496 N HIS A 31 3.221 -6.362 4.539 1.00 0.00 N ATOM 497 CA HIS A 31 3.146 -7.394 5.579 1.00 0.00 C ATOM 498 C HIS A 31 1.758 -8.026 5.807 1.00 0.00 C ATOM 499 O HIS A 31 1.643 -9.254 5.963 1.00 0.00 O ATOM 500 CB HIS A 31 3.772 -6.862 6.853 1.00 0.00 C ATOM 501 CG HIS A 31 5.212 -6.484 6.674 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.060 -7.068 5.753 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.969 -5.542 7.300 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.248 -6.485 5.860 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.254 -5.551 6.788 1.00 0.00 N ATOM 0 H HIS A 31 3.421 -5.419 4.872 1.00 0.00 H new ATOM 0 HA HIS A 31 3.721 -8.244 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.211 -5.991 7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.693 -7.617 7.635 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.816 -7.816 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.618 -4.884 8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.106 -6.746 5.258 1.00 0.00 H new ATOM 513 N ASP A 32 0.711 -7.219 5.793 1.00 0.00 N ATOM 514 CA ASP A 32 -0.652 -7.725 5.929 1.00 0.00 C ATOM 515 C ASP A 32 -0.921 -8.654 4.777 1.00 0.00 C ATOM 516 O ASP A 32 -1.581 -9.661 4.955 1.00 0.00 O ATOM 517 CB ASP A 32 -1.712 -6.610 5.862 1.00 0.00 C ATOM 518 CG ASP A 32 -2.019 -5.987 7.218 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.679 -4.922 7.232 1.00 0.00 O ATOM 520 OD2 ASP A 32 -1.641 -6.558 8.259 1.00 0.00 O ATOM 0 H ASP A 32 0.775 -6.206 5.689 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.723 -8.213 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.367 -5.831 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.631 -7.017 5.441 1.00 0.00 H new ATOM 525 N LEU A 33 -0.427 -8.324 3.589 1.00 0.00 N ATOM 526 CA LEU A 33 -0.661 -9.174 2.430 1.00 0.00 C ATOM 527 C LEU A 33 0.110 -10.480 2.531 1.00 0.00 C ATOM 528 O LEU A 33 -0.468 -11.515 2.224 1.00 0.00 O ATOM 529 CB LEU A 33 -0.349 -8.450 1.115 1.00 0.00 C ATOM 530 CG LEU A 33 -1.482 -7.521 0.629 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.996 -6.508 -0.418 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.631 -8.357 0.028 1.00 0.00 C ATOM 0 H LEU A 33 0.129 -7.489 3.405 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.724 -9.414 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.560 -7.862 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.144 -9.192 0.343 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.833 -6.965 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.829 -5.878 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.212 -5.886 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.602 -7.040 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.425 -7.692 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.257 -8.936 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.024 -9.034 0.787 1.00 0.00 H new ATOM 544 N GLN A 34 1.369 -10.492 2.974 1.00 0.00 N ATOM 545 CA GLN A 34 2.021 -11.814 3.126 1.00 0.00 C ATOM 546 C GLN A 34 1.350 -12.627 4.233 1.00 0.00 C ATOM 547 O GLN A 34 1.150 -13.836 4.076 1.00 0.00 O ATOM 548 CB GLN A 34 3.546 -11.799 3.357 1.00 0.00 C ATOM 549 CG GLN A 34 4.138 -10.596 4.067 1.00 0.00 C ATOM 550 CD GLN A 34 4.923 -9.642 3.164 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.730 -8.846 3.659 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.697 -9.697 1.869 1.00 0.00 N ATOM 0 H GLN A 34 1.930 -9.676 3.220 1.00 0.00 H new ATOM 0 HA GLN A 34 1.882 -12.282 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.808 -12.689 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.034 -11.889 2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.331 -10.040 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.797 -10.948 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.024 -10.367 1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.195 -9.070 1.237 1.00 0.00 H new ATOM 561 N GLU A 35 0.972 -12.004 5.344 1.00 0.00 N ATOM 562 CA GLU A 35 0.282 -12.776 6.383 1.00 0.00 C ATOM 563 C GLU A 35 -1.066 -13.266 5.850 1.00 0.00 C ATOM 564 O GLU A 35 -1.508 -14.384 6.164 1.00 0.00 O ATOM 565 CB GLU A 35 0.092 -11.977 7.672 1.00 0.00 C ATOM 566 CG GLU A 35 1.396 -11.820 8.460 1.00 0.00 C ATOM 567 CD GLU A 35 1.173 -11.486 9.936 1.00 0.00 C ATOM 568 OE1 GLU A 35 0.007 -11.325 10.360 1.00 0.00 O ATOM 569 OE2 GLU A 35 2.180 -11.402 10.675 1.00 0.00 O ATOM 0 H GLU A 35 1.119 -11.016 5.548 1.00 0.00 H new ATOM 0 HA GLU A 35 0.910 -13.631 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.304 -10.991 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.650 -12.473 8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.971 -12.743 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.996 -11.033 8.003 1.00 0.00 H new ATOM 576 N ARG A 36 -1.714 -12.456 5.020 1.00 0.00 N ATOM 577 CA ARG A 36 -2.971 -12.863 4.396 1.00 0.00 C ATOM 578 C ARG A 36 -2.718 -14.044 3.499 1.00 0.00 C ATOM 579 O ARG A 36 -3.474 -14.975 3.531 1.00 0.00 O ATOM 580 CB ARG A 36 -3.603 -11.732 3.573 1.00 0.00 C ATOM 581 CG ARG A 36 -5.125 -11.808 3.463 1.00 0.00 C ATOM 582 CD ARG A 36 -5.807 -11.638 4.832 1.00 0.00 C ATOM 583 NE ARG A 36 -5.274 -10.482 5.580 1.00 0.00 N ATOM 584 CZ ARG A 36 -5.704 -10.063 6.763 1.00 0.00 C ATOM 585 NH1 ARG A 36 -6.696 -10.647 7.393 1.00 0.00 N ATOM 586 NH2 ARG A 36 -5.118 -9.043 7.326 1.00 0.00 N ATOM 0 H ARG A 36 -1.395 -11.522 4.764 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.668 -13.123 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.330 -10.777 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.177 -11.747 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.479 -11.034 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.411 -12.767 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.880 -11.512 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.668 -12.545 5.420 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.510 -9.961 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.163 -11.451 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.000 -10.297 8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.340 -8.579 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.437 -8.709 8.235 1.00 0.00 H new ATOM 600 N LEU A 37 -1.654 -14.004 2.713 1.00 0.00 N ATOM 601 CA LEU A 37 -1.281 -15.114 1.835 1.00 0.00 C ATOM 602 C LEU A 37 -1.060 -16.367 2.673 1.00 0.00 C ATOM 603 O LEU A 37 -1.599 -17.448 2.361 1.00 0.00 O ATOM 604 CB LEU A 37 0.006 -14.741 1.073 1.00 0.00 C ATOM 605 CG LEU A 37 0.988 -15.846 0.630 1.00 0.00 C ATOM 606 CD1 LEU A 37 0.382 -16.776 -0.417 1.00 0.00 C ATOM 607 CD2 LEU A 37 2.253 -15.181 0.090 1.00 0.00 C ATOM 0 H LEU A 37 -1.022 -13.205 2.662 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.076 -15.309 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.294 -14.196 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.563 -14.044 1.699 1.00 0.00 H new ATOM 0 HG LEU A 37 1.224 -16.468 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.113 -17.536 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.504 -17.259 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.104 -16.199 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.960 -15.948 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.997 -14.548 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.706 -14.572 0.872 1.00 0.00 H new ATOM 619 N HIS A 38 -0.282 -16.228 3.740 1.00 0.00 N ATOM 620 CA HIS A 38 0.027 -17.366 4.594 1.00 0.00 C ATOM 621 C HIS A 38 -1.252 -17.998 5.131 1.00 0.00 C ATOM 622 O HIS A 38 -1.449 -19.201 4.986 1.00 0.00 O ATOM 623 CB HIS A 38 0.944 -16.949 5.749 1.00 0.00 C ATOM 624 CG HIS A 38 2.287 -16.457 5.300 1.00 0.00 C ATOM 625 ND1 HIS A 38 3.079 -15.602 6.027 1.00 0.00 N ATOM 626 CD2 HIS A 38 2.987 -16.697 4.155 1.00 0.00 C ATOM 627 CE1 HIS A 38 4.184 -15.363 5.328 1.00 0.00 C ATOM 628 NE2 HIS A 38 4.186 -16.012 4.180 1.00 0.00 N ATOM 0 H HIS A 38 0.142 -15.347 4.032 1.00 0.00 H new ATOM 0 HA HIS A 38 0.552 -18.107 3.992 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.454 -16.166 6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.082 -17.799 6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.653 -17.330 3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.983 -14.716 5.660 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.914 -16.009 3.466 1.00 0.00 H new ATOM 636 N LYS A 39 -2.137 -17.209 5.728 1.00 0.00 N ATOM 637 CA LYS A 39 -3.379 -17.779 6.259 1.00 0.00 C ATOM 638 C LYS A 39 -4.369 -18.173 5.173 1.00 0.00 C ATOM 639 O LYS A 39 -5.143 -19.110 5.349 1.00 0.00 O ATOM 640 CB LYS A 39 -4.043 -16.832 7.264 1.00 0.00 C ATOM 641 CG LYS A 39 -3.603 -17.091 8.712 1.00 0.00 C ATOM 642 CD LYS A 39 -4.123 -18.451 9.214 1.00 0.00 C ATOM 643 CE LYS A 39 -3.631 -18.775 10.608 1.00 0.00 C ATOM 644 NZ LYS A 39 -3.591 -20.268 10.759 1.00 0.00 N ATOM 0 H LYS A 39 -2.029 -16.203 5.857 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.089 -18.695 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.806 -15.802 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.126 -16.938 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.515 -17.069 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.976 -16.295 9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.213 -18.445 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.804 -19.235 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.640 -18.350 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.291 -18.335 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.353 -20.511 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.521 -20.666 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.871 -20.662 10.121 1.00 0.00 H new ATOM 658 N ALA A 40 -4.345 -17.485 4.046 1.00 0.00 N ATOM 659 CA ALA A 40 -5.208 -17.837 2.929 1.00 0.00 C ATOM 660 C ALA A 40 -4.793 -19.205 2.454 1.00 0.00 C ATOM 661 O ALA A 40 -5.632 -20.017 2.114 1.00 0.00 O ATOM 662 CB ALA A 40 -5.087 -16.844 1.797 1.00 0.00 C ATOM 0 H ALA A 40 -3.740 -16.681 3.878 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.248 -17.827 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.746 -17.140 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.370 -15.853 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.057 -16.822 1.441 1.00 0.00 H new ATOM 668 N GLN A 41 -3.503 -19.488 2.434 1.00 0.00 N ATOM 669 CA GLN A 41 -3.113 -20.826 2.050 1.00 0.00 C ATOM 670 C GLN A 41 -3.551 -21.788 3.166 1.00 0.00 C ATOM 671 O GLN A 41 -4.370 -22.688 2.931 1.00 0.00 O ATOM 672 CB GLN A 41 -1.601 -20.897 1.818 1.00 0.00 C ATOM 673 CG GLN A 41 -1.154 -22.181 1.134 1.00 0.00 C ATOM 674 CD GLN A 41 0.354 -22.283 1.018 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.954 -23.228 1.498 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.966 -21.321 0.375 1.00 0.00 N ATOM 0 H GLN A 41 -2.745 -18.846 2.666 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.595 -21.108 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.294 -20.045 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.089 -20.807 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.531 -23.037 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.596 -22.231 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.429 -20.545 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.979 -21.347 0.262 1.00 0.00 H new ATOM 685 N GLU A 42 -3.030 -21.568 4.372 1.00 0.00 N ATOM 686 CA GLU A 42 -3.234 -22.481 5.507 1.00 0.00 C ATOM 687 C GLU A 42 -4.669 -22.899 5.736 1.00 0.00 C ATOM 688 O GLU A 42 -4.930 -24.071 6.005 1.00 0.00 O ATOM 689 CB GLU A 42 -2.712 -21.864 6.807 1.00 0.00 C ATOM 690 CG GLU A 42 -1.200 -21.938 6.969 1.00 0.00 C ATOM 691 CD GLU A 42 -0.754 -21.504 8.361 1.00 0.00 C ATOM 692 OE1 GLU A 42 0.266 -22.029 8.852 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.431 -20.645 8.973 1.00 0.00 O ATOM 0 H GLU A 42 -2.455 -20.755 4.595 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.673 -23.374 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.020 -20.819 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.182 -22.370 7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.865 -22.958 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.724 -21.304 6.221 1.00 0.00 H new ATOM 700 N GLU A 43 -5.596 -21.963 5.634 1.00 0.00 N ATOM 701 CA GLU A 43 -6.997 -22.287 5.829 1.00 0.00 C ATOM 702 C GLU A 43 -7.740 -22.556 4.513 1.00 0.00 C ATOM 703 O GLU A 43 -8.517 -23.506 4.419 1.00 0.00 O ATOM 704 CB GLU A 43 -7.708 -21.131 6.556 1.00 0.00 C ATOM 705 CG GLU A 43 -7.000 -20.594 7.818 1.00 0.00 C ATOM 706 CD GLU A 43 -6.880 -21.606 8.954 1.00 0.00 C ATOM 707 OE1 GLU A 43 -5.995 -21.395 9.822 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.649 -22.584 9.004 1.00 0.00 O ATOM 0 H GLU A 43 -5.407 -20.984 5.420 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.019 -23.201 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.832 -20.307 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.707 -21.464 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.001 -20.255 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.544 -19.722 8.181 1.00 0.00 H new ATOM 715 N HIS A 44 -7.548 -21.696 3.517 1.00 0.00 N ATOM 716 CA HIS A 44 -8.437 -21.725 2.334 1.00 0.00 C ATOM 717 C HIS A 44 -7.933 -22.433 1.089 1.00 0.00 C ATOM 718 O HIS A 44 -8.717 -23.081 0.403 1.00 0.00 O ATOM 719 CB HIS A 44 -8.838 -20.297 1.934 1.00 0.00 C ATOM 720 CG HIS A 44 -9.548 -19.542 3.013 1.00 0.00 C ATOM 721 ND1 HIS A 44 -8.924 -18.753 3.947 1.00 0.00 N ATOM 722 CD2 HIS A 44 -10.877 -19.440 3.297 1.00 0.00 C ATOM 723 CE1 HIS A 44 -9.853 -18.232 4.740 1.00 0.00 C ATOM 724 NE2 HIS A 44 -11.063 -18.615 4.390 1.00 0.00 N ATOM 0 H HIS A 44 -6.814 -20.988 3.492 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.275 -22.327 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.943 -19.746 1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.480 -20.343 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.668 -19.931 2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.642 -17.575 5.570 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.947 -18.358 4.830 1.00 0.00 H new ATOM 732 N ARG A 45 -6.638 -22.293 0.804 1.00 0.00 N ATOM 733 CA ARG A 45 -5.979 -22.882 -0.390 1.00 0.00 C ATOM 734 C ARG A 45 -6.868 -22.951 -1.648 1.00 0.00 C ATOM 735 O ARG A 45 -6.972 -23.993 -2.294 1.00 0.00 O ATOM 736 CB ARG A 45 -5.389 -24.266 -0.043 1.00 0.00 C ATOM 737 CG ARG A 45 -6.378 -25.267 0.587 1.00 0.00 C ATOM 738 CD ARG A 45 -5.691 -26.551 1.047 1.00 0.00 C ATOM 739 NE ARG A 45 -4.574 -26.290 1.978 1.00 0.00 N ATOM 740 CZ ARG A 45 -4.694 -25.885 3.240 1.00 0.00 C ATOM 741 NH1 ARG A 45 -5.847 -25.655 3.805 1.00 0.00 N ATOM 742 NH2 ARG A 45 -3.620 -25.699 3.950 1.00 0.00 N ATOM 0 H ARG A 45 -5.998 -21.763 1.396 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.175 -22.196 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.982 -24.707 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.554 -24.125 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.873 -24.798 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.154 -25.513 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.422 -27.197 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.317 -27.091 0.177 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.629 -26.433 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.709 -25.784 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.886 -25.346 4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.701 -25.863 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.696 -25.389 4.919 1.00 0.00 H new ATOM 756 N THR A 46 -7.499 -21.830 -1.986 1.00 0.00 N ATOM 757 CA THR A 46 -8.406 -21.762 -3.135 1.00 0.00 C ATOM 758 C THR A 46 -7.762 -22.077 -4.491 1.00 0.00 C ATOM 759 O THR A 46 -6.553 -22.286 -4.609 1.00 0.00 O ATOM 760 CB THR A 46 -9.040 -20.353 -3.244 1.00 0.00 C ATOM 761 OG1 THR A 46 -8.032 -19.392 -3.570 1.00 0.00 O ATOM 762 CG2 THR A 46 -9.674 -19.952 -1.944 1.00 0.00 C ATOM 0 H THR A 46 -7.400 -20.950 -1.479 1.00 0.00 H new ATOM 0 HA THR A 46 -9.147 -22.536 -2.935 1.00 0.00 H new ATOM 0 HB THR A 46 -9.801 -20.385 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.445 -18.510 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.113 -18.959 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.453 -20.668 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.917 -19.937 -1.160 1.00 0.00 H new ATOM 770 N VAL A 47 -8.602 -22.088 -5.524 1.00 0.00 N ATOM 771 CA VAL A 47 -8.199 -22.391 -6.906 1.00 0.00 C ATOM 772 C VAL A 47 -7.078 -21.468 -7.426 1.00 0.00 C ATOM 773 O VAL A 47 -6.447 -21.747 -8.444 1.00 0.00 O ATOM 774 CB VAL A 47 -9.460 -22.330 -7.838 1.00 0.00 C ATOM 775 CG1 VAL A 47 -9.892 -20.874 -8.106 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.224 -23.079 -9.158 1.00 0.00 C ATOM 0 H VAL A 47 -9.597 -21.885 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.780 -23.397 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.272 -22.831 -7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.768 -20.868 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.136 -20.387 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.077 -20.336 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.119 -23.015 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.384 -22.629 -9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.002 -24.125 -8.948 1.00 0.00 H new ATOM 786 N GLU A 48 -6.802 -20.388 -6.708 1.00 0.00 N ATOM 787 CA GLU A 48 -5.707 -19.486 -7.054 1.00 0.00 C ATOM 788 C GLU A 48 -4.340 -20.097 -6.730 1.00 0.00 C ATOM 789 O GLU A 48 -3.342 -19.392 -6.738 1.00 0.00 O ATOM 790 CB GLU A 48 -5.839 -18.166 -6.293 1.00 0.00 C ATOM 791 CG GLU A 48 -7.056 -17.364 -6.660 1.00 0.00 C ATOM 792 CD GLU A 48 -6.828 -15.890 -6.408 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.512 -15.502 -5.258 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.941 -15.099 -7.369 1.00 0.00 O ATOM 0 H GLU A 48 -7.324 -20.112 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.771 -19.312 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.865 -18.377 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.950 -17.562 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.299 -17.524 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.912 -17.708 -6.079 1.00 0.00 H new ATOM 801 N VAL A 49 -4.284 -21.396 -6.456 1.00 0.00 N ATOM 802 CA VAL A 49 -3.024 -22.087 -6.150 1.00 0.00 C ATOM 803 C VAL A 49 -1.902 -21.793 -7.153 1.00 0.00 C ATOM 804 O VAL A 49 -0.737 -21.728 -6.777 1.00 0.00 O ATOM 805 CB VAL A 49 -3.210 -23.632 -6.058 1.00 0.00 C ATOM 806 CG1 VAL A 49 -3.504 -24.045 -4.610 1.00 0.00 C ATOM 807 CG2 VAL A 49 -4.342 -24.125 -6.988 1.00 0.00 C ATOM 0 H VAL A 49 -5.104 -22.003 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.728 -21.689 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.280 -24.098 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.632 -25.126 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.673 -23.747 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.417 -23.555 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.443 -25.207 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.280 -23.648 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.103 -23.868 -8.020 1.00 0.00 H new ATOM 817 N GLU A 50 -2.245 -21.589 -8.421 1.00 0.00 N ATOM 818 CA GLU A 50 -1.239 -21.286 -9.447 1.00 0.00 C ATOM 819 C GLU A 50 -0.559 -19.926 -9.199 1.00 0.00 C ATOM 820 O GLU A 50 0.559 -19.680 -9.664 1.00 0.00 O ATOM 821 CB GLU A 50 -1.869 -21.349 -10.851 1.00 0.00 C ATOM 822 CG GLU A 50 -2.800 -20.180 -11.223 1.00 0.00 C ATOM 823 CD GLU A 50 -2.051 -19.019 -11.879 1.00 0.00 C ATOM 824 OE1 GLU A 50 -2.155 -17.879 -11.382 1.00 0.00 O ATOM 825 OE2 GLU A 50 -1.342 -19.242 -12.882 1.00 0.00 O ATOM 0 H GLU A 50 -3.204 -21.626 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.459 -22.045 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.066 -21.397 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.433 -22.278 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.574 -20.538 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.304 -19.822 -10.325 1.00 0.00 H new ATOM 832 N LYS A 51 -1.230 -19.060 -8.452 1.00 0.00 N ATOM 833 CA LYS A 51 -0.722 -17.732 -8.105 1.00 0.00 C ATOM 834 C LYS A 51 -0.266 -17.681 -6.650 1.00 0.00 C ATOM 835 O LYS A 51 0.593 -16.886 -6.309 1.00 0.00 O ATOM 836 CB LYS A 51 -1.804 -16.677 -8.419 1.00 0.00 C ATOM 837 CG LYS A 51 -2.281 -15.806 -7.258 1.00 0.00 C ATOM 838 CD LYS A 51 -3.382 -14.867 -7.738 1.00 0.00 C ATOM 839 CE LYS A 51 -3.836 -13.939 -6.625 1.00 0.00 C ATOM 840 NZ LYS A 51 -4.996 -13.090 -7.047 1.00 0.00 N ATOM 0 H LYS A 51 -2.152 -19.258 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 51 0.158 -17.508 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.420 -16.020 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.670 -17.193 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.653 -16.434 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.447 -15.229 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.020 -14.278 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.230 -15.450 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.116 -14.528 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.007 -13.298 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.975 -12.190 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.935 -12.902 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.885 -13.589 -6.839 1.00 0.00 H new ATOM 854 N VAL A 52 -0.829 -18.548 -5.815 1.00 0.00 N ATOM 855 CA VAL A 52 -0.483 -18.639 -4.383 1.00 0.00 C ATOM 856 C VAL A 52 0.981 -19.097 -4.182 1.00 0.00 C ATOM 857 O VAL A 52 1.526 -18.959 -3.085 1.00 0.00 O ATOM 858 CB VAL A 52 -1.533 -19.558 -3.637 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.116 -19.943 -2.211 1.00 0.00 C ATOM 860 CG2 VAL A 52 -2.897 -18.833 -3.553 1.00 0.00 C ATOM 0 H VAL A 52 -1.544 -19.216 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.542 -17.647 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.594 -20.474 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.885 -20.573 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.173 -20.489 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.993 -19.041 