USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 13 ASN : amide:sc= 1.37 K(o=3.5,f=-6.4!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 162:sc= 1.91 (180deg=0.921) USER MOD Set 1.3: A 67 ASN : amide:sc= 0.259 K(o=3.5,f=-7.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -98:sc= 1.22 USER MOD Single : A 11 ASN : amide:sc= -0.152 K(o=-0.15,f=-9.5!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 15 MET CE :methyl -126:sc= -0.352 (180deg=-1.44) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.34 USER MOD Single : A 27 THR OG1 : rot -29:sc= 0.0176 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0886 USER MOD Single : A 31 TYR OH : rot 110:sc= 1.18 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.428 K(o=-0.43,f=-5.5!) USER MOD Single : A 43 ASN : amide:sc= 0.93 K(o=0.93,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -43:sc= 0.714 USER MOD Single : A 56 HIS : no HE2:sc= 0.373 K(o=0.37,f=-2!) USER MOD Single : A 58 MET CE :methyl -165:sc= -0.0281 (180deg=-0.317) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00741 X(o=-0.0074,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.313 3.761 4.147 1.00 50.00 N ATOM 21 CA LYS A 2 -10.036 5.162 4.443 1.00 50.00 C ATOM 22 C LYS A 2 -8.922 5.297 5.476 1.00 50.00 C ATOM 23 O LYS A 2 -8.876 4.551 6.454 1.00 50.00 O ATOM 24 CB LYS A 2 -11.301 5.864 4.941 1.00 50.00 C ATOM 25 CG LYS A 2 -11.154 7.368 5.126 1.00 50.00 C ATOM 26 CD LYS A 2 -12.496 8.024 5.413 1.00 50.00 C ATOM 27 CE LYS A 2 -12.355 9.531 5.570 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.676 10.203 5.701 1.00 75.00 N ATOM 0 HA LYS A 2 -9.706 5.639 3.520 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.109 5.674 4.235 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.598 5.421 5.891 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.465 7.570 5.946 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.717 7.806 4.228 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.191 7.805 4.602 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.923 7.600 6.322 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.748 9.749 6.449 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.825 9.937 4.708 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.535 11.228 5.806 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.246 10.017 4.851 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -14.172 9.834 6.538 1.00 75.00 H new ATOM 42 N ILE A 3 -8.028 6.252 5.251 1.00 50.00 N ATOM 43 CA ILE A 3 -6.832 6.391 6.073 1.00 50.00 C ATOM 44 C ILE A 3 -7.187 6.807 7.494 1.00 50.00 C ATOM 45 O ILE A 3 -7.966 7.736 7.703 1.00 50.00 O ATOM 46 CB ILE A 3 -5.851 7.417 5.478 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.316 6.925 4.130 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.707 7.683 6.443 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.382 5.742 4.240 1.00 50.00 C ATOM 0 H ILE A 3 -8.109 6.943 4.505 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.350 5.413 6.093 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.386 8.353 5.315 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -6.158 6.654 3.493 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.793 7.744 3.636 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -4.024 8.411 6.005 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -5.104 8.076 7.379 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.172 6.754 6.638 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.045 5.451 3.245 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.521 6.014 4.850 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -4.906 4.907 4.704 1.00 50.00 H new ATOM 61 N ILE A 4 -6.608 6.114 8.470 1.00 10.00 N ATOM 62 CA ILE A 4 -6.590 6.597 9.846 1.00 10.00 C ATOM 63 C ILE A 4 -5.214 7.127 10.226 1.00 10.00 C ATOM 64 O ILE A 4 -5.089 8.223 10.773 1.00 50.00 O ATOM 65 CB ILE A 4 -6.996 5.491 10.837 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.444 5.061 10.593 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.815 5.968 12.270 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.893 3.905 11.458 1.00 50.00 C ATOM 0 H ILE A 4 -6.145 5.216 8.333 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.316 7.408 9.904 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.349 4.629 10.677 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -9.101 5.912 10.772 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.559 4.784 9.545 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.107 5.174 12.957 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.770 6.228 12.438 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.439 6.845 12.443 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.929 3.659 11.227 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.262 3.038 11.263 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.812 4.184 12.509 1.00 50.00 H new ATOM 80 N SER A 5 -4.182 6.342 9.933 1.00 10.00 N ATOM 81 CA SER A 5 -2.812 6.731 10.247 1.00 10.00 C ATOM 82 C SER A 5 -1.809 5.884 9.473 1.00 10.00 C ATOM 83 O SER A 5 -1.946 4.663 9.391 1.00 50.00 O ATOM 84 CB SER A 5 -2.563 6.615 11.737 1.00 50.00 C ATOM 85 OG SER A 5 -1.238 6.917 12.074 1.00 50.00 O ATOM 0 H SER A 5 -4.269 5.433 9.479 1.00 10.00 H new ATOM 0 HA SER A 5 -2.677 7.770 9.946 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.235 7.288 12.270 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.799 5.603 12.066 1.00 50.00 H new ATOM 0 HG SER A 5 -1.119 6.832 13.043 1.00 50.00 H new ATOM 91 N ILE A 6 -0.802 6.538 8.905 1.00 10.00 N ATOM 92 CA ILE A 6 0.286 5.837 8.234 1.00 10.00 C ATOM 93 C ILE A 6 1.593 5.984 9.001 1.00 10.00 C ATOM 94 O ILE A 6 1.960 7.083 9.417 1.00 50.00 O ATOM 95 CB ILE A 6 0.485 6.350 6.796 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.787 6.137 5.972 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.670 5.655 6.143 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.741 6.775 4.602 1.00 50.00 C ATOM 0 H ILE A 6 -0.717 7.554 8.896 1.00 10.00 H new ATOM 0 HA ILE A 6 0.007 4.784 8.199 1.00 10.00 H new ATOM 0 HB ILE A 6 0.694 7.419 6.835 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.960 5.067 5.858 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.637 6.541 6.522 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.797 6.029 5.127 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.573 5.857 6.719 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.491 4.580 6.114 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.677 6.581 4.079 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.600 7.851 4.706 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.087 6.354 4.032 1.00 50.00 H new ATOM 110 N SER A 7 2.292 4.870 9.187 1.00 10.00 N ATOM 111 CA SER A 7 3.532 4.862 9.955 1.00 10.00 C ATOM 112 C SER A 7 4.624 4.089 9.230 1.00 10.00 C ATOM 113 O SER A 7 4.348 3.332 8.298 1.00 50.00 O ATOM 114 CB SER A 7 3.289 4.271 11.330 1.00 50.00 C ATOM 115 OG SER A 7 2.915 2.922 11.265 1.00 50.00 O ATOM 0 H SER A 7 2.021 3.959 8.816 1.00 10.00 H new ATOM 0 HA SER A 7 3.870 5.892 10.066 1.00 10.00 H new ATOM 0 HB2 SER A 7 4.193 4.368 11.931 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.508 4.839 11.836 1.00 50.00 H new ATOM 0 HG SER A 7 2.770 2.579 12.171 1.00 50.00 H new ATOM 121 N GLU A 8 5.866 4.282 9.663 1.00 10.00 N ATOM 122 CA GLU A 8 7.004 3.609 9.049 1.00 50.00 C ATOM 123 C GLU A 8 7.313 2.295 9.754 1.00 10.00 C ATOM 124 O GLU A 8 6.787 2.019 10.833 1.00 50.00 O ATOM 125 CB GLU A 8 8.236 4.518 9.065 1.00 50.00 C ATOM 126 CG GLU A 8 8.096 5.782 8.231 1.00 50.00 C ATOM 127 CD GLU A 8 9.322 6.645 8.336 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.183 6.327 9.122 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.451 7.558 7.557 1.00 50.00 O ATOM 0 H GLU A 8 6.109 4.900 10.437 1.00 10.00 H new ATOM 0 HA GLU A 8 6.742 3.386 8.015 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.451 4.800 10.096 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.095 3.952 8.703 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.925 5.515 7.188 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.223 6.344 8.563 1.00 50.00 H new ATOM 136 N THR A 9 8.169 1.485 9.140 1.00 50.00 N ATOM 137 CA THR A 9 8.559 0.203 9.714 1.00 10.00 C ATOM 138 C THR A 9 10.074 0.064 9.769 1.00 10.00 C ATOM 139 O THR A 9 10.805 0.863 9.183 1.00 50.00 O ATOM 140 CB THR A 9 7.973 -0.974 8.915 1.00 50.00 C ATOM 141 OG1 THR A 9 8.665 -1.098 7.665 1.00 50.00 O ATOM 142 CG2 THR A 9 6.491 -0.756 8.651 1.00 50.00 C ATOM 0 H THR A 9 8.607 1.695 8.243 1.00 50.00 H new ATOM 0 HA THR A 9 8.158 0.176 10.727 1.00 10.00 H new ATOM 0 HB THR A 9 8.096 -1.886 9.499 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.147 -0.657 6.959 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.094 -1.599 8.085 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.961 -0.674 9.600 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.354 0.162 8.079 1.00 50.00 H new ATOM 150 N PRO A 10 10.543 -0.959 10.477 1.00 50.00 N ATOM 151 CA PRO A 10 11.973 -1.214 10.599 1.00 50.00 C ATOM 152 C PRO A 10 12.636 -1.308 9.230 1.00 50.00 C ATOM 153 O PRO A 10 13.815 -0.991 9.078 1.00 50.00 O ATOM 154 CB PRO A 10 12.053 -2.535 11.370 1.00 50.00 C ATOM 155 CG PRO A 10 10.800 -2.571 12.177 1.00 50.00 C ATOM 156 CD PRO A 10 9.749 -1.933 11.308 1.00 50.00 C ATOM 0 HA PRO A 10 12.502 -0.411 11.112 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.114 -3.387 10.693 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.937 -2.570 12.007 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.528 -3.594 12.436 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.920 -2.026 13.114 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.237 -2.669 10.688 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.986 -1.429 11.901 1.00 50.00 H new ATOM 164 N ASN A 11 11.869 -1.745 8.237 1.00 50.00 N ATOM 165 CA ASN A 11 12.321 -1.719 6.852 1.00 50.00 C ATOM 166 C ASN A 11 11.875 -0.441 6.153 1.00 50.00 C ATOM 167 O ASN A 11 10.687 -0.239 5.907 1.00 50.00 O ATOM 168 CB ASN A 11 11.833 -2.934 6.085 1.00 50.00 C ATOM 169 CG ASN A 11 12.364 -3.016 4.681 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.846 -2.027 4.118 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.203 -4.170 4.082 1.00 50.00 N ATOM 0 H ASN A 11 10.930 -2.122 8.367 1.00 50.00 H new ATOM 0 HA ASN A 11 13.411 -1.743 6.868 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.122 -3.835 6.627 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.744 -2.918 6.052 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.481 -4.282 3.107 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.800 -4.957 4.591 1.00 50.00 H new ATOM 178 N HIS A 12 12.837 0.417 5.831 1.00 50.00 N ATOM 179 CA HIS A 12 12.539 1.715 5.240 1.00 50.00 C ATOM 180 C HIS A 12 11.626 1.572 4.028 1.00 50.00 C ATOM 181 O HIS A 12 10.743 2.400 3.802 1.00 50.00 O ATOM 182 CB HIS A 12 13.829 2.439 4.840 1.00 50.00 C ATOM 183 CG HIS A 12 13.599 3.771 4.198 1.00 50.00 C ATOM 184 ND1 HIS A 12 13.214 4.886 4.915 1.00 75.00 N ATOM 185 CD2 HIS A 12 13.696 4.169 2.909 1.00 50.00 C ATOM 186 CE1 HIS A 12 13.087 5.912 4.092 1.00 75.00 C ATOM 187 NE2 HIS A 12 13.373 5.503 2.870 1.00 75.00 N ATOM 0 H HIS A 12 13.831 0.236 5.970 1.00 50.00 H new ATOM 0 HA HIS A 12 12.021 2.308 5.994 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.448 2.575 5.727 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.391 1.807 4.153 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.975 3.553 2.067 1.00 50.00 H new ATOM 0 HE1 HIS A 12 12.798 6.914 4.372 1.00 75.00 H new ATOM 0 HE2 HIS A 12 13.357 6.084 2.032 1.00 75.00 H new ATOM 195 N ASN A 13 11.844 0.517 3.252 1.00 10.00 N ATOM 196 CA ASN A 13 11.172 0.358 1.967 1.00 10.00 C ATOM 197 C ASN A 13 9.709 -0.022 2.155 1.00 10.00 C ATOM 198 O ASN A 13 8.924 0.003 1.206 1.00 50.00 O ATOM 199 CB ASN A 13 11.873 -0.667 1.097 1.00 50.00 C ATOM 200 CG ASN A 13 13.118 -0.149 0.432 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.279 1.059 0.229 1.00 50.00 O ATOM 202 ND2 ASN A 13 13.961 -1.060 0.023 1.00 50.00 N ATOM 0 H ASN A 13 12.482 -0.242 3.490 1.00 10.00 H new ATOM 0 HA ASN A 13 11.216 1.321 1.459 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.132 -1.532 1.708 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.180 -1.014 0.330 1.00 50.00 H new ATOM 0 HD21 ASN A 13 14.799 -0.786 -0.490 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.781 -2.045 0.217 1.00 50.00 H new ATOM 209 N THR A 14 9.346 -0.373 3.384 1.00 10.00 N ATOM 210 CA THR A 14 7.988 -0.807 3.688 1.00 10.00 C ATOM 211 C THR A 14 7.341 0.096 4.729 1.00 10.00 C ATOM 212 O THR A 14 7.980 0.491 5.704 1.00 50.00 O ATOM 213 CB THR A 14 7.960 -2.260 4.196 1.00 50.00 C ATOM 214 OG1 THR A 14 8.531 -3.126 3.207 1.00 50.00 O ATOM 215 CG2 THR A 14 6.530 -2.697 4.482 1.00 50.00 C ATOM 0 H THR A 14 9.975 -0.365 4.187 1.00 10.00 H new ATOM 0 HA THR A 14 7.424 -0.746 2.758 1.00 10.00 H new ATOM 0 HB THR A 14 8.539 -2.318 5.118 1.00 50.00 H new ATOM 0 HG1 THR A 14 8.514 -4.050 3.532 1.00 50.00 H new ATOM 0 HG21 THR A 14 6.529 -3.726 4.840 1.00 50.00 H new ATOM 0 HG22 THR A 14 6.096 -2.048 5.243 1.00 50.00 H new ATOM 0 HG23 THR A 14 5.939 -2.630 3.568 1.00 50.00 H new ATOM 223 N MET A 15 6.071 0.423 4.515 1.00 10.00 N ATOM 224 CA MET A 15 5.325 1.254 5.452 1.00 10.00 C ATOM 225 C MET A 15 3.989 0.617 5.810 1.00 10.00 C ATOM 226 O MET A 15 3.443 -0.177 5.043 1.00 50.00 O ATOM 227 CB MET A 15 5.105 2.646 4.863 1.00 50.00 C ATOM 228 CG MET A 15 6.374 3.473 4.712 1.00 50.00 C ATOM 229 SD MET A 15 6.050 5.140 4.102 1.00 50.00 S ATOM 230 CE MET A 15 5.206 5.857 5.510 1.00 50.00 C ATOM 0 H MET A 15 5.536 0.124 3.699 1.00 10.00 H new ATOM 0 HA MET A 15 5.912 1.343 6.366 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.634 2.543 3.885 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.405 3.189 5.498 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.879 3.535 5.676 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.054 2.966 4.028 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.250 6.270 5.189 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.035 5.087 6.262 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.819 6.651 5.936 1.00 50.00 H new ATOM 240 N LYS A 16 3.465 0.969 6.980 1.00 10.00 N ATOM 241 CA LYS A 16 2.241 0.362 7.484 1.00 10.00 C ATOM 242 C LYS A 16 1.078 1.345 7.434 1.00 10.00 C ATOM 243 O LYS A 16 1.198 2.486 7.884 1.00 50.00 O ATOM 244 CB LYS A 16 2.440 -0.142 8.915 1.00 50.00 C ATOM 245 CG LYS A 16 1.210 -0.790 9.531 1.00 50.00 C ATOM 246 CD LYS A 16 1.451 -1.163 10.987 1.00 50.00 C ATOM 247 CE LYS A 16 0.199 -1.749 11.624 1.00 50.00 C ATOM 248 NZ LYS A 16 0.422 -2.121 13.048 1.00 50.00 N ATOM 0 H LYS A 16 3.871 1.673 7.597 1.00 10.00 H new ATOM 0 HA LYS A 16 2.001 -0.485 6.841 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.257 -0.863 8.923 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.747 0.695 9.542 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.364 -0.106 9.464 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.944 -1.682 8.964 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.265 -1.885 11.049 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.765 -0.280 11.543 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.613 -1.025 11.561 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.115 -2.630 11.064 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.454 -2.516 13.445 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.180 -2.831 13.107 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.697 -1.276 13.589 1.00 50.00 H new ATOM 262 N ILE A 17 -0.045 0.898 6.887 1.00 10.00 N ATOM 263 CA ILE A 17 -1.207 1.761 6.707 1.00 10.00 C ATOM 264 C ILE A 17 -2.387 1.276 7.538 1.00 10.00 C ATOM 265 O ILE A 17 -2.913 0.187 7.312 1.00 50.00 O ATOM 266 CB ILE A 17 -1.630 1.839 5.228 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.473 2.353 4.369 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.852 2.730 5.071 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.708 2.210 2.882 1.00 50.00 C ATOM 0 H ILE A 17 -0.177 -0.059 6.559 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.914 2.756 7.044 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.891 0.837 4.888 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.299 3.404 4.601 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.435 1.813 4.638 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.137 2.774 4.020 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.677 2.322 5.654 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.618 3.734 5.426 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.155 2.596 2.339 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.851 1.158 2.636 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.597 2.773 2.598 1.00 50.00 H new ATOM 281 N THR A 18 -2.799 2.091 8.505 1.00 10.00 N ATOM 282 CA THR A 18 -3.972 1.788 9.314 1.00 10.00 C ATOM 283 C THR A 18 -5.237 2.364 8.689 1.00 10.00 C ATOM 284 O THR A 18 -5.332 3.568 8.457 1.00 50.00 O ATOM 285 CB THR A 18 -3.826 2.332 10.747 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.694 1.719 11.381 1.00 50.00 O ATOM 287 CG2 THR A 18 -5.077 2.038 11.560 1.00 50.00 C ATOM 0 H THR A 18 -2.336 2.967 8.746 1.00 10.00 H new ATOM 0 HA THR A 18 -4.053 0.702 9.354 1.00 10.00 H new ATOM 0 HB THR A 18 -3.683 3.411 10.696 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.601 2.067 12.292 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.955 2.430 12.570 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.937 2.512 11.088 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.236 0.961 11.606 1.00 50.00 H new ATOM 295 N LEU A 19 -6.206 1.496 8.421 1.00 10.00 N ATOM 296 CA LEU A 19 -7.428 1.900 7.735 1.00 50.00 C ATOM 297 C LEU A 19 -8.648 1.715 8.628 1.00 10.00 C ATOM 298 O LEU A 19 -8.636 0.897 9.548 1.00 50.00 O ATOM 299 CB LEU A 19 -7.594 1.104 6.433 1.00 50.00 C ATOM 300 CG LEU A 19 -6.464 1.285 5.411 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.645 0.309 4.255 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.457 2.721 4.909 1.00 50.00 C ATOM 0 H LEU A 19 -6.169 0.507 8.669 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.346 2.960 7.494 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.673 0.045 6.680 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.535 1.394 5.966 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.506 1.076 5.887 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.838 0.445 3.535 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.624 -0.713 4.635 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.602 0.496 3.768 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.654 2.849 4.183 