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.617 -19.470 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.780 -17.900 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.257 -18.618 -4.559 1.00 0.00 H new ATOM 870 N HIS A 53 1.623 -19.602 -5.236 1.00 0.00 N ATOM 871 CA HIS A 53 3.055 -19.941 -5.176 1.00 0.00 C ATOM 872 C HIS A 53 3.787 -18.738 -4.583 1.00 0.00 C ATOM 873 O HIS A 53 3.653 -17.619 -5.076 1.00 0.00 O ATOM 874 CB HIS A 53 3.614 -20.252 -6.567 1.00 0.00 C ATOM 875 CG HIS A 53 3.120 -21.542 -7.140 1.00 0.00 C ATOM 876 ND1 HIS A 53 2.216 -21.642 -8.167 1.00 0.00 N ATOM 877 CD2 HIS A 53 3.438 -22.830 -6.825 1.00 0.00 C ATOM 878 CE1 HIS A 53 2.015 -22.931 -8.419 1.00 0.00 C ATOM 879 NE2 HIS A 53 2.739 -23.702 -7.633 1.00 0.00 N ATOM 0 H HIS A 53 1.183 -19.786 -6.138 1.00 0.00 H new ATOM 0 HA HIS A 53 3.195 -20.831 -4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.351 -19.440 -7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.702 -20.282 -6.513 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.774 -20.862 -8.653 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.136 -23.124 -6.055 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.340 -23.302 -9.176 1.00 0.00 H new ATOM 887 N LEU A 54 4.518 -18.975 -3.501 1.00 0.00 N ATOM 888 CA LEU A 54 5.039 -17.897 -2.663 1.00 0.00 C ATOM 889 C LEU A 54 5.768 -16.784 -3.386 1.00 0.00 C ATOM 890 O LEU A 54 5.443 -15.632 -3.196 1.00 0.00 O ATOM 891 CB LEU A 54 5.956 -18.468 -1.573 1.00 0.00 C ATOM 892 CG LEU A 54 5.307 -19.435 -0.566 1.00 0.00 C ATOM 893 CD1 LEU A 54 6.386 -20.000 0.354 1.00 0.00 C ATOM 894 CD2 LEU A 54 4.219 -18.751 0.272 1.00 0.00 C ATOM 0 H LEU A 54 4.766 -19.911 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 54 4.146 -17.434 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.782 -18.986 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.385 -17.634 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 54 4.829 -20.237 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.932 -20.686 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.128 -20.534 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.870 -19.184 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.789 -19.471 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.656 -17.923 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.437 -18.372 -0.386 1.00 0.00 H new ATOM 906 N GLU A 55 6.754 -17.104 -4.203 1.00 0.00 N ATOM 907 CA GLU A 55 7.559 -16.069 -4.851 1.00 0.00 C ATOM 908 C GLU A 55 6.690 -15.178 -5.733 1.00 0.00 C ATOM 909 O GLU A 55 6.811 -13.948 -5.722 1.00 0.00 O ATOM 910 CB GLU A 55 8.666 -16.712 -5.701 1.00 0.00 C ATOM 911 CG GLU A 55 9.665 -17.581 -4.908 1.00 0.00 C ATOM 912 CD GLU A 55 9.074 -18.918 -4.443 1.00 0.00 C ATOM 913 OE1 GLU A 55 9.569 -19.466 -3.441 1.00 0.00 O ATOM 914 OE2 GLU A 55 8.106 -19.411 -5.073 1.00 0.00 O ATOM 0 H GLU A 55 7.020 -18.061 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 55 8.011 -15.455 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.202 -17.327 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.218 -15.923 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.539 -17.775 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.010 -17.023 -4.038 1.00 0.00 H new ATOM 921 N LYS A 56 5.803 -15.809 -6.490 1.00 0.00 N ATOM 922 CA LYS A 56 4.905 -15.100 -7.402 1.00 0.00 C ATOM 923 C LYS A 56 3.936 -14.225 -6.618 1.00 0.00 C ATOM 924 O LYS A 56 3.770 -13.043 -6.919 1.00 0.00 O ATOM 925 CB LYS A 56 4.139 -16.130 -8.249 1.00 0.00 C ATOM 926 CG LYS A 56 3.138 -15.550 -9.245 1.00 0.00 C ATOM 927 CD LYS A 56 2.500 -16.687 -10.042 1.00 0.00 C ATOM 928 CE LYS A 56 1.343 -16.203 -10.919 1.00 0.00 C ATOM 929 NZ LYS A 56 0.658 -17.373 -11.588 1.00 0.00 N ATOM 0 H LYS A 56 5.683 -16.822 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 56 5.487 -14.452 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.863 -16.733 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.607 -16.803 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.370 -14.984 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.639 -14.855 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.257 -17.157 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.137 -17.451 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.625 -15.653 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.717 -15.512 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.356 -17.168 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.078 -17.531 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.780 -18.226 -11.006 1.00 0.00 H new ATOM 943 N LYS A 57 3.307 -14.800 -5.606 1.00 0.00 N ATOM 944 CA LYS A 57 2.328 -14.067 -4.814 1.00 0.00 C ATOM 945 C LYS A 57 2.968 -12.917 -4.057 1.00 0.00 C ATOM 946 O LYS A 57 2.429 -11.817 -4.055 1.00 0.00 O ATOM 947 CB LYS A 57 1.614 -15.020 -3.856 1.00 0.00 C ATOM 948 CG LYS A 57 0.114 -14.773 -3.781 1.00 0.00 C ATOM 949 CD LYS A 57 -0.237 -13.724 -2.760 1.00 0.00 C ATOM 950 CE LYS A 57 -1.008 -12.582 -3.370 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.653 -11.795 -2.271 1.00 0.00 N ATOM 0 H LYS A 57 3.454 -15.766 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 57 1.595 -13.635 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.792 -16.047 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.044 -14.915 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.251 -14.462 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.394 -15.705 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.828 -14.176 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.676 -13.342 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.342 -11.944 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.764 -12.961 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.089 -10.938 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.384 -12.375 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.934 -11.525 -1.569 1.00 0.00 H new ATOM 965 N LEU A 58 4.118 -13.162 -3.440 1.00 0.00 N ATOM 966 CA LEU A 58 4.841 -12.119 -2.713 1.00 0.00 C ATOM 967 C LEU A 58 5.189 -11.003 -3.680 1.00 0.00 C ATOM 968 O LEU A 58 4.953 -9.830 -3.402 1.00 0.00 O ATOM 969 CB LEU A 58 6.145 -12.668 -2.107 1.00 0.00 C ATOM 970 CG LEU A 58 6.042 -13.580 -0.871 1.00 0.00 C ATOM 971 CD1 LEU A 58 7.360 -14.337 -0.675 1.00 0.00 C ATOM 972 CD2 LEU A 58 5.730 -12.785 0.373 1.00 0.00 C ATOM 0 H LEU A 58 4.573 -14.075 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 58 4.206 -11.755 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.668 -13.221 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.774 -11.818 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 58 5.229 -14.286 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.283 -14.981 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.565 -14.945 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.171 -13.624 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.664 -13.458 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.521 -12.055 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.780 -12.267 0.245 1.00 0.00 H new ATOM 984 N ARG A 59 5.742 -11.370 -4.830 1.00 0.00 N ATOM 985 CA ARG A 59 6.145 -10.378 -5.827 1.00 0.00 C ATOM 986 C ARG A 59 4.978 -9.495 -6.229 1.00 0.00 C ATOM 987 O ARG A 59 5.102 -8.275 -6.242 1.00 0.00 O ATOM 988 CB ARG A 59 6.702 -11.089 -7.064 1.00 0.00 C ATOM 989 CG ARG A 59 7.035 -10.181 -8.234 1.00 0.00 C ATOM 990 CD ARG A 59 7.502 -11.018 -9.406 1.00 0.00 C ATOM 991 NE ARG A 59 7.719 -10.200 -10.610 1.00 0.00 N ATOM 992 CZ ARG A 59 8.155 -10.659 -11.778 1.00 0.00 C ATOM 993 NH1 ARG A 59 8.453 -11.922 -11.965 1.00 0.00 N ATOM 994 NH2 ARG A 59 8.295 -9.831 -12.774 1.00 0.00 N ATOM 0 H ARG A 59 5.922 -12.338 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 59 6.914 -9.745 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.603 -11.631 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.975 -11.831 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.159 -9.598 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.811 -9.471 -7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.428 -11.529 -9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.762 -11.790 -9.619 1.00 0.00 H new ATOM 0 HE ARG A 59 7.519 -9.202 -10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.353 -12.588 -11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.785 -12.238 -12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.071 -8.843 -12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.629 -10.170 -13.676 1.00 0.00 H new ATOM 1008 N ASP A 60 3.857 -10.099 -6.572 1.00 0.00 N ATOM 1009 CA ASP A 60 2.713 -9.338 -7.063 1.00 0.00 C ATOM 1010 C ASP A 60 2.040 -8.494 -5.975 1.00 0.00 C ATOM 1011 O ASP A 60 1.635 -7.349 -6.225 1.00 0.00 O ATOM 1012 CB ASP A 60 1.692 -10.289 -7.698 1.00 0.00 C ATOM 1013 CG ASP A 60 2.204 -10.914 -8.999 1.00 0.00 C ATOM 1014 OD1 ASP A 60 1.655 -11.959 -9.415 1.00 0.00 O ATOM 1015 OD2 ASP A 60 3.149 -10.354 -9.611 1.00 0.00 O ATOM 0 H ASP A 60 3.709 -11.107 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 60 3.092 -8.640 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.448 -11.081 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.769 -9.745 -7.898 1.00 0.00 H new ATOM 1020 N GLU A 61 1.918 -9.032 -4.770 1.00 0.00 N ATOM 1021 CA GLU A 61 1.244 -8.308 -3.693 1.00 0.00 C ATOM 1022 C GLU A 61 2.079 -7.113 -3.213 1.00 0.00 C ATOM 1023 O GLU A 61 1.554 -5.999 -3.046 1.00 0.00 O ATOM 1024 CB GLU A 61 0.881 -9.267 -2.544 1.00 0.00 C ATOM 1025 CG GLU A 61 2.020 -9.627 -1.599 1.00 0.00 C ATOM 1026 CD GLU A 61 1.713 -10.796 -0.698 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.618 -11.187 0.066 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.583 -11.336 -0.754 1.00 0.00 O ATOM 0 H GLU A 61 2.270 -9.954 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 61 0.313 -7.897 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.078 -8.818 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.486 -10.187 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.909 -9.856 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.259 -8.759 -0.985 1.00 0.00 H new ATOM 1035 N ILE A 62 3.379 -7.297 -3.016 1.00 0.00 N ATOM 1036 CA ILE A 62 4.191 -6.177 -2.582 1.00 0.00 C ATOM 1037 C ILE A 62 4.419 -5.222 -3.740 1.00 0.00 C ATOM 1038 O ILE A 62 4.757 -4.075 -3.525 1.00 0.00 O ATOM 1039 CB ILE A 62 5.493 -6.590 -1.867 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.590 -7.036 -2.840 1.00 0.00 C ATOM 1041 CG2 ILE A 62 5.176 -7.648 -0.773 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.872 -7.385 -2.108 1.00 0.00 C ATOM 0 H ILE A 62 3.876 -8.179 -3.145 1.00 0.00 H new ATOM 0 HA ILE A 62 3.631 -5.647 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 62 5.908 -5.711 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.246 -7.901 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.785 -6.241 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.098 -7.938 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.484 -7.224 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.724 -8.525 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.629 -7.697 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.229 -6.511 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.681 -8.198 -1.407 1.00 0.00 H new ATOM 1054 N ASN A 63 4.201 -5.668 -4.973 1.00 0.00 N ATOM 1055 CA ASN A 63 4.262 -4.746 -6.108 1.00 0.00 C ATOM 1056 C ASN A 63 3.001 -3.886 -6.097 1.00 0.00 C ATOM 1057 O ASN A 63 3.049 -2.716 -6.457 1.00 0.00 O ATOM 1058 CB ASN A 63 4.376 -5.478 -7.443 1.00 0.00 C ATOM 1059 CG ASN A 63 4.432 -4.531 -8.609 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.244 -3.614 -8.643 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.575 -4.740 -9.571 1.00 0.00 N ATOM 0 H ASN A 63 3.986 -6.636 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 63 5.156 -4.131 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.272 -6.099 -7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.524 -6.147 -7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.566 -4.129 -10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.914 -5.514 -9.506 1.00 0.00 H new ATOM 1068 N LEU A 64 1.880 -4.449 -5.667 1.00 0.00 N ATOM 1069 CA LEU A 64 0.646 -3.668 -5.515 1.00 0.00 C ATOM 1070 C LEU A 64 0.853 -2.670 -4.372 1.00 0.00 C ATOM 1071 O LEU A 64 0.557 -1.471 -4.509 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.542 -4.606 -5.229 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.938 -4.019 -4.945 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.082 -3.556 -3.495 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.308 -2.889 -5.911 1.00 0.00 C ATOM 0 H LEU A 64 1.793 -5.434 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 64 0.419 -3.126 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.640 -5.275 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.269 -5.222 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.643 -4.834 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.081 -3.150 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.927 -4.402 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.340 -2.786 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.301 -2.512 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.581 -2.082 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.306 -3.269 -6.933 1.00 0.00 H new ATOM 1087 N ALA A 65 1.380 -3.149 -3.254 1.00 0.00 N ATOM 1088 CA ALA A 65 1.659 -2.259 -2.125 1.00 0.00 C ATOM 1089 C ALA A 65 2.684 -1.182 -2.541 1.00 0.00 C ATOM 1090 O ALA A 65 2.662 -0.057 -2.059 1.00 0.00 O ATOM 1091 CB ALA A 65 2.161 -3.064 -0.955 1.00 0.00 C ATOM 0 H ALA A 65 1.621 -4.128 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 65 0.741 -1.753 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.367 -2.398 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.404 -3.792 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.075 -3.586 -1.238 1.00 0.00 H new ATOM 1097 N LYS A 66 3.575 -1.520 -3.463 1.00 0.00 N ATOM 1098 CA LYS A 66 4.532 -0.550 -3.999 1.00 0.00 C ATOM 1099 C LYS A 66 3.813 0.535 -4.799 1.00 0.00 C ATOM 1100 O LYS A 66 4.259 1.678 -4.809 1.00 0.00 O ATOM 1101 CB LYS A 66 5.572 -1.256 -4.870 1.00 0.00 C ATOM 1102 CG LYS A 66 6.755 -0.404 -5.260 1.00 0.00 C ATOM 1103 CD LYS A 66 7.726 -1.238 -6.069 1.00 0.00 C ATOM 1104 CE LYS A 66 8.975 -0.449 -6.409 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.930 -1.299 -7.192 1.00 0.00 N ATOM 0 H LYS A 66 3.659 -2.457 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 66 5.043 -0.074 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.935 -2.135 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.084 -1.612 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.423 0.455 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.247 -0.014 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.999 -2.131 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.244 -1.574 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.708 0.436 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.454 -0.101 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.781 -0.746 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.197 -2.131 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.475 -1.610 -8.074 1.00 0.00 H new ATOM 1119 N GLN A 67 2.706 0.199 -5.454 1.00 0.00 N ATOM 1120 CA GLN A 67 1.930 1.216 -6.172 1.00 0.00 C ATOM 1121 C GLN A 67 1.339 2.123 -5.110 1.00 0.00 C ATOM 1122 O GLN A 67 1.441 3.343 -5.207 1.00 0.00 O ATOM 1123 CB GLN A 67 0.787 0.633 -7.023 1.00 0.00 C ATOM 1124 CG GLN A 67 1.204 -0.405 -8.048 1.00 0.00 C ATOM 1125 CD GLN A 67 2.351 0.050 -8.916 1.00 0.00 C ATOM 1126 OE1 GLN A 67 2.268 1.058 -9.600 1.00 0.00 O ATOM 1127 NE2 GLN A 67 3.425 -0.698 -8.903 1.00 0.00 N ATOM 0 H GLN A 67 2.328 -0.747 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 67 2.589 1.734 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.052 0.185 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.289 1.452 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.488 -1.323 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.350 -0.646 -8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.458 -1.533 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.229 -0.446 -9.477 1.00 0.00 H new ATOM 1136 N GLU A 68 0.743 1.521 -4.087 1.00 0.00 N ATOM 1137 CA GLU A 68 0.205 2.293 -2.963 1.00 0.00 C ATOM 1138 C GLU A 68 1.291 3.219 -2.370 1.00 0.00 C ATOM 1139 O GLU A 68 1.075 4.418 -2.194 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.325 1.332 -1.884 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.229 1.984 -0.863 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.548 1.072 0.324 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.224 1.548 1.262 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.119 -0.108 0.328 1.00 0.00 O ATOM 0 H GLU A 68 0.619 0.512 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.614 2.916 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.869 0.522 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.522 0.881 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.756 2.895 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.160 2.280 -1.347 1.00 0.00 H new ATOM 1151 N ALA A 69 2.463 2.670 -2.081 1.00 0.00 N ATOM 1152 CA ALA A 69 3.564 3.447 -1.500 1.00 0.00 C ATOM 1153 C ALA A 69 4.068 4.581 -2.416 1.00 0.00 C ATOM 1154 O ALA A 69 4.402 5.667 -1.937 1.00 0.00 O ATOM 1155 CB ALA A 69 4.719 2.507 -1.140 1.00 0.00 C ATOM 0 H ALA A 69 2.682 1.686 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 69 3.172 3.931 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.537 3.084 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.375 1.768 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.068 1.999 -2.039 1.00 0.00 H new ATOM 1161 N GLN A 70 4.127 4.342 -3.720 1.00 0.00 N ATOM 1162 CA GLN A 70 4.558 5.378 -4.668 1.00 0.00 C ATOM 1163 C GLN A 70 3.570 6.534 -4.615 1.00 0.00 C ATOM 1164 O GLN A 70 3.958 7.714 -4.614 1.00 0.00 O ATOM 1165 CB GLN A 70 4.625 4.810 -6.094 1.00 0.00 C ATOM 1166 CG GLN A 70 4.853 5.867 -7.199 1.00 0.00 C ATOM 1167 CD GLN A 70 3.559 6.269 -7.901 1.00 0.00 C ATOM 1168 OE1 GLN A 70 2.812 5.416 -8.350 1.00 0.00 O ATOM 1169 NE2 GLN A 70 3.303 7.550 -8.004 1.00 0.00 N ATOM 0 H GLN A 70 3.885 3.449 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 70 5.553 5.727 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.429 4.076 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.696 4.279 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.315 6.752 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.554 5.473 -7.935 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.953 8.233 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.453 7.864 -8.473 1.00 0.00 H new ATOM 1178 N ARG A 71 2.292 6.196 -4.556 1.00 0.00 N ATOM 1179 CA ARG A 71 1.254 7.208 -4.466 1.00 0.00 C ATOM 1180 C ARG A 71 1.428 7.996 -3.187 1.00 0.00 C ATOM 1181 O ARG A 71 1.353 9.209 -3.199 1.00 0.00 O ATOM 1182 CB ARG A 71 -0.130 6.566 -4.493 1.00 0.00 C ATOM 1183 CG ARG A 71 -0.773 6.590 -5.851 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.268 5.533 -6.798 1.00 0.00 C ATOM 1185 NE ARG A 71 -0.720 5.875 -8.150 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.494 5.177 -9.249 1.00 0.00 C ATOM 1187 NH1 ARG A 71 0.178 4.052 -9.245 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -0.962 5.637 -10.374 1.00 0.00 N ATOM 0 H ARG A 71 1.951 5.235 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 71 1.341 7.875 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.050 5.533 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.776 7.084 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.850 6.469 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.610 7.570 -6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.820 5.480 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.644 4.552 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.261 6.734 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.550 3.683 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.329 3.545 -10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.486 6.512 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.805 5.122 -11.240 1.00 0.00 H new ATOM 1202 N LEU A 72 1.683 7.316 -2.080 1.00 0.00 N ATOM 1203 CA LEU A 72 1.841 7.987 -0.802 1.00 0.00 C ATOM 1204 C LEU A 72 3.111 8.827 -0.789 1.00 0.00 C ATOM 1205 O LEU A 72 3.182 9.804 -0.072 1.00 0.00 O ATOM 1206 CB LEU A 72 1.776 6.965 0.324 1.00 0.00 C ATOM 1207 CG LEU A 72 0.324 6.458 0.458 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.290 5.053 0.973 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.500 7.373 1.371 1.00 0.00 C ATOM 0 H LEU A 72 1.785 6.302 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 72 1.020 8.687 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.448 6.132 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.106 7.415 1.260 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.120 6.474 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.745 4.721 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.825 4.400 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.765 5.013 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.518 6.991 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.048 7.400 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.520 8.380 0.954 1.00 0.00 H new ATOM 1221 N LYS A 73 4.098 8.481 -1.610 1.00 0.00 N ATOM 1222 CA LYS A 73 5.290 9.327 -1.783 1.00 0.00 C ATOM 1223 C LYS A 73 4.928 10.573 -2.607 1.00 0.00 C ATOM 1224 O LYS A 73 5.355 11.697 -2.284 1.00 0.00 O ATOM 1225 CB LYS A 73 6.425 8.532 -2.466 1.00 0.00 C ATOM 1226 CG LYS A 73 7.636 9.377 -2.928 1.00 0.00 C ATOM 1227 CD LYS A 73 7.501 9.801 -4.410 1.00 0.00 C ATOM 1228 CE LYS A 73 8.605 10.748 -4.846 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.283 11.333 -6.200 1.00 0.00 N ATOM 0 H LYS A 73 4.103 7.626 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 73 5.644 9.645 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.779 7.768 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.013 8.013 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.722 10.265 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.553 8.803 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.518 8.913 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.534 10.281 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.719 11.547 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.555 10.216 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.162 11.460 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.649 10.689 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.816 12.254 -6.078 1.00 0.00 H new ATOM 1243 N GLU A 74 4.159 10.384 -3.672 1.00 0.00 N ATOM 1244 CA GLU A 74 3.786 11.514 -4.530 1.00 0.00 C ATOM 1245 C GLU A 74 2.970 12.499 -3.698 1.00 0.00 C ATOM 1246 O GLU A 74 3.152 13.708 -3.786 1.00 0.00 O ATOM 1247 CB GLU A 74 2.999 11.039 -5.755 1.00 0.00 C ATOM 1248 CG GLU A 74 2.849 12.127 -6.849 1.00 0.00 C ATOM 1249 CD GLU A 74 3.440 11.741 -8.219 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.218 12.515 -9.185 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.129 10.691 -8.334 1.00 0.00 O ATOM 0 H GLU A 74 3.785 9.481 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 74 4.684 12.006 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.498 10.170 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.008 10.714 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.790 12.354 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.332 13.041 -6.503 1.00 0.00 H new ATOM 1258 N LEU A 75 2.094 11.966 -2.863 1.00 0.00 N ATOM 1259 CA LEU A 75 1.311 12.782 -1.945 1.00 0.00 C ATOM 1260 C LEU A 75 2.250 13.449 -0.921 1.00 0.00 C ATOM 1261 O LEU A 75 2.088 14.629 -0.595 1.00 0.00 O ATOM 1262 CB LEU A 75 0.266 11.903 -1.242 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.857 11.318 -2.119 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.562 10.188 -1.379 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.875 12.367 -2.506 1.00 0.00 C ATOM 0 H LEU A 75 1.905 10.966 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 75 0.789 13.565 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.787 11.075 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.195 12.492 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.393 10.940 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.354 9.781 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.844 9.402 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.993 10.572 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.649 11.912 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.327 12.784 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.383 13.162 -3.067 1.00 0.00 H new ATOM 1277 N ARG A 76 3.246 12.701 -0.439 1.00 0.00 N ATOM 1278 CA ARG A 76 4.239 13.218 0.526 1.00 0.00 C ATOM 1279 C ARG A 76 5.020 14.402 0.001 1.00 0.00 C ATOM 1280 O ARG A 76 5.591 15.150 0.794 1.00 0.00 O ATOM 1281 CB ARG A 76 5.227 12.120 0.977 1.00 0.00 C ATOM 1282 CG ARG A 76 6.712 12.331 0.583 1.00 0.00 C ATOM 1283 CD ARG A 76 7.547 11.103 0.865 1.00 0.00 C ATOM 1284 NE ARG A 76 8.505 11.351 1.955 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.239 10.420 2.558 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.159 9.151 2.239 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.063 10.777 3.502 1.00 0.00 N ATOM 0 H ARG A 76 3.393 11.726 -0.700 1.00 0.00 H new ATOM 0 HA ARG A 76 3.654 13.554 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.170 12.032 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.894 11.168 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.775 12.578 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.117 13.180 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.896 10.270 1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.085 10.811 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 76 8.615 12.314 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.518 8.849 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.738 8.466 2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.138 11.759 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.633 10.075 3.974 1.00 0.00 H new ATOM 1301 N GLU A 77 5.045 14.604 -1.314 1.00 0.00 N ATOM 1302 CA GLU A 77 5.703 15.810 -1.851 1.00 0.00 C ATOM 1303 C GLU A 77 5.040 17.073 -1.259 1.00 0.00 C ATOM 1304 O GLU A 77 5.646 18.143 -1.218 1.00 0.00 O ATOM 1305 CB GLU A 77 5.689 15.843 -3.381 1.00 0.00 C ATOM 1306 CG GLU A 77 6.499 14.700 -3.993 1.00 0.00 C ATOM 1307 CD GLU A 77 6.725 14.848 -5.494 1.00 0.00 C ATOM 1308 OE1 GLU A 77 7.414 13.959 -6.057 1.00 0.00 O ATOM 1309 OE2 GLU A 77 6.247 15.826 -6.116 1.00 0.00 O ATOM 0 H GLU A 77 4.637 13.980 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 77 6.751 15.784 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.659 15.785 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.091 16.796 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.466 14.642 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.984 13.758 -3.803 1.00 0.00 H new ATOM 1316 N GLY A 78 3.815 16.926 -0.760 1.00 0.00 N ATOM 1317 CA GLY A 78 3.185 17.971 0.031 1.00 0.00 C ATOM 1318 C GLY A 78 2.750 19.221 -0.691 1.00 0.00 C ATOM 1319 O GLY A 78 2.691 20.291 -0.081 1.00 0.00 O ATOM 0 H GLY A 78 3.242 16.092 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.310 17.542 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.879 18.262 0.819 1.00 0.00 H new ATOM 1323 N THR A 79 2.433 19.109 -1.970 1.00 0.00 N ATOM 1324 CA THR A 79 1.939 20.253 -2.727 1.00 0.00 C ATOM 1325 C THR A 79 0.574 20.626 -2.127 1.00 0.00 C ATOM 1326 O THR A 79 -0.369 19.853 -2.199 1.00 0.00 O ATOM 1327 CB THR A 79 1.814 19.904 -4.231 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.004 19.230 -4.652 1.00 0.00 O ATOM 1329 CG2 THR A 79 1.672 21.150 -5.079 1.00 0.00 C ATOM 0 H THR A 79 2.507 18.244 -2.506 1.00 0.00 H new ATOM 0 HA THR A 79 2.629 21.094 -2.660 1.00 0.00 H new ATOM 0 HB THR A 79 0.929 19.280 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.788 18.608 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.587 20.868 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.779 21.696 -4.776 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.548 21.784 -4.944 1.00 0.00 H new ATOM 1337 N GLU A 80 0.478 21.800 -1.509 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.744 22.204 -0.789 1.00 0.00 C ATOM 1339 C GLU A 80 -1.891 22.668 -1.684 1.00 0.00 C ATOM 1340 O GLU A 80 -2.936 23.108 -1.208 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.411 23.287 0.247 1.00 0.00 C ATOM 1342 CG GLU A 80 -0.182 24.704 -0.286 1.00 0.00 C ATOM 1343 CD GLU A 80 0.148 25.696 0.839 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.902 25.339 1.774 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.358 26.843 0.801 1.00 0.00 O ATOM 0 H GLU A 80 1.226 22.493 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.106 21.301 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.223 23.324 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.484 22.978 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.633 24.692 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.073 25.040 -0.816 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.694 22.569 -2.986 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.708 22.965 -3.946 1.00 0.00 C ATOM 1354 C ASN A 81 -2.567 22.111 -5.186 1.00 0.00 C ATOM 1355 O ASN A 81 -1.457 21.910 -5.667 1.00 0.00 O ATOM 1356 CB ASN A 81 -2.524 24.433 -4.330 1.00 0.00 C ATOM 1357 CG ASN A 81 -3.501 24.872 -5.383 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.200 24.852 -6.567 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -4.674 25.259 -4.967 1.00 0.00 N ATOM 0 H ASN A 81 -0.834 22.215 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.695 22.832 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.644 25.056 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.508 24.587 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.380 25.560 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.886 25.261 -3.969 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.685 21.631 -5.709 1.00 0.00 N ATOM 1367 CA GLU A 82 -3.704 20.839 -6.942 1.00 0.00 C ATOM 1368 C GLU A 82 -3.517 21.730 -8.179 1.00 0.00 C ATOM 1369 O GLU A 82 -4.336 21.740 -9.104 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.022 20.078 -7.050 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.249 19.083 -5.941 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.400 18.161 -6.269 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -6.176 16.941 -6.388 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -7.537 18.667 -6.433 1.00 0.00 O ATOM 0 H GLU A 82 -4.606 21.776 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.875 20.132 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.844 20.794 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.050 19.554 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.343 18.498 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.455 19.611 -5.010 1.00 0.00 H new ATOM 1381 N ARG A 83 -2.433 22.490 -8.182 1.00 0.00 N ATOM 1382 CA ARG A 83 -2.087 23.362 -9.295 1.00 0.00 C ATOM 1383 C ARG A 83 -1.841 22.474 -10.506 1.00 0.00 C ATOM 1384 O ARG A 83 -1.358 21.365 -10.356 1.00 0.00 O ATOM 1385 CB ARG A 83 -0.840 24.173 -8.934 1.00 0.00 C ATOM 1386 CG ARG A 83 -0.638 25.419 -9.777 1.00 0.00 C ATOM 1387 CD ARG A 83 0.516 26.244 -9.229 1.00 0.00 C ATOM 1388 NE ARG A 83 0.642 27.538 -9.920 1.00 0.00 N ATOM 1389 CZ ARG A 83 1.535 28.478 -9.628 1.00 0.00 C ATOM 1390 NH1 ARG A 83 2.415 28.334 -8.667 1.00 0.00 N ATOM 1391 NH2 ARG A 83 1.537 29.589 -10.311 1.00 0.00 N ATOM 0 H ARG A 83 -1.766 22.520 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.887 24.069 -9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.902 24.464 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.037 23.534 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.435 25.138 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.550 26.015 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.366 26.415 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.445 25.684 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.007 27.728 -10.683 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.430 27.477 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.085 29.078 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.858 29.729 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.217 30.318 -10.097 1.00 0.00 H new ATOM 1405 N SER A 84 -2.168 22.985 -11.685 1.00 0.00 N ATOM 1406 CA SER A 84 -2.090 22.270 -12.971 1.00 0.00 C ATOM 1407 C SER A 84 -1.133 21.077 -13.153 1.00 0.00 C ATOM 1408 O SER A 84 -1.545 20.060 -13.694 1.00 0.00 O ATOM 1409 CB SER A 84 -1.779 23.300 -14.050 1.00 0.00 C ATOM 1410 OG SER A 84 -2.450 24.516 -13.755 1.00 0.00 O ATOM 0 H SER A 84 -2.508 23.941 -11.786 1.00 0.00 H new ATOM 0 HA SER A 84 -3.063 21.783 -13.030 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.704 23.470 -14.105 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.093 22.927 -15.025 1.00 0.00 H new ATOM 0 HG SER A 84 -2.248 25.178 -14.449 1.00 0.00 H new ATOM 1416 N ARG A 85 0.124 21.189 -12.727 1.00 0.00 N ATOM 1417 CA ARG A 85 1.088 20.086 -12.892 