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.413 2.946 4.436 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.299 3.399 5.748 1.00 50.00 H new ATOM 314 N SER A 20 -9.699 2.478 8.350 1.00 10.00 N ATOM 315 CA SER A 20 -10.978 2.296 9.025 1.00 10.00 C ATOM 316 C SER A 20 -11.793 1.186 8.374 1.00 50.00 C ATOM 317 O SER A 20 -12.255 0.264 9.046 1.00 50.00 O ATOM 318 CB SER A 20 -11.760 3.595 9.024 1.00 50.00 C ATOM 319 OG SER A 20 -12.107 3.998 7.729 1.00 50.00 O ATOM 0 H SER A 20 -9.690 3.230 7.661 1.00 10.00 H new ATOM 0 HA SER A 20 -10.778 2.004 10.056 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.664 3.474 9.620 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.166 4.376 9.500 1.00 50.00 H new ATOM 0 HG SER A 20 -12.611 4.837 7.772 1.00 50.00 H new ATOM 414 N THR A 27 -9.009 -10.858 5.751 1.00 50.00 N ATOM 415 CA THR A 27 -8.040 -11.932 5.938 1.00 50.00 C ATOM 416 C THR A 27 -6.680 -11.552 5.363 1.00 50.00 C ATOM 417 O THR A 27 -6.559 -10.574 4.627 1.00 50.00 O ATOM 418 CB THR A 27 -8.515 -13.242 5.284 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.590 -13.070 3.862 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.884 -13.639 5.815 1.00 75.00 C ATOM 0 HA THR A 27 -7.946 -12.087 7.013 1.00 50.00 H new ATOM 0 HB THR A 27 -7.801 -14.029 5.525 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.780 -12.131 3.656 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.203 -14.567 5.341 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.828 -13.783 6.894 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.604 -12.851 5.591 1.00 75.00 H new ATOM 428 N SER A 28 -5.662 -12.334 5.705 1.00 10.00 N ATOM 429 CA SER A 28 -4.305 -12.070 5.239 1.00 10.00 C ATOM 430 C SER A 28 -4.106 -12.570 3.814 1.00 10.00 C ATOM 431 O SER A 28 -4.663 -13.594 3.421 1.00 50.00 O ATOM 432 CB SER A 28 -3.299 -12.716 6.171 1.00 50.00 C ATOM 433 OG SER A 28 -3.358 -14.115 6.123 1.00 50.00 O ATOM 0 H SER A 28 -5.750 -13.156 6.303 1.00 10.00 H new ATOM 0 HA SER A 28 -4.148 -10.991 5.240 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.295 -12.387 5.904 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.484 -12.381 7.192 1.00 50.00 H new ATOM 0 HG SER A 28 -2.693 -14.492 6.736 1.00 50.00 H new ATOM 439 N ASP A 29 -3.306 -11.840 3.044 1.00 10.00 N ATOM 440 CA ASP A 29 -2.938 -12.268 1.698 1.00 10.00 C ATOM 441 C ASP A 29 -1.786 -11.436 1.152 1.00 10.00 C ATOM 442 O ASP A 29 -1.563 -10.305 1.586 1.00 50.00 O ATOM 443 CB ASP A 29 -4.144 -12.180 0.760 1.00 50.00 C ATOM 444 CG ASP A 29 -4.078 -13.119 -0.437 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.065 -13.752 -0.616 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.089 -13.315 -1.067 1.00 50.00 O ATOM 0 H ASP A 29 -2.900 -10.949 3.329 1.00 10.00 H new ATOM 0 HA ASP A 29 -2.610 -13.306 1.755 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.048 -12.398 1.328 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.234 -11.156 0.399 1.00 50.00 H new ATOM 451 N THR A 30 -1.057 -12.001 0.195 1.00 10.00 N ATOM 452 CA THR A 30 0.082 -11.316 -0.403 1.00 10.00 C ATOM 453 C THR A 30 -0.104 -11.148 -1.906 1.00 10.00 C ATOM 454 O THR A 30 -0.369 -12.115 -2.620 1.00 50.00 O ATOM 455 CB THR A 30 1.399 -12.071 -0.140 1.00 50.00 C ATOM 456 OG1 THR A 30 1.611 -12.192 1.271 1.00 50.00 O ATOM 457 CG2 THR A 30 2.571 -11.333 -0.765 1.00 50.00 C ATOM 0 H THR A 30 -1.235 -12.932 -0.183 1.00 10.00 H new ATOM 0 HA THR A 30 0.138 -10.334 0.066 1.00 10.00 H new ATOM 0 HB THR A 30 1.327 -13.062 -0.588 1.00 50.00 H new ATOM 0 HG1 THR A 30 2.448 -12.674 1.436 1.00 50.00 H new ATOM 0 HG21 THR A 30 3.492 -11.881 -0.569 1.00 50.00 H new ATOM 0 HG22 THR A 30 2.418 -11.253 -1.841 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.644 -10.335 -0.334 1.00 50.00 H new ATOM 465 N TYR A 31 0.035 -9.913 -2.379 1.00 10.00 N ATOM 466 CA TYR A 31 -0.072 -9.625 -3.804 1.00 10.00 C ATOM 467 C TYR A 31 1.136 -8.838 -4.298 1.00 10.00 C ATOM 468 O TYR A 31 1.675 -7.994 -3.581 1.00 50.00 O ATOM 469 CB TYR A 31 -1.358 -8.850 -4.099 1.00 50.00 C ATOM 470 CG TYR A 31 -2.622 -9.638 -3.832 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.123 -10.520 -4.778 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.311 -9.496 -2.637 1.00 50.00 C ATOM 473 CE1 TYR A 31 -4.277 -11.241 -4.541 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.465 -10.213 -2.388 1.00 50.00 C ATOM 475 CZ TYR A 31 -4.946 -11.086 -3.345 1.00 50.00 C ATOM 476 OH TYR A 31 -6.096 -11.802 -3.103 1.00 50.00 O ATOM 0 H TYR A 31 0.222 -9.097 -1.796 1.00 10.00 H new ATOM 0 HA TYR A 31 -0.102 -10.576 -4.335 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.372 -7.944 -3.494 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.350 -8.536 -5.143 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -2.602 -10.645 -5.716 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.939 -8.813 -1.888 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -4.654 -11.923 -5.289 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.988 -10.092 -1.451 1.00 50.00 H new ATOM 0 HH TYR A 31 -5.922 -12.478 -2.415 1.00 50.00 H new ATOM 486 N THR A 32 1.557 -9.118 -5.527 1.00 10.00 N ATOM 487 CA THR A 32 2.705 -8.441 -6.117 1.00 10.00 C ATOM 488 C THR A 32 2.331 -7.762 -7.428 1.00 10.00 C ATOM 489 O THR A 32 2.968 -6.794 -7.841 1.00 50.00 O ATOM 490 CB THR A 32 3.866 -9.419 -6.372 1.00 50.00 C ATOM 491 OG1 THR A 32 3.453 -10.426 -7.304 1.00 50.00 O ATOM 492 CG2 THR A 32 4.301 -10.083 -5.073 1.00 50.00 C ATOM 0 H THR A 32 1.119 -9.811 -6.134 1.00 10.00 H new ATOM 0 HA THR A 32 3.027 -7.686 -5.400 1.00 10.00 H new ATOM 0 HB THR A 32 4.707 -8.859 -6.782 1.00 50.00 H new ATOM 0 HG1 THR A 32 4.195 -11.046 -7.466 1.00 50.00 H new ATOM 0 HG21 THR A 32 5.123 -10.771 -5.273 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.630 -9.320 -4.367 1.00 50.00 H new ATOM 0 HG23 THR A 32 3.462 -10.634 -4.647 1.00 50.00 H new ATOM 500 N LYS A 33 1.291 -8.274 -8.078 1.00 10.00 N ATOM 501 CA LYS A 33 0.889 -7.781 -9.390 1.00 50.00 C ATOM 502 C LYS A 33 -0.573 -7.354 -9.393 1.00 50.00 C ATOM 503 O LYS A 33 -1.374 -7.839 -8.594 1.00 50.00 O ATOM 504 CB LYS A 33 1.128 -8.846 -10.460 1.00 50.00 C ATOM 505 CG LYS A 33 2.593 -9.191 -10.687 1.00 50.00 C ATOM 506 CD LYS A 33 2.752 -10.232 -11.786 1.00 50.00 C ATOM 507 CE LYS A 33 4.216 -10.577 -12.015 1.00 75.00 C ATOM 508 NZ LYS A 33 4.389 -11.584 -13.097 1.00 75.00 N ATOM 0 H LYS A 33 0.711 -9.031 -7.717 1.00 10.00 H new ATOM 0 HA LYS A 33 1.500 -6.908 -9.619 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.593 -9.753 -10.178 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.698 -8.502 -11.401 1.00 50.00 H new ATOM 0 HG2 LYS A 33 3.144 -8.289 -10.955 1.00 50.00 H new ATOM 0 HG3 LYS A 33 3.028 -9.567 -9.761 1.00 50.00 H new ATOM 0 HD2 LYS A 33 2.202 -11.134 -11.518 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.316 -9.856 -12.712 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.766 -9.671 -12.271 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.647 -10.961 -11.090 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.401 -11.791 -13.220 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.886 -12.458 -12.842 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 4.001 -11.208 -13.986 1.00 75.00 H new ATOM 522 N VAL A 34 -0.916 -6.443 -10.298 1.00 50.00 N ATOM 523 CA VAL A 34 -2.289 -5.965 -10.421 1.00 50.00 C ATOM 524 C VAL A 34 -3.221 -7.079 -10.880 1.00 50.00 C ATOM 525 O VAL A 34 -2.868 -7.881 -11.744 1.00 50.00 O ATOM 526 CB VAL A 34 -2.390 -4.786 -11.408 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.846 -4.434 -11.670 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.638 -3.577 -10.871 1.00 50.00 C ATOM 0 H VAL A 34 -0.262 -6.021 -10.957 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.593 -5.626 -9.431 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.933 -5.086 -12.351 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.898 -3.599 -12.369 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.358 -5.297 -12.096 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.327 -4.153 -10.733 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.719 -2.753 -11.580 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.067 -3.277 -9.915 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.588 -3.834 -10.732 1.00 50.00 H new ATOM 538 N ASP A 35 -4.413 -7.124 -10.295 1.00 50.00 N ATOM 539 CA ASP A 35 -5.410 -8.121 -10.663 1.00 50.00 C ATOM 540 C ASP A 35 -6.813 -7.668 -10.280 1.00 50.00 C ATOM 541 O ASP A 35 -6.983 -6.823 -9.401 1.00 50.00 O ATOM 542 CB ASP A 35 -5.094 -9.465 -10.001 1.00 50.00 C ATOM 543 CG ASP A 35 -5.733 -10.668 -10.682 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.392 -10.481 -11.676 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.430 -11.773 -10.298 1.00 50.00 O ATOM 0 H ASP A 35 -4.712 -6.480 -9.563 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.375 -8.241 -11.746 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.013 -9.603 -9.986 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.426 -9.432 -8.963 1.00 50.00 H new ATOM 550 N ASP A 36 -7.815 -8.231 -10.946 1.00 50.00 N ATOM 551 CA ASP A 36 -9.200 -7.837 -10.723 1.00 50.00 C ATOM 552 C ASP A 36 -9.739 -8.429 -9.428 1.00 50.00 C ATOM 553 O ASP A 36 -10.795 -8.022 -8.940 1.00 50.00 O ATOM 554 CB ASP A 36 -10.077 -8.269 -11.902 1.00 50.00 C ATOM 555 CG ASP A 36 -9.866 -7.456 -13.172 