1.00 0.00 C ATOM 1418 C ARG A 85 0.609 18.825 -12.174 1.00 0.00 C ATOM 1419 O ARG A 85 0.751 17.733 -12.686 1.00 0.00 O ATOM 1420 CB ARG A 85 2.470 20.478 -12.339 1.00 0.00 C ATOM 1421 CG ARG A 85 3.569 19.429 -12.626 1.00 0.00 C ATOM 1422 CD ARG A 85 4.477 19.194 -11.417 1.00 0.00 C ATOM 1423 NE ARG A 85 5.576 20.170 -11.334 1.00 0.00 N ATOM 1424 CZ ARG A 85 6.468 20.229 -10.349 1.00 0.00 C ATOM 1425 NH1 ARG A 85 6.435 19.416 -9.320 1.00 0.00 N ATOM 1426 NH2 ARG A 85 7.416 21.125 -10.405 1.00 0.00 N ATOM 0 H ARG A 85 0.502 22.019 -12.270 1.00 0.00 H new ATOM 0 HA ARG A 85 1.167 19.884 -13.960 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.768 21.433 -12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.393 20.626 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.103 18.487 -12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.172 19.760 -13.472 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.882 19.245 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.893 18.188 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 85 5.660 20.852 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.706 18.705 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.138 19.494 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.465 21.767 -11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.108 21.183 -9.658 1.00 0.00 H new ATOM 1440 N GLN A 86 0.055 19.000 -10.986 1.00 0.00 N ATOM 1441 CA GLN A 86 -0.406 17.893 -10.154 1.00 0.00 C ATOM 1442 C GLN A 86 -1.870 18.132 -9.803 1.00 0.00 C ATOM 1443 O GLN A 86 -2.268 18.098 -8.647 1.00 0.00 O ATOM 1444 CB GLN A 86 0.469 17.772 -8.897 1.00 0.00 C ATOM 1445 CG GLN A 86 1.863 17.213 -9.195 1.00 0.00 C ATOM 1446 CD GLN A 86 2.852 17.444 -8.069 1.00 0.00 C ATOM 1447 OE1 GLN A 86 3.157 18.586 -7.727 1.00 0.00 O ATOM 1448 NE2 GLN A 86 3.367 16.383 -7.507 1.00 0.00 N ATOM 0 H GLN A 86 -0.090 19.918 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.321 16.950 -10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.568 18.753 -8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -0.029 17.126 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.785 16.143 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.245 17.674 -10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.087 15.453 -7.820 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.049 16.484 -6.755 1.00 0.00 H new ATOM 1457 N LYS A 87 -2.682 18.366 -10.829 1.00 0.00 N ATOM 1458 CA LYS A 87 -4.130 18.527 -10.636 1.00 0.00 C ATOM 1459 C LYS A 87 -4.702 17.182 -10.174 1.00 0.00 C ATOM 1460 O LYS A 87 -5.777 17.106 -9.619 1.00 0.00 O ATOM 1461 CB LYS A 87 -4.802 18.984 -11.943 1.00 0.00 C ATOM 1462 CG LYS A 87 -6.001 19.962 -11.771 1.00 0.00 C ATOM 1463 CD LYS A 87 -7.305 19.277 -11.302 1.00 0.00 C ATOM 1464 CE LYS A 87 -7.633 19.602 -9.831 1.00 0.00 C ATOM 1465 NZ LYS A 87 -8.230 18.413 -9.112 1.00 0.00 N ATOM 0 H LYS A 87 -2.371 18.449 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.324 19.291 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.050 19.464 -12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.149 18.102 -12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.728 20.733 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.187 20.464 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.131 19.598 -11.937 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.211 18.198 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.725 19.919 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.330 20.439 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.186 18.571 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.222 18.294 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.693 17.556 -9.354 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.950 16.125 -10.414 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.351 14.774 -10.054 1.00 0.00 C ATOM 1481 C TYR A 88 -3.856 14.369 -8.658 1.00 0.00 C ATOM 1482 O TYR A 88 -3.921 13.210 -8.310 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.765 13.805 -11.093 1.00 0.00 C ATOM 1484 CG TYR A 88 -2.243 13.853 -11.166 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.576 14.674 -12.102 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.460 13.072 -10.295 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.149 14.715 -12.146 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.045 13.118 -10.331 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.599 13.939 -11.249 1.00 0.00 C ATOM 1490 OH TYR A 88 1.972 13.982 -11.267 1.00 0.00 O ATOM 0 H TYR A 88 -3.038 16.177 -10.867 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.440 14.736 -10.038 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.079 12.790 -10.851 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.177 14.041 -12.074 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.150 15.276 -12.791 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.949 12.423 -9.583 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.353 15.342 -12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.533 12.516 -9.646 1.00 0.00 H new ATOM 0 HH TYR A 88 2.326 13.442 -10.530 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.339 15.303 -7.867 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.712 14.927 -6.597 1.00 0.00 C ATOM 1502 C ALA A 89 -3.612 14.126 -5.644 1.00 0.00 C ATOM 1503 O ALA A 89 -3.254 13.029 -5.261 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.179 16.175 -5.883 1.00 0.00 C ATOM 0 H ALA A 89 -3.338 16.302 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.897 14.255 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.715 15.885 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.440 16.668 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.003 16.861 -5.686 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.775 14.633 -5.266 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.612 13.891 -4.315 1.00 0.00 C ATOM 1512 C GLU A 90 -6.290 12.722 -5.028 1.00 0.00 C ATOM 1513 O GLU A 90 -6.758 11.766 -4.409 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.602 14.803 -3.596 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.632 14.538 -2.077 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.311 14.914 -1.374 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -4.945 16.108 -1.377 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.643 14.011 -0.808 1.00 0.00 O ATOM 0 H GLU A 90 -5.158 15.523 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.976 13.479 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.334 15.844 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.599 14.654 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.449 15.105 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.843 13.483 -1.902 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.302 12.787 -6.349 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.767 11.671 -7.165 1.00 0.00 C ATOM 1527 C GLU A 91 -5.803 10.494 -6.936 1.00 0.00 C ATOM 1528 O GLU A 91 -6.179 9.343 -7.079 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.809 12.072 -8.642 1.00 0.00 C ATOM 1530 CG GLU A 91 -8.095 11.687 -9.363 1.00 0.00 C ATOM 1531 CD GLU A 91 -8.111 10.232 -9.813 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -8.985 9.475 -9.354 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.253 9.852 -10.639 1.00 0.00 O ATOM 0 H GLU A 91 -5.995 13.601 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.779 11.382 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.674 13.151 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.966 11.609 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.943 11.867 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.225 12.332 -10.232 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.561 10.761 -6.540 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.651 9.657 -6.230 1.00 0.00 C ATOM 1542 C GLU A 92 -4.078 8.979 -4.926 1.00 0.00 C ATOM 1543 O GLU A 92 -3.784 7.814 -4.701 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.189 10.107 -6.142 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.589 10.605 -7.467 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.460 9.522 -8.566 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.899 8.364 -8.375 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -0.895 9.842 -9.630 1.00 0.00 O ATOM 0 H GLU A 92 -4.170 11.696 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.714 8.944 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.112 10.904 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.588 9.274 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.208 11.418 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.602 11.022 -7.269 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.798 9.692 -4.072 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.317 9.099 -2.838 1.00 0.00 C ATOM 1557 C LEU A 93 -6.543 8.247 -3.199 1.00 0.00 C ATOM 1558 O LEU A 93 -6.833 7.231 -2.545 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.677 10.190 -1.820 1.00 0.00 C ATOM 1560 CG LEU A 93 -6.040 9.721 -0.400 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.866 9.043 0.311 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.506 10.925 0.413 1.00 0.00 C ATOM 0 H LEU A 93 -5.037 10.675 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.557 8.470 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.834 10.877 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.518 10.759 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.834 8.979 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.176 8.731 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.550 8.170 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.035 9.744 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.766 10.604 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.705 11.663 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.380 11.369 -0.063 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.252 8.633 -4.254 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.354 7.796 -4.762 1.00 0.00 C ATOM 1576 C GLU A 94 -7.700 6.511 -5.290 1.00 0.00 C ATOM 1577 O GLU A 94 -8.194 5.408 -5.080 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.152 8.487 -5.885 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.826 9.822 -5.499 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.941 9.673 -4.462 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.246 10.679 -3.767 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.508 8.568 -4.317 1.00 0.00 O ATOM 0 H GLU A 94 -7.096 9.499 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.072 7.600 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.481 8.669 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.922 7.800 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.068 10.502 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.237 10.284 -6.397 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.559 6.663 -5.948 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.786 5.521 -6.441 1.00 0.00 C ATOM 1591 C GLN A 95 -5.260 4.647 -5.291 1.00 0.00 C ATOM 1592 O GLN A 95 -5.182 3.434 -5.432 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.621 6.017 -7.299 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.683 5.595 -8.765 1.00 0.00 C ATOM 1595 CD GLN A 95 -5.932 6.079 -9.491 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -6.609 5.294 -10.139 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -6.228 7.348 -9.398 1.00 0.00 N ATOM 0 H GLN A 95 -6.142 7.570 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.450 4.903 -7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.589 7.105 -7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.689 5.651 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.803 5.978 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.639 4.507 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.637 7.970 -8.847 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.050 7.716 -9.876 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.917 5.242 -4.151 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.526 4.463 -2.958 1.00 0.00 C ATOM 1608 C VAL A 96 -5.729 3.629 -2.529 1.00 0.00 C ATOM 1609 O VAL A 96 -5.605 2.443 -2.196 1.00 0.00 O ATOM 1610 CB VAL A 96 -4.087 5.391 -1.764 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -4.070 4.637 -0.418 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.711 5.977 -2.027 1.00 0.00 C ATOM 0 H VAL A 96 -4.899 6.253 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.673 3.835 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.825 6.191 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.761 5.317 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.068 4.256 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.369 3.805 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.422 6.616 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.986 5.170 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.736 6.566 -2.944 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.909 4.232 -2.548 1.00 0.00 N ATOM 1623 CA ARG A 97 -8.115 3.495 -2.176 1.00 0.00 C ATOM 1624 C ARG A 97 -8.377 2.344 -3.147 1.00 0.00 C ATOM 1625 O ARG A 97 -8.826 1.289 -2.721 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.308 4.439 -2.068 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.385 5.094 -0.694 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.264 6.325 -0.702 1.00 0.00 C ATOM 1629 NE ARG A 97 -9.527 7.497 -1.198 1.00 0.00 N ATOM 1630 CZ ARG A 97 -10.063 8.682 -1.462 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -11.340 8.919 -1.320 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -9.301 9.643 -1.887 1.00 0.00 N ATOM 0 H ARG A 97 -7.060 5.206 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.961 3.051 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.233 5.210 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -10.228 3.887 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.773 4.376 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.382 5.367 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.137 6.148 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.630 6.521 0.306 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.524 7.391 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.963 8.179 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.714 9.844 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.302 9.483 -2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.701 10.558 -2.093 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.077 2.511 -4.426 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.203 1.396 -5.374 1.00 0.00 C ATOM 1648 C GLU A 98 -7.087 0.363 -5.145 1.00 0.00 C ATOM 1649 O GLU A 98 -7.312 -0.827 -5.300 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.208 1.885 -6.826 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.357 0.752 -7.878 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.577 -0.164 -7.640 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.633 0.323 -7.182 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -9.468 -1.382 -7.929 1.00 0.00 O ATOM 0 H GLU A 98 -7.750 3.387 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.163 0.913 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.024 2.596 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.281 2.425 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.437 1.198 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.452 0.144 -7.874 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.896 0.796 -4.751 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.819 -0.144 -4.413 1.00 0.00 C ATOM 1663 C ALA A 99 -5.336 -1.024 -3.263 1.00 0.00 C ATOM 1664 O ALA A 99 -5.225 -2.256 -3.291 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.539 0.606 -4.009 1.00 0.00 C ATOM 0 H ALA A 99 -5.647 1.780 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.557 -0.757 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.758 -0.113 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.208 1.233 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.743 1.231 -3.139 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.928 -0.386 -2.262 1.00 0.00 N ATOM 1672 CA LEU A 100 -6.501 -1.121 -1.133 1.00 0.00 C ATOM 1673 C LEU A 100 -7.652 -2.026 -1.588 1.00 0.00 C ATOM 1674 O LEU A 100 -7.776 -3.158 -1.122 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.990 -0.143 -0.061 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.876 0.621 0.676 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -6.487 1.781 1.456 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -5.104 -0.300 1.625 1.00 0.00 C ATOM 0 H LEU A 100 -6.026 0.628 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.721 -1.754 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.659 0.580 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.578 -0.695 0.672 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.173 1.004 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.699 2.323 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.996 2.455 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.204 1.395 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.324 0.270 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.788 -0.715 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.650 -1.111 1.056 1.00 0.00 H new ATOM 1690 N ARG A 101 -8.485 -1.552 -2.506 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.579 -2.375 -3.033 1.00 0.00 C ATOM 1692 C ARG A 101 -9.025 -3.568 -3.804 1.00 0.00 C ATOM 1693 O ARG A 101 -9.589 -4.648 -3.739 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.524 -1.544 -3.920 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.655 -2.355 -4.594 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.562 -3.105 -3.594 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.239 -4.234 -4.259 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.710 -5.319 -3.649 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.653 -5.494 -2.362 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -14.244 -6.267 -4.361 1.00 0.00 N ATOM 0 H ARG A 101 -8.430 -0.613 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 101 -10.158 -2.747 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.971 -0.757 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.935 -1.053 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.268 -1.680 -5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.213 -3.076 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.967 -3.472 -2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.303 -2.420 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.356 -4.179 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.232 -4.780 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.030 -6.346 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.298 -6.174 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.609 -7.104 -3.905 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.919 -3.403 -4.515 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.288 -4.533 -5.206 1.00 0.00 C ATOM 1716 C LYS A 102 -6.880 -5.547 -4.151 1.00 0.00 C ATOM 1717 O LYS A 102 -7.124 -6.731 -4.320 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.067 -4.070 -6.027 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.468 -5.112 -7.025 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.762 -6.309 -6.344 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.583 -6.830 -7.169 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.864 -7.960 -6.468 1.00 0.00 N ATOM 0 H LYS A 102 -7.439 -2.510 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.989 -4.981 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.351 -3.181 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.282 -3.771 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.268 -5.490 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.755 -4.606 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.408 -6.007 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.481 -7.114 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.942 -7.174 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.883 -6.016 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.890 -8.028 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.844 -7.776 -5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.363 -8.854 -6.649 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.274 -5.090 -3.063 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.863 -6.004 -1.996 1.00 0.00 C ATOM 1738 C ALA A 103 -7.090 -6.716 -1.397 1.00 0.00 C ATOM 1739 O ALA A 103 -7.070 -7.924 -1.166 1.00 0.00 O ATOM 1740 CB ALA A 103 -5.094 -5.233 -0.908 1.00 0.00 C ATOM 0 H ALA A 103 -6.057 -4.108 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.202 -6.762 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.792 -5.921 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.208 -4.772 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.736 -4.459 -0.488 1.00 0.00 H new ATOM 1746 N GLU A 104 -8.155 -5.967 -1.161 1.00 0.00 N ATOM 1747 CA GLU A 104 -9.395 -6.530 -0.621 1.00 0.00 C ATOM 1748 C GLU A 104 -10.017 -7.554 -1.588 1.00 0.00 C ATOM 1749 O GLU A 104 -10.475 -8.613 -1.187 1.00 0.00 O ATOM 1750 CB GLU A 104 -10.376 -5.387 -0.352 1.00 0.00 C ATOM 1751 CG GLU A 104 -11.599 -5.775 0.452 1.00 0.00 C ATOM 1752 CD GLU A 104 -12.496 -4.572 0.712 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -12.910 -4.366 1.869 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -12.780 -3.824 -0.256 1.00 0.00 O ATOM 0 H GLU A 104 -8.191 -4.962 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.170 -7.057 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.849 -4.592 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.702 -4.975 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.160 -6.541 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.289 -6.212 1.401 1.00 0.00 H new ATOM 1761 N LYS A 105 -10.011 -7.239 -2.873 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.542 -8.141 -3.898 1.00 0.00 C ATOM 1763 C LYS A 105 -9.663 -9.380 -4.020 1.00 0.00 C ATOM 1764 O LYS A 105 -10.134 -10.475 -4.305 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.608 -7.399 -5.231 