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.254 -6.417 -13.095 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.180 -7.951 -14.228 1.00 50.00 O ATOM 0 H ASP A 36 -7.693 -8.963 -11.646 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.228 -6.751 -10.640 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.881 -9.319 -12.120 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.124 -8.195 -11.607 1.00 50.00 H new ATOM 562 N SER A 37 -9.011 -9.389 -8.872 1.00 50.00 N ATOM 563 CA SER A 37 -9.411 -10.035 -7.627 1.00 50.00 C ATOM 564 C SER A 37 -9.173 -9.122 -6.433 1.00 50.00 C ATOM 565 O SER A 37 -9.679 -9.369 -5.337 1.00 50.00 O ATOM 566 CB SER A 37 -8.662 -11.342 -7.452 1.00 50.00 C ATOM 567 OG SER A 37 -7.287 -11.140 -7.275 1.00 50.00 O ATOM 0 H SER A 37 -8.137 -9.739 -9.265 1.00 50.00 H new ATOM 0 HA SER A 37 -10.479 -10.244 -7.681 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.063 -11.877 -6.592 1.00 50.00 H new ATOM 0 HB3 SER A 37 -8.826 -11.973 -8.325 1.00 50.00 H new ATOM 0 HG SER A 37 -6.841 -12.005 -7.164 1.00 50.00 H new ATOM 573 N GLN A 38 -8.398 -8.063 -6.647 1.00 50.00 N ATOM 574 CA GLN A 38 -8.018 -7.159 -5.568 1.00 50.00 C ATOM 575 C GLN A 38 -8.880 -5.903 -5.573 1.00 50.00 C ATOM 576 O GLN A 38 -9.393 -5.494 -6.615 1.00 50.00 O ATOM 577 CB GLN A 38 -6.541 -6.773 -5.688 1.00 50.00 C ATOM 578 CG GLN A 38 -5.581 -7.947 -5.598 1.00 50.00 C ATOM 579 CD GLN A 38 -4.165 -7.568 -5.984 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.465 -6.880 -5.236 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.734 -8.010 -7.161 1.00 50.00 N ATOM 0 H GLN A 38 -8.020 -7.810 -7.560 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.176 -7.683 -4.625 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.386 -6.264 -6.639 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.299 -6.059 -4.901 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.585 -8.338 -4.581 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.930 -8.749 -6.249 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -4.346 -8.576 -7.748 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.791 -7.783 -7.477 1.00 50.00 H new ATOM 590 N PRO A 39 -9.036 -5.295 -4.403 1.00 50.00 N ATOM 591 CA PRO A 39 -9.672 -3.986 -4.298 1.00 50.00 C ATOM 592 C PRO A 39 -9.060 -2.997 -5.280 1.00 50.00 C ATOM 593 O PRO A 39 -7.860 -3.035 -5.550 1.00 50.00 O ATOM 594 CB PRO A 39 -9.440 -3.574 -2.841 1.00 50.00 C ATOM 595 CG PRO A 39 -9.255 -4.862 -2.114 1.00 50.00 C ATOM 596 CD PRO A 39 -8.539 -5.767 -3.081 1.00 50.00 C ATOM 0 HA PRO A 39 -10.732 -4.009 -4.549 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.563 -2.934 -2.744 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.288 -3.014 -2.447 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.672 -4.719 -1.204 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.214 -5.286 -1.815 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.456 -5.672 -2.998 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.781 -6.816 -2.909 1.00 50.00 H new ATOM 604 N ALA A 40 -9.893 -2.108 -5.811 1.00 50.00 N ATOM 605 CA ALA A 40 -9.409 -0.972 -6.588 1.00 50.00 C ATOM 606 C ALA A 40 -8.328 -0.210 -5.833 1.00 50.00 C ATOM 607 O ALA A 40 -7.348 0.242 -6.421 1.00 50.00 O ATOM 608 CB ALA A 40 -10.562 -0.048 -6.949 1.00 50.00 C ATOM 0 H ALA A 40 -10.908 -2.152 -5.717 1.00 50.00 H new ATOM 0 HA ALA A 40 -8.967 -1.355 -7.508 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.185 0.795 -7.529 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.296 -0.596 -7.540 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.032 0.320 -6.037 1.00 50.00 H new ATOM 614 N PHE A 41 -8.514 -0.073 -4.523 1.00 50.00 N ATOM 615 CA PHE A 41 -7.543 0.615 -3.680 1.00 50.00 C ATOM 616 C PHE A 41 -6.157 -0.002 -3.821 1.00 50.00 C ATOM 617 O PHE A 41 -5.148 0.702 -3.788 1.00 50.00 O ATOM 618 CB PHE A 41 -7.989 0.582 -2.217 1.00 50.00 C ATOM 619 CG PHE A 41 -9.216 1.402 -1.939 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.114 2.746 -1.618 1.00 75.00 C ATOM 621 CD2 PHE A 41 -10.479 0.828 -1.999 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.242 3.501 -1.361 1.00 75.00 C ATOM 623 CE2 PHE A 41 -11.609 1.581 -1.744 1.00 75.00 C ATOM 624 CZ PHE A 41 -11.491 2.917 -1.425 1.00 75.00 C ATOM 0 H PHE A 41 -9.328 -0.430 -4.023 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.488 1.652 -4.010 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.181 -0.451 -1.929 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -7.173 0.942 -1.590 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.140 3.209 -1.568 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -10.579 -0.218 -2.248 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.147 4.547 -1.110 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -12.586 1.123 -1.795 1.00 75.00 H new ATOM 0 HZ PHE A 41 -12.374 3.506 -1.226 1.00 75.00 H new ATOM 634 N ILE A 42 -6.116 -1.321 -3.974 1.00 50.00 N ATOM 635 CA ILE A 42 -4.851 -2.041 -4.063 1.00 50.00 C ATOM 636 C ILE A 42 -4.263 -1.949 -5.466 1.00 10.00 C ATOM 637 O ILE A 42 -3.054 -1.780 -5.633 1.00 50.00 O ATOM 638 CB ILE A 42 -5.017 -3.524 -3.683 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.593 -3.651 -2.271 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.686 -4.252 -3.787 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.733 -3.019 -1.200 1.00 50.00 C ATOM 0 H ILE A 42 -6.944 -1.913 -4.039 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.170 -1.569 -3.355 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.715 -3.986 -4.382 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.581 -3.190 -2.249 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.729 -4.707 -2.038 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.822 -5.299 -3.515 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.315 -4.188 -4.810 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.966 -3.792 -3.111 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -5.208 -3.150 -0.228 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.753 -3.495 -1.192 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.618 -1.955 -1.407 1.00 50.00 H new ATOM 653 N ASN A 43 -5.124 -2.060 -6.471 1.00 10.00 N ATOM 654 CA ASN A 43 -4.684 -2.051 -7.862 1.00 10.00 C ATOM 655 C ASN A 43 -4.089 -0.702 -8.243 1.00 10.00 C ATOM 656 O ASN A 43 -3.025 -0.634 -8.859 1.00 50.00 O ATOM 657 CB ASN A 43 -5.816 -2.411 -8.805 1.00 50.00 C ATOM 658 CG ASN A 43 -6.165 -3.874 -8.804 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.327 -4.732 -8.503 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.373 -4.167 -9.214 1.00 50.00 N ATOM 0 H ASN A 43 -6.132 -2.157 -6.349 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.908 -2.810 -7.958 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.701 -1.836 -8.532 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.542 -2.113 -9.817 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.661 -5.142 -9.298 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.027 -3.420 -9.450 1.00 50.00 H new ATOM 667 N ASP A 44 -4.780 0.369 -7.872 1.00 10.00 N ATOM 668 CA ASP A 44 -4.300 1.721 -8.137 1.00 10.00 C ATOM 669 C ASP A 44 -2.899 1.926 -7.578 1.00 10.00 C ATOM 670 O ASP A 44 -2.019 2.450 -8.260 1.00 50.00 O ATOM 671 CB ASP A 44 -5.260 2.756 -7.547 1.00 50.00 C ATOM 672 CG ASP A 44 -6.567 2.913 -8.313 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.652 2.415 -9.411 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.516 3.388 -7.738 1.00 50.00 O ATOM 0 H ASP A 44 -5.676 0.328 -7.386 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.258 1.855 -9.218 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.488 2.477 -6.518 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.756 3.722 -7.511 1.00 50.00 H new ATOM 679 N ILE A 45 -2.698 1.511 -6.332 1.00 10.00 N ATOM 680 CA ILE A 45 -1.402 1.649 -5.679 1.00 10.00 C ATOM 681 C ILE A 45 -0.329 0.851 -6.407 1.00 10.00 C ATOM 682 O ILE A 45 0.778 1.339 -6.631 1.00 50.00 O ATOM 683 CB ILE A 45 -1.459 1.194 -4.209 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.348 2.135 -3.392 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.060 1.131 -3.616 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.696 1.609 -2.017 1.00 50.00 C ATOM 0 H ILE A 45 -3.417 1.076 -5.754 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.146 2.708 -5.712 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.892 0.194 -4.173 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.843 3.095 -3.286 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.270 2.319 -3.944 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.120 0.808 -2.577 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.544 0.422 -4.183 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.400 2.118 -3.663 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.328 2.332 -1.500 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.230 0.664 -2.113 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.781 1.452 -1.445 1.00 50.00 H new ATOM 698 N LEU A 46 -0.664 -0.380 -6.775 1.00 10.00 N ATOM 699 CA LEU A 46 0.240 -1.222 -7.550 1.00 10.00 C ATOM 700 C LEU A 46 0.643 -0.542 -8.853 1.00 10.00 C ATOM 701 O LEU A 46 1.787 -0.652 -9.293 1.00 50.00 O ATOM 702 CB LEU A 46 -0.413 -2.580 -7.836 1.00 50.00 C ATOM 703 CG LEU A 46 -0.548 -3.508 -6.622 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.416 -4.707 -6.975 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.835 -3.958 -6.169 1.00 50.00 C ATOM 0 H LEU A 46 -1.557 -0.818 -6.549 1.00 10.00 H new ATOM 0 HA LEU A 46 1.143 -1.382 -6.961 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.405 -2.407 -8.253 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.170 -3.092 -8.601 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.027 -2.969 -5.804 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.506 -5.360 -6.107 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.406 -4.364 -7.275 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.959 -5.258 -7.797 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.739 -4.617 -5.306 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.328 -4.493 -6.981 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.430 -3.087 -5.895 1.00 50.00 H new ATOM 717 N LYS A 47 -0.304 0.158 -9.467 1.00 10.00 N ATOM 718 CA LYS A 47 -0.068 0.804 -10.751 1.00 10.00 C ATOM 719 C LYS A 47 0.810 2.039 -10.595 1.00 10.00 C ATOM 720 O LYS A 47 1.440 2.491 -11.551 1.00 50.00 O ATOM 721 CB LYS A 47 -1.393 1.183 -11.412 1.00 50.00 C ATOM 722 CG LYS A 47 -2.209 -0.003 -11.914 1.00 50.00 C ATOM 723 CD LYS A 47 -3.541 0.446 -12.493 1.00 50.00 C ATOM 724 CE LYS A 47 -4.357 -0.738 -12.991 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.658 -0.312 -13.571 1.00 50.00 N ATOM 0 H LYS A 47 -1.244 0.292 -9.095 1.00 10.00 H new ATOM 0 HA LYS A 47 0.456 0.092 -11.389 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.994 1.745 -10.697 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.189 1.849 -12.250 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.643 -0.541 -12.674 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.383 -0.700 -11.094 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -4.106 0.986 -11.733 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.367 1.141 -13.314 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.785 -1.282 -13.743 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.536 -1.428 -12.166 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -6.183 -1.148 -13.898 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -6.215 0.185 -12.847 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.488 0.326 -14.374 1.00 50.00 H new ATOM 739 N VAL A 48 0.849 2.581 -9.381 1.00 10.00 N ATOM 740 CA VAL A 48 1.759 3.673 -9.060 1.00 10.00 C ATOM 741 C VAL A 48 3.211 3.239 -9.201 1.00 10.00 C ATOM 742 O VAL A 48 3.646 2.276 -8.568 1.00 50.00 O ATOM 743 CB VAL A 48 1.529 4.199 -7.630 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.599 5.212 -7.256 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.145 4.820 -7.509 1.00 50.00 C ATOM 0 H VAL A 48 0.260 2.281 -8.604 1.00 10.00 H new ATOM 0 HA VAL A 48 1.551 4.473 -9.770 1.00 10.00 H new ATOM 0 HB VAL A 48 1.594 3.358 -6.939 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.420 5.573 -6.243 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.580 4.740 -7.305 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.565 6.051 -7.951 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.002 5.187 -6.493 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.056 5.649 -8.211 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.612 4.069 -7.737 1.00 50.00 H new ATOM 755 N GLU A 49 3.961 3.953 -10.035 1.00 10.00 N ATOM 756 CA GLU A 49 5.361 3.630 -10.276 1.00 10.00 C ATOM 757 C GLU A 49 6.168 3.679 -8.986 1.00 10.00 C ATOM 758 O GLU A 49 6.159 4.685 -8.275 1.00 50.00 O ATOM 759 CB GLU A 49 5.961 4.585 -11.309 1.00 50.00 C ATOM 760 CG GLU A 49 7.395 4.263 -11.705 1.00 50.00 C ATOM 761 CD GLU A 49 7.899 5.216 -12.753 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.139 6.047 -13.188 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.074 5.188 -13.037 1.00 50.00 O ATOM 0 H GLU A 49 3.620 4.761 -10.556 1.00 10.00 H new ATOM 0 HA GLU A 49 5.406 2.613 -10.666 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.338 4.571 -12.203 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.926 5.599 -10.912 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.037 4.313 -10.826 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.450 3.242 -12.082 1.00 50.00 H new ATOM 770 N GLY A 50 6.866 2.589 -8.688 1.00 10.00 N ATOM 771 CA GLY A 50 7.751 2.538 -7.531 1.00 10.00 C ATOM 772 C GLY A 50 7.296 1.481 -6.532 1.00 10.00 C ATOM 773 O GLY A 50 8.104 0.928 -5.788 1.00 50.00 O ATOM 0 H GLY A 50 6.836 1.727 -9.233 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.768 2.319 -7.858 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.775 3.514 -7.046 1.00 10.00 H new ATOM 777 N VAL A 51 5.996 1.207 -6.523 1.00 10.00 N ATOM 778 CA VAL A 51 5.428 0.214 -5.618 1.00 10.00 C ATOM 779 C VAL A 51 5.823 -1.196 -6.034 1.00 10.00 C ATOM 780 O VAL A 51 5.653 -1.584 -7.190 1.00 50.00 O ATOM 781 CB VAL A 51 3.894 0.312 -5.562 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.318 -0.813 -4.713 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.465 1.663 -5.011 1.00 50.00 C ATOM 0 H VAL A 51 5.315 1.659 -7.133 1.00 10.00 H new ATOM 0 HA VAL A 51 5.831 0.424 -4.627 1.00 10.00 H new ATOM 0 HB VAL A 51 3.507 0.214 -6.576 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.232 -0.728 -4.685 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.595 -1.774 -5.146 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.714 -0.744 -3.700 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.377 1.714 -4.979 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.864 1.789 -4.005 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.846 2.456 -5.654 1.00 50.00 H new ATOM 793 N LYS A 52 6.350 -1.962 -5.085 1.00 10.00 N ATOM 794 CA LYS A 52 6.883 -3.287 -5.376 1.00 10.00 C ATOM 795 C LYS A 52 5.839 -4.368 -5.129 1.00 10.00 C ATOM 796 O LYS A 52 5.489 -5.127 -6.034 1.00 50.00 O ATOM 797 CB LYS A 52 8.131 -3.560 -4.536 1.00 50.00 C ATOM 798 CG LYS A 52 8.773 -4.917 -4.785 1.00 50.00 C ATOM 799 CD LYS A 52 10.023 -5.104 -3.936 1.00 50.00 C ATOM 800 CE LYS A 52 10.678 -6.450 -4.203 1.00 50.00 C ATOM 801 NZ LYS A 52 11.935 -6.621 -3.426 1.00 50.00 N ATOM 0 H LYS A 52 6.419 -1.687 -4.105 1.00 10.00 H new ATOM 0 HA LYS A 52 7.155 -3.311 -6.431 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.867 -2.781 -4.737 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.867 -3.485 -3.481 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.057 -5.707 -4.560 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.030 -5.011 -5.840 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.732 -4.304 -4.148 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.763 -5.027 -2.880 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.982 -7.249 -3.947 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.894 -6.544 -5.267 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.350 -7.551 -3.637 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.609 -5.874 -3.688 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.726 -6.558 -2.409 1.00 50.00 H new ATOM 815 N SER A 53 5.342 -4.433 -3.898 1.00 10.00 N ATOM 816 CA SER A 53 4.351 -5.436 -3.524 1.00 10.00 C ATOM 817 C SER A 53 3.506 -4.961 -2.348 1.00 10.00 C ATOM 818 O SER A 53 3.922 -4.093 -1.582 1.00 50.00 O ATOM 819 CB SER A 53 5.035 -6.747 -3.188 1.00 50.00 C ATOM 820 OG SER A 53 5.820 -6.650 -2.031 1.00 50.00 O ATOM 0 H SER A 53 5.609 -3.803 -3.142 1.00 10.00 H new ATOM 0 HA SER A 53 3.687 -5.591 -4.374 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.282 -7.524 -3.051 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.661 -7.054 -4.026 1.00 50.00 H new ATOM 0 HG SER A 53 6.324 -5.810 -2.047 1.00 50.00 H new ATOM 826 N ILE A 54 2.318 -5.538 -2.211 1.00 10.00 N ATOM 827 CA ILE A 54 1.390 -5.137 -1.161 1.00 10.00 C ATOM 828 C ILE A 54 0.895 -6.343 -0.372 1.00 10.00 C ATOM 829 O ILE A 54 0.421 -7.323 -0.949 1.00 50.00 O ATOM 830 CB ILE A 54 0.178 -4.380 -1.737 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.635 -3.112 -2.461 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.809 -4.039 -0.632 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.486 -2.351 -3.128 1.00 50.00 C ATOM 0 H ILE A 54 1.975 -6.285 -2.814 1.00 10.00 H new ATOM 0 HA ILE A 54 1.939 -4.472 -0.494 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.323 -5.026 -2.458 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.131 -2.456 -1.746 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.376 -3.382 -3.214 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.659 -3.504 -1.056 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.157 -4.957 -0.159 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.319 -3.410 0.112 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.083 -1.466 -3.619 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.969 -2.989 -3.868 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.217 -2.048 -2.378 1.00 50.00 H new ATOM 845 N PHE A 55 1.009 -6.267 0.948 1.00 10.00 N ATOM 846 CA PHE A 55 0.469 -7.300 1.824 1.00 10.00 C ATOM 847 C PHE A 55 -0.747 -6.793 2.590 1.00 10.00 C ATOM 848 O PHE A 55 -0.707 -5.723 3.198 1.00 50.00 O ATOM 849 CB PHE A 55 1.542 -7.786 2.801 1.00 50.00 C ATOM 850 CG PHE A 55 1.033 -8.766 3.821 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.705 -10.062 3.453 1.00 50.00 C ATOM 852 CD2 PHE A 55 0.884 -8.395 5.148 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.237 -10.965 