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.373 -8.132 -6.308 1.00 0.00 C ATOM 1767 CD LYS A 105 -11.436 -7.288 -7.562 1.00 0.00 C ATOM 1768 CE LYS A 105 -12.265 -7.974 -8.632 1.00 0.00 C ATOM 1769 NZ LYS A 105 -12.316 -7.135 -9.877 1.00 0.00 N ATOM 0 H LYS A 105 -9.643 -6.361 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.544 -8.464 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.071 -6.425 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.593 -7.215 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.890 -9.085 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.381 -8.358 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.868 -6.315 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -10.428 -7.108 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.837 -8.950 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.275 -8.148 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.887 -7.619 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.745 -6.213 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.351 -6.991 -10.238 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.374 -9.206 -3.791 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.451 -10.328 -3.811 1.00 0.00 C ATOM 1785 C GLU A 106 -7.725 -11.200 -2.592 1.00 0.00 C ATOM 1786 O GLU A 106 -7.650 -12.414 -2.674 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.004 -9.837 -3.823 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.995 -10.936 -4.044 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.792 -10.433 -4.804 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.816 -9.978 -4.175 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.820 -10.478 -6.057 1.00 0.00 O ATOM 0 H GLU A 106 -7.943 -8.304 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.599 -10.914 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.890 -9.088 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.789 -9.343 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.677 -11.339 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.460 -11.754 -4.595 1.00 0.00 H new ATOM 1798 N LEU A 107 -8.067 -10.575 -1.472 1.00 0.00 N ATOM 1799 CA LEU A 107 -8.431 -11.312 -0.259 1.00 0.00 C ATOM 1800 C LEU A 107 -9.689 -12.141 -0.547 1.00 0.00 C ATOM 1801 O LEU A 107 -9.770 -13.307 -0.159 1.00 0.00 O ATOM 1802 CB LEU A 107 -8.653 -10.326 0.903 1.00 0.00 C ATOM 1803 CG LEU A 107 -8.823 -10.849 2.342 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -8.630 -9.660 3.294 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -10.192 -11.481 2.615 1.00 0.00 C ATOM 0 H LEU A 107 -8.101 -9.560 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.628 -11.988 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.809 -9.637 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.541 -9.741 0.665 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.085 -11.637 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.744 -9.997 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.632 -9.242 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.376 -8.896 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.234 -11.825 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.974 -10.741 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.342 -12.327 1.945 1.00 0.00 H new ATOM 1817 N GLU A 108 -10.657 -11.554 -1.243 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.882 -12.279 -1.613 1.00 0.00 C ATOM 1819 C GLU A 108 -11.508 -13.530 -2.417 1.00 0.00 C ATOM 1820 O GLU A 108 -11.961 -14.640 -2.107 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.814 -11.396 -2.465 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.450 -10.216 -1.723 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.076 -9.179 -2.672 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -13.986 -9.330 -3.913 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.658 -8.191 -2.171 1.00 0.00 O ATOM 0 H GLU A 108 -10.625 -10.586 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.405 -12.556 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.248 -11.009 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.609 -12.021 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.217 -10.590 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.693 -9.729 -1.109 1.00 0.00 H new ATOM 1832 N SER A 109 -10.672 -13.353 -3.435 1.00 0.00 N ATOM 1833 CA SER A 109 -10.248 -14.453 -4.309 1.00 0.00 C ATOM 1834 C SER A 109 -9.417 -15.500 -3.559 1.00 0.00 C ATOM 1835 O SER A 109 -9.431 -16.692 -3.886 1.00 0.00 O ATOM 1836 CB SER A 109 -9.450 -13.888 -5.483 1.00 0.00 C ATOM 1837 OG SER A 109 -8.242 -13.287 -5.045 1.00 0.00 O ATOM 0 H SER A 109 -10.268 -12.449 -3.681 1.00 0.00 H new ATOM 0 HA SER A 109 -11.143 -14.957 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.226 -14.686 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.053 -13.152 -6.014 1.00 0.00 H new ATOM 0 HG SER A 109 -8.304 -13.089 -4.087 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.717 -15.050 -2.531 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.894 -15.911 -1.687 1.00 0.00 C ATOM 1845 C HIS A 110 -8.772 -16.677 -0.705 1.00 0.00 C ATOM 1846 O HIS A 110 -8.304 -17.596 -0.042 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.950 -15.046 -0.843 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.675 -14.659 -1.526 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.382 -14.891 -2.847 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.575 -14.030 -1.028 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.162 -14.433 -3.085 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -3.623 -13.887 -2.015 1.00 0.00 N ATOM 0 H HIS A 110 -8.702 -14.069 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.344 -16.594 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.477 -14.139 -0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.706 -15.585 0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.997 -15.338 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.464 -13.692 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.668 -14.500 -4.043 1.00 0.00 H new ATOM 1860 N SER A 111 -10.036 -16.289 -0.609 1.00 0.00 N ATOM 1861 CA SER A 111 -10.975 -16.904 0.329 1.00 0.00 C ATOM 1862 C SER A 111 -12.275 -17.369 -0.324 1.00 0.00 C ATOM 1863 O SER A 111 -13.240 -17.692 0.359 1.00 0.00 O ATOM 1864 CB SER A 111 -11.342 -15.854 1.365 1.00 0.00 C ATOM 1865 OG SER A 111 -11.887 -14.725 0.690 1.00 0.00 O ATOM 0 H SER A 111 -10.442 -15.543 -1.174 1.00 0.00 H new ATOM 0 HA SER A 111 -10.485 -17.782 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.065 -16.257 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.462 -15.564 1.939 1.00 0.00 H new ATOM 0 HG SER A 111 -11.167 -14.231 0.245 1.00 0.00 H new ATOM 1871 N SER A 112 -12.308 -17.398 -1.649 1.00 0.00 N ATOM 1872 CA SER A 112 -13.521 -17.792 -2.381 1.00 0.00 C ATOM 1873 C SER A 112 -13.925 -19.265 -2.205 1.00 0.00 C ATOM 1874 O SER A 112 -14.982 -19.679 -2.681 1.00 0.00 O ATOM 1875 CB SER A 112 -13.333 -17.498 -3.864 1.00 0.00 C ATOM 1876 OG SER A 112 -13.108 -16.114 -4.069 1.00 0.00 O ATOM 0 H SER A 112 -11.516 -17.156 -2.244 1.00 0.00 H new ATOM 0 HA SER A 112 -14.333 -17.203 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.490 -18.071 -4.251 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.216 -17.815 -4.419 1.00 0.00 H new ATOM 0 HG SER A 112 -12.648 -15.738 -3.289 1.00 0.00 H new ATOM 1882 N TRP A 113 -13.099 -20.045 -1.522 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.394 -21.444 -1.227 1.00 0.00 C ATOM 1884 C TRP A 113 -12.594 -21.820 0.021 1.00 0.00 C ATOM 1885 O TRP A 113 -11.929 -20.966 0.598 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.058 -22.358 -2.415 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.790 -23.676 -2.329 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.254 -24.901 -2.106 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -15.213 -23.898 -2.426 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -14.209 -25.869 -2.049 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -15.434 -25.296 -2.241 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -16.326 -23.058 -2.634 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -16.723 -25.867 -2.259 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -17.628 -23.629 -2.653 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -17.807 -25.032 -2.465 1.00 0.00 C ATOM 0 H TRP A 113 -12.202 -19.726 -1.155 1.00 0.00 H new ATOM 0 HA TRP A 113 -14.461 -21.577 -1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -13.320 -21.856 -3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.984 -22.539 -2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.197 -25.086 -1.988 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -14.038 -26.862 -1.889 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -16.192 -21.996 -2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -16.861 -26.929 -2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -18.488 -22.996 -2.811 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -18.803 -25.448 -2.484 1.00 0.00 H new ATOM 1906 N TYR A 114 -12.675 -23.075 0.429 1.00 0.00 N ATOM 1907 CA TYR A 114 -12.056 -23.568 1.655 1.00 0.00 C ATOM 1908 C TYR A 114 -11.392 -24.918 1.369 1.00 0.00 C ATOM 1909 O TYR A 114 -11.600 -25.493 0.301 1.00 0.00 O ATOM 1910 CB TYR A 114 -13.143 -23.713 2.728 1.00 0.00 C ATOM 1911 CG TYR A 114 -14.346 -24.511 2.253 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -15.455 -23.872 1.652 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -14.379 -25.911 2.388 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -16.568 -24.627 1.187 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -15.485 -26.666 1.926 1.00 0.00 C ATOM 1916 CZ TYR A 114 -16.566 -26.017 1.326 1.00 0.00 C ATOM 1917 OH TYR A 114 -17.633 -26.757 0.882 1.00 0.00 O ATOM 0 H TYR A 114 -13.180 -23.794 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 114 -11.295 -22.874 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -12.716 -24.198 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -13.472 -22.722 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -15.457 -22.797 1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -13.547 -26.419 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -17.409 -24.128 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -15.492 -27.740 2.037 1.00 0.00 H new ATOM 0 HH TYR A 114 -17.676 -26.715 -0.096 1.00 0.00 H new ATOM 1927 N ALA A 115 -10.596 -25.403 2.317 1.00 0.00 N ATOM 1928 CA ALA A 115 -9.865 -26.669 2.171 1.00 0.00 C ATOM 1929 C ALA A 115 -10.777 -27.892 1.976 1.00 0.00 C ATOM 1930 O ALA A 115 -11.816 -27.976 2.661 1.00 0.00 O ATOM 1931 CB ALA A 115 -8.987 -26.879 3.407 1.00 0.00 C ATOM 1932 OXT ALA A 115 -10.413 -28.759 1.153 1.00 0.00 O ATOM 0 H ALA A 115 -10.436 -24.935 3.209 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.265 -26.587 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.439 -27.816 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.281 -26.054 3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.615 -26.917 4.297 1.00 0.00 H new TER 1938 ALA A 115