4.389 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.417 -9.294 6.086 1.00 50.00 C ATOM 855 CZ PHE A 55 0.093 -10.580 5.705 1.00 50.00 C ATOM 0 H PHE A 55 1.471 -5.500 1.436 1.00 10.00 H new ATOM 0 HA PHE A 55 0.153 -8.136 1.200 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.351 -8.250 2.237 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.967 -6.925 3.318 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.816 -10.369 2.424 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.136 -7.390 5.452 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.016 -11.971 4.090 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.305 -8.991 7.117 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.273 -11.284 6.437 1.00 50.00 H new ATOM 865 N HIS A 56 -1.826 -7.566 2.556 1.00 10.00 N ATOM 866 CA HIS A 56 -3.051 -7.203 3.257 1.00 10.00 C ATOM 867 C HIS A 56 -3.316 -8.144 4.425 1.00 10.00 C ATOM 868 O HIS A 56 -3.200 -9.362 4.292 1.00 50.00 O ATOM 869 CB HIS A 56 -4.246 -7.210 2.299 1.00 50.00 C ATOM 870 CG HIS A 56 -5.554 -6.912 2.964 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.316 -7.886 3.576 1.00 50.00 N ATOM 872 CD2 HIS A 56 -6.234 -5.751 3.114 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.409 -7.335 4.075 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.384 -6.043 3.808 1.00 50.00 N ATOM 0 H HIS A 56 -1.877 -8.450 2.049 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.920 -6.195 3.650 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.073 -6.476 1.512 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.308 -8.186 1.817 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -6.074 -8.875 3.634 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.930 -4.778 2.756 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.190 -7.854 4.610 1.00 50.00 H new ATOM 882 N VAL A 57 -3.673 -7.572 5.570 1.00 10.00 N ATOM 883 CA VAL A 57 -4.101 -8.359 6.720 1.00 10.00 C ATOM 884 C VAL A 57 -5.023 -7.555 7.626 1.00 10.00 C ATOM 885 O VAL A 57 -4.718 -6.419 7.988 1.00 50.00 O ATOM 886 CB VAL A 57 -2.898 -8.859 7.541 1.00 50.00 C ATOM 887 CG1 VAL A 57 -2.052 -7.687 8.017 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.368 -9.690 8.725 1.00 50.00 C ATOM 0 H VAL A 57 -3.674 -6.564 5.726 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.644 -9.219 6.327 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.283 -9.490 6.899 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.207 -8.060 8.595 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.685 -7.130 7.155 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.658 -7.031 8.642 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.504 -10.035 9.293 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -4.005 -9.081 9.367 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.932 -10.550 8.365 1.00 50.00 H new ATOM 898 N MET A 58 -6.152 -8.151 7.994 1.00 10.00 N ATOM 899 CA MET A 58 -7.103 -7.507 8.891 1.00 10.00 C ATOM 900 C MET A 58 -7.647 -6.219 8.285 1.00 10.00 C ATOM 901 O MET A 58 -8.180 -6.220 7.175 1.00 50.00 O ATOM 902 CB MET A 58 -6.446 -7.220 10.239 1.00 50.00 C ATOM 903 CG MET A 58 -7.424 -6.999 11.383 1.00 50.00 C ATOM 904 SD MET A 58 -6.601 -6.577 12.931 1.00 75.00 S ATOM 905 CE MET A 58 -5.780 -8.122 13.309 1.00 75.00 C ATOM 0 H MET A 58 -6.431 -9.082 7.684 1.00 10.00 H new ATOM 0 HA MET A 58 -7.940 -8.189 9.041 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.790 -8.053 10.494 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.816 -6.336 10.141 1.00 50.00 H new ATOM 0 HG2 MET A 58 -8.116 -6.201 11.115 1.00 50.00 H new ATOM 0 HG3 MET A 58 -8.019 -7.901 11.527 1.00 50.00 H new ATOM 0 HE1 MET A 58 -5.453 -8.116 14.349 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.471 -8.950 13.151 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.914 -8.243 12.658 1.00 75.00 H new ATOM 915 N ASP A 59 -7.509 -5.121 9.019 1.00 10.00 N ATOM 916 CA ASP A 59 -7.965 -3.821 8.546 1.00 10.00 C ATOM 917 C ASP A 59 -6.802 -2.847 8.402 1.00 10.00 C ATOM 918 O ASP A 59 -6.951 -1.647 8.635 1.00 50.00 O ATOM 919 CB ASP A 59 -9.019 -3.244 9.494 1.00 50.00 C ATOM 920 CG ASP A 59 -8.531 -3.024 10.920 1.00 50.00 C ATOM 921 OD1 ASP A 59 -7.422 -3.406 11.211 1.00 75.00 O ATOM 922 OD2 ASP A 59 -9.199 -2.342 11.658 1.00 50.00 O ATOM 0 H ASP A 59 -7.084 -5.106 9.946 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.414 -3.964 7.563 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.370 -2.293 9.092 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.877 -3.916 9.516 1.00 50.00 H new ATOM 927 N PHE A 60 -5.643 -3.371 8.018 1.00 10.00 N ATOM 928 CA PHE A 60 -4.480 -2.537 7.739 1.00 10.00 C ATOM 929 C PHE A 60 -3.587 -3.172 6.682 1.00 10.00 C ATOM 930 O PHE A 60 -3.597 -4.389 6.496 1.00 50.00 O ATOM 931 CB PHE A 60 -3.683 -2.288 9.021 1.00 50.00 C ATOM 932 CG PHE A 60 -3.103 -3.534 9.626 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.852 -4.317 10.491 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.805 -3.928 9.331 1.00 50.00 C ATOM 935 CE1 PHE A 60 -3.321 -5.463 11.049 1.00 50.00 C ATOM 936 CE2 PHE A 60 -1.271 -5.075 9.886 1.00 50.00 C ATOM 937 CZ PHE A 60 -2.028 -5.842 10.746 1.00 50.00 C ATOM 0 H PHE A 60 -5.484 -4.371 7.893 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.838 -1.583 7.352 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.874 -1.590 8.805 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -4.332 -1.808 9.753 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -4.864 -4.027 10.732 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -1.206 -3.331 8.660 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -3.916 -6.062 11.722 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -0.260 -5.371 9.646 1.00 50.00 H new ATOM 0 HZ PHE A 60 -1.611 -6.738 11.182 1.00 50.00 H new ATOM 947 N ILE A 61 -2.815 -2.342 5.989 1.00 10.00 N ATOM 948 CA ILE A 61 -2.081 -2.782 4.810 1.00 10.00 C ATOM 949 C ILE A 61 -0.595 -2.466 4.935 1.00 10.00 C ATOM 950 O ILE A 61 -0.217 -1.387 5.388 1.00 50.00 O ATOM 951 CB ILE A 61 -2.627 -2.129 3.527 1.00 50.00 C ATOM 952 CG1 ILE A 61 -4.103 -2.488 3.332 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.808 -2.558 2.321 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.758 -1.772 2.173 1.00 50.00 C ATOM 0 H ILE A 61 -2.682 -1.359 6.225 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.216 -3.862 4.743 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.546 -1.047 3.628 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.188 -3.564 3.177 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.648 -2.254 4.246 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.208 -2.087 1.423 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.770 -2.254 2.459 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.857 -3.642 2.215 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.802 -2.078 2.099 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.706 -0.695 2.334 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.239 -2.026 1.249 1.00 50.00 H new ATOM 966 N SER A 62 0.242 -3.415 4.531 1.00 10.00 N ATOM 967 CA SER A 62 1.680 -3.190 4.466 1.00 10.00 C ATOM 968 C SER A 62 2.144 -3.010 3.025 1.00 10.00 C ATOM 969 O SER A 62 2.136 -3.955 2.237 1.00 50.00 O ATOM 970 CB SER A 62 2.420 -4.342 5.117 1.00 50.00 C ATOM 971 OG SER A 62 3.810 -4.198 5.020 1.00 50.00 O ATOM 0 H SER A 62 -0.052 -4.348 4.243 1.00 10.00 H new ATOM 0 HA SER A 62 1.904 -2.272 5.009 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.135 -4.408 6.167 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.119 -5.278 4.646 1.00 50.00 H new ATOM 0 HG SER A 62 4.249 -4.960 5.453 1.00 50.00 H new ATOM 977 N VAL A 63 2.545 -1.789 2.687 1.00 10.00 N ATOM 978 CA VAL A 63 2.953 -1.467 1.325 1.00 10.00 C ATOM 979 C VAL A 63 4.448 -1.189 1.248 1.00 10.00 C ATOM 980 O VAL A 63 4.978 -0.373 2.000 1.00 50.00 O ATOM 981 CB VAL A 63 2.187 -0.248 0.781 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.646 0.084 -0.630 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.688 -0.505 0.803 1.00 50.00 C ATOM 0 H VAL A 63 2.596 -1.006 3.338 1.00 10.00 H new ATOM 0 HA VAL A 63 2.717 -2.337 0.713 1.00 10.00 H new ATOM 0 HB VAL A 63 2.401 0.605 1.425 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.094 0.948 -0.998 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.712 0.311 -0.622 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.462 -0.769 -1.283 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.163 0.368 0.415 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.458 -1.372 0.183 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.367 -0.696 1.827 1.00 50.00 H new ATOM 993 N ASP A 64 5.126 -1.877 0.332 1.00 10.00 N ATOM 994 CA ASP A 64 6.575 -1.777 0.220 1.00 10.00 C ATOM 995 C ASP A 64 6.994 -1.440 -1.205 1.00 10.00 C ATOM 996 O ASP A 64 6.358 -1.871 -2.168 1.00 50.00 O ATOM 997 CB ASP A 64 7.238 -3.081 0.667 1.00 50.00 C ATOM 998 CG ASP A 64 6.867 -4.297 -0.170 1.00 50.00 C ATOM 999 OD1 ASP A 64 7.193 -4.314 -1.333 1.00 50.00 O ATOM 1000 OD2 ASP A 64 6.403 -5.261 0.391 1.00 50.00 O ATOM 0 H ASP A 64 4.693 -2.509 -0.342 1.00 10.00 H new ATOM 0 HA ASP A 64 6.905 -0.970 0.874 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.320 -2.952 0.638 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.968 -3.274 1.705 1.00 50.00 H new ATOM 1005 N LYS A 65 8.069 -0.668 -1.334 1.00 10.00 N ATOM 1006 CA LYS A 65 8.484 -0.146 -2.630 1.00 10.00 C ATOM 1007 C LYS A 65 9.772 -0.807 -3.104 1.00 10.00 C ATOM 1008 O LYS A 65 10.326 -1.667 -2.421 1.00 50.00 O ATOM 1009 CB LYS A 65 8.667 1.371 -2.559 1.00 50.00 C ATOM 1010 CG LYS A 65 9.786 1.827 -1.631 1.00 50.00 C ATOM 1011 CD LYS A 65 9.989 3.333 -1.707 1.00 50.00 C ATOM 1012 CE LYS A 65 11.000 3.809 -0.675 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.379 3.350 -0.994 1.00 50.00 N ATOM 0 H LYS A 65 8.668 -0.391 -0.556 1.00 10.00 H new ATOM 0 HA LYS A 65 7.699 -0.376 -3.350 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.867 1.748 -3.562 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.731 1.823 -2.229 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.550 1.541 -0.606 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.713 1.319 -1.898 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.330 3.606 -2.706 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.037 3.839 -1.546 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.982 4.898 -0.625 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.714 3.440 0.310 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.067 3.925 -0.467 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.484 2.351 -0.723 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.551 3.452 -2.015 1.00 50.00 H new ATOM 1027 N GLU A 66 10.241 -0.401 -4.279 1.00 10.00 N ATOM 1028 CA GLU A 66 11.540 -0.837 -4.776 1.00 10.00 C ATOM 1029 C GLU A 66 12.662 0.032 -4.224 1.00 10.00 C ATOM 1030 O GLU A 66 12.415 1.110 -3.682 1.00 50.00 O ATOM 1031 CB GLU A 66 11.563 -0.814 -6.306 1.00 50.00 C ATOM 1032 CG GLU A 66 10.590 -1.781 -6.964 1.00 50.00 C ATOM 1033 CD GLU A 66 10.719 -1.753 -8.462 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.455 -0.935 -8.960 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.170 -2.619 -9.102 1.00 50.00 O ATOM 0 H GLU A 66 9.740 0.230 -4.905 1.00 10.00 H new ATOM 0 HA GLU A 66 11.701 -1.859 -4.434 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.337 0.197 -6.645 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.572 -1.046 -6.646 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.776 -2.791 -6.600 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.570 -1.523 -6.680 1.00 50.00 H new ATOM 1042 N ASN A 67 13.895 -0.442 -4.362 1.00 10.00 N ATOM 1043 CA ASN A 67 15.053 0.261 -3.822 1.00 10.00 C ATOM 1044 C ASN A 67 15.246 1.608 -4.505 1.00 10.00 C ATOM 1045 O ASN A 67 15.578 2.601 -3.859 1.00 50.00 O ATOM 1046 CB ASN A 67 16.314 -0.574 -3.939 1.00 50.00 C ATOM 1047 CG ASN A 67 16.379 -1.713 -2.960 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.712 -1.703 -1.919 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.240 -2.656 -3.249 1.00 50.00 N ATOM 0 H ASN A 67 14.119 -1.312 -4.844 1.00 10.00 H new ATOM 0 HA ASN A 67 14.859 0.436 -2.764 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.382 -0.973 -4.951 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.181 0.070 -3.791 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.385 -3.430 -2.601 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.765 -2.617 -4.122 1.00 50.00 H new ATOM 1056 N ASP A 68 15.037 1.636 -5.817 1.00 10.00 N ATOM 1057 CA ASP A 68 15.191 2.861 -6.592 1.00 10.00 C ATOM 1058 C ASP A 68 14.103 3.870 -6.246 1.00 10.00 C ATOM 1059 O ASP A 68 14.365 5.069 -6.144 1.00 50.00 O ATOM 1060 CB ASP A 68 15.165 2.554 -8.091 1.00 50.00 C ATOM 1061 CG ASP A 68 16.421 1.871 -8.615 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.397 1.842 -7.905 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.348 1.250 -9.648 1.00 50.00 O ATOM 0 H ASP A 68 14.760 0.822 -6.366 1.00 10.00 H new ATOM 0 HA ASP A 68 16.156 3.298 -6.337 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.305 1.919 -8.305 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.018 3.485 -8.638 1.00 50.00 H new ATOM 1068 N ALA A 69 12.882 3.378 -6.067 1.00 10.00 N ATOM 1069 CA ALA A 69 11.741 4.243 -5.790 1.00 10.00 C ATOM 1070 C ALA A 69 11.916 4.977 -4.467 1.00 10.00 C ATOM 1071 O ALA A 69 12.675 4.544 -3.601 1.00 50.00 O ATOM 1072 CB ALA A 69 10.452 3.434 -5.784 1.00 50.00 C ATOM 0 H ALA A 69 12.657 2.384 -6.109 1.00 10.00 H new ATOM 0 HA ALA A 69 11.683 4.989 -6.582 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.609 4.094 -5.576 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.313 2.964 -6.758 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.509 2.664 -5.014 1.00 50.00 H new ATOM 1078 N ASN A 70 11.207 6.092 -4.317 1.00 10.00 N ATOM 1079 CA ASN A 70 11.188 6.823 -3.055 1.00 10.00 C ATOM 1080 C ASN A 70 9.761 7.050 -2.573 1.00 10.00 C ATOM 1081 O ASN A 70 8.830 7.132 -3.374 1.00 50.00 O ATOM 1082 CB ASN A 70 11.921 8.147 -3.171 1.00 50.00 C ATOM 1083 CG ASN A 70 13.382 8.004 -3.492 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.183 7.573 -2.655 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.745 8.441 -4.671 1.00 50.00 N ATOM 0 H ASN A 70 10.638 6.509 -5.054 1.00 10.00 H new ATOM 0 HA ASN A 70 11.707 6.210 -2.318 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.445 8.749 -3.946 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.816 8.693 -2.234 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.730 8.436 -4.936 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.043 8.787 -5.325 1.00 50.00 H new ATOM 1092 N TRP A 71 9.595 7.153 -1.258 1.00 10.00 N ATOM 1093 CA TRP A 71 8.288 7.417 -0.670 1.00 10.00 C ATOM 1094 C TRP A 71 7.828 8.839 -0.962 1.00 10.00 C ATOM 1095 O TRP A 71 6.633 9.132 -0.944 1.00 50.00 O ATOM 1096 CB TRP A 71 8.326 7.178 0.840 1.00 50.00 C ATOM 1097 CG TRP A 71 8.306 5.729 1.218 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.237 5.065 1.959 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.305 4.763 0.875 1.00 50.00 C ATOM 1100 NE1 TRP A 71 8.882 3.747 2.099 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.696 3.537 1.443 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.113 4.818 0.143 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 6.946 2.380 1.300 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.360 3.658 0.002 1.00 50.00 C ATOM 1105 CH2 TRP A 71 5.765 2.474 0.564 1.00 50.00 C ATOM 0 H TRP A 71 10.351 7.057 -0.580 1.00 10.00 H new ATOM 0 HA TRP A 71 7.573 6.729 -1.122 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.224 7.640 1.250 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.473 7.677 1.300 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.127 5.512 2.376 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.413 3.040 2.607 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.784 5.745 -0.304 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.263 1.446 1.740 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.439 3.690 -0.561 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.154 1.593 0.433 1.00 50.00 H new ATOM 1116 N GLU A 72 8.786 9.720 -1.232 1.00 10.00 N ATOM 1117 CA GLU A 72 8.477 11.102 -1.583 1.00 10.00 C ATOM 1118 C GLU A 72 7.487 11.168 -2.740 1.00 10.00 C ATOM 1119 O GLU A 72 6.579 12.001 -2.744 1.00 50.00 O ATOM 1120 CB GLU A 72 9.757 11.862 -1.941 1.00 50.00 C ATOM 1121 CG GLU A 72 9.541 13.329 -2.280 1.00 50.00 C ATOM 1122 CD GLU A 72 10.845 14.021 -2.567 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.866 13.384 -2.475 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.814 15.155 -2.983 1.00 75.00 O ATOM 0 H GLU A 72 9.782 9.502 -1.215 1.00 10.00 H new ATOM 0 HA GLU A 72 8.017 11.573 -0.714 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.452 11.793 -1.104 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.231 11.371 -2.791 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.885 13.411 -3.146 1.00 50.00 H new ATOM 0 HG3 GLU A 72 9.038 13.826 -1.451 1.00 50.00 H new ATOM 1131 N THR A 73 7.667 10.289 -3.718 1.00 10.00 N ATOM 1132 CA THR A 73 6.739 10.185 -4.837 1.00 10.00 C ATOM 1133 C THR A 73 5.573 9.264 -4.503 1.00 10.00 C ATOM 1134 O THR A 73 4.411 9.625 -4.688 1.00 50.00 O ATOM 1135 CB THR A 73 7.440 9.669 -6.107 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.475 10.584 -6.490 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.442 9.531 -7.247 1.00 50.00 C ATOM 0 H THR A 73 8.450 9.636 -3.759 1.00 10.00 H new ATOM 0 HA THR A 73 6.361 11.190 -5.025 1.00 10.00 H new ATOM 0 HB THR A 73 7.871 8.691 -5.895 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.921 10.254 -7.297 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.954 9.165 -8.137 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.660 8.826 -6.963 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.995 10.502 -7.459 1.00 50.00 H new ATOM 1145 N VAL A 74 5.889 8.072 -4.010 1.00 10.00 N ATOM 1146 CA VAL A 74 4.911 6.995 -3.921 1.00 10.00 C ATOM 1147 C VAL A 74 3.843 7.306 -2.880 1.00 10.00 C ATOM 1148 O VAL A 74 2.647 7.195 -3.152 1.00 50.00 O ATOM 1149 CB VAL A 74 5.579 5.651 -3.571 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.526 4.591 -3.288 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.496 5.203 -4.698 1.00 50.00 C ATOM 0 H VAL A 74 6.817 7.827 -3.665 1.00 10.00 H new ATOM 0 HA VAL A 74 4.445 6.913 -4.903 1.00 10.00 H new ATOM 0 HB VAL A 74 6.180 5.788 -2.672 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.015 3.648 -3.043 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.907 4.908 -2.449 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.900 4.456 -4.170 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.959 4.252 -4.434 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.916 5.082 -5.613 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.271 5.953 -4.856 1.00 50.00 H new ATOM 1161 N LEU A 75 4.281 7.695 -1.688 1.00 10.00 N ATOM 1162 CA LEU A 75 3.419 7.676 -0.512 1.00 10.00 C ATOM 1163 C LEU A 75 2.236 8.621 -0.681 1.00 50.00 C ATOM 1164 O LEU A 75 1.093 8.254 -0.414 1.00 50.00 O ATOM 1165 CB LEU A 75 4.223 8.047 0.739 1.00 50.00 C ATOM 1166 CG LEU A 75 3.411 8.116 2.040 1.00 50.00 C ATOM 1167 CD1 LEU A 75 2.814 6.752 2.355 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.308 8.588 3.174 1.00 50.00 C ATOM 0 H LEU A 75 5.229 8.028 -1.510 1.00 10.00 H new ATOM 0 HA LEU A 75 3.027 6.665 -0.395 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.023 7.318 0.867 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.697 9.014 0.573 1.00 50.00 H new ATOM 0 HG LEU A 75 2.593 8.827 1.922 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.240 6.811 3.280 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.159 6.445 1.540 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.615 6.022 2.471 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.731 8.637 4.098 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.135 7.889 3.299 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.702 9.577 2.939 1.00 50.00 H new ATOM 1180 N PRO A 76 2.518 9.841 -1.127 1.00 50.00 N ATOM 1181 CA PRO A 76 1.472 10.814 -1.410 1.00 50.00 C ATOM 1182 C PRO A 76 0.370 10.206 -2.268 1.00 50.00 C ATOM 1183 O PRO A 76 -0.816 10.409 -2.009 1.00 50.00 O ATOM 1184 CB PRO A 76 2.201 11.952 -2.131 1.00 50.00 C ATOM 1185 CG PRO A 76 3.588 11.909 -1.584 1.00 50.00 C ATOM 1186 CD PRO A 76 3.902 10.447 -1.408 1.00 50.00 C ATOM 0 HA PRO A 76 0.967 11.162 -0.509 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.195 11.806 -3.211 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.727 12.914 -1.937 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.294 12.383 -2.265 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.653 12.442 -0.635 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.358 10.020 -2.301 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.594 10.277 -0.584 1.00 50.00 H new ATOM 1194 N LYS A 77 0.770 9.459 -3.292 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.182 8.835 -4.203 1.00 50.00 C ATOM 1196 C LYS A 77 -0.966 7.730 -3.506 1.00 50.00 C ATOM 1197 O LYS A 77 -2.178 7.608 -3.685 1.00 50.00 O ATOM 1198 CB LYS A 77 0.538 8.275 -5.430 1.00 50.00 C ATOM 1199 CG LYS A 77 1.107 9.335 -6.365 1.00 50.00 C ATOM 1200 CD LYS A 77 1.842 8.703 -7.536 1.00 50.00 C ATOM 1201 CE LYS A 77 2.424 9.762 -8.460 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.159 9.157 -9.606 1.00 50.00 N ATOM 0 H LYS A 77 1.748 9.271 -3.512 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.886 9.602 -4.526 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.350 7.629 -5.096 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.157 7.650 -5.990 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.300 9.965 -6.737 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.788 9.982 -5.812 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.642 8.063 -7.163 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.158 8.065 -8.096 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.621 10.395 -8.837 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.099 10.405 -7.895 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.540 9.912 -10.211 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.941 8.573 -9.247 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.510 8.563 -10.160 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.268 6.925 -2.712 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.908 5.875 -1.932 1.00 50.00 C ATOM 1218 C VAL A 78 -2.029 6.436 -1.066 1.00 50.00 C ATOM 1219 O VAL A 78 -3.163 5.960 -1.116 1.00 50.00 O ATOM 1220 CB VAL A 78 0.104 5.141 -1.032 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.615 4.192 -0.085 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.117 4.382 -1.876 1.00 50.00 C ATOM 0 H VAL A 78 0.743 6.981 -2.592 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.326 5.166 -2.646 1.00 50.00 H new ATOM 0 HB VAL A 78 0.637 5.884 -0.438 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.115 3.682 0.543 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.303 4.757 0.544 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.174 3.456 -0.663 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.824 3.870 -1.223 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.599 3.650 -2.495 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.655 5.082 -2.515 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.704 7.449 -0.271 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.694 8.109 0.572 1.00 50.00 C ATOM 1234 C GLU A 79 -3.856 8.644 -0.254 1.00 50.00 C ATOM 1235 O GLU A 79 -5.014 8.547 0.150 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.047 9.244 1.369 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.973 9.910 2.377 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.267 11.010 3.121 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.259 10.739 3.728 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.671 12.142 2.993 1.00 50.00 O ATOM 0 H GLU A 79 -0.762 7.831 -0.192 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.086 7.367 1.267 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.177 8.852 1.896 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.684 10.000 0.673 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.843 10.316 1.862 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.340 9.166 3.084 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.538 9.209 -1.414 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.557 9.732 -2.315 1.00 50.00 C ATOM 1249 C ALA A 80 -5.569 8.654 -2.688 1.00 50.00 C ATOM 1250 O ALA A 80 -6.771 8.913 -2.745 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.912 10.311 -3.566 1.00 50.00 C ATOM 0 H ALA A 80 -2.582 9.316 -1.752 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.090 10.528 -1.795 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.686 10.698 -4.229 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.237 11.120 -3.286 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.350 9.531 -4.080 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.073 7.448 -2.939 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.928 6.341 -3.354 1.00 50.00 C ATOM 1259 C VAL A 81 -7.027 6.081 -2.330 1.00 50.00 C ATOM 1260 O VAL A 81 -8.190 5.893 -2.688 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.117 5.049 -3.560 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.048 3.860 -3.750 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.186 5.190 -4.756 1.00 50.00 C ATOM 0 H VAL A 81 -4.084 7.211 -2.863 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.380 6.631 -4.303 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.513 4.876 -2.669 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.458 2.955 -3.894 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.677 3.746 -2.867 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.677 4.026 -4.625 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.620 4.268 -4.887 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.773 5.386 -5.653 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.497 6.017 -4.585 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.651 6.072 -1.055 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.607 5.854 0.023 1.00 50.00 C ATOM 1275 C PHE A 82 -8.430 7.107 0.291 1.00 50.00 C ATOM 1276 O PHE A 82 -9.613 7.027 0.622 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.884 5.418 1.297 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.119 4.133 1.151 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.783 2.920 1.066 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.733 4.138 1.096 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -6.080 1.737 0.932 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -4.028 2.956 0.961 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.702 1.756 0.879 1.00 50.00 C ATOM 0 H PHE A 82 -5.690 6.213 -0.744 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.287 5.061 -0.288 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.196 6.207 1.601 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.615 5.306 2.098 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.862 2.898 1.105 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.199 5.075 1.159 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.610 0.798 0.869 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.949 2.973 0.920 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.152 0.833 0.773 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.798 8.267 0.144 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.438 9.535 0.468 1.00 50.00 C ATOM 1295 C GLU A 83 -8.970 10.220 -0.784 1.00 50.00 C ATOM 1296 O GLU A 83 -8.476 11.275 -1.183 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.461 10.458 1.197 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.004 9.944 2.554 1.00 50.00 C ATOM 1299 CD GLU A 83 -8.170 9.716 3.475 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -8.777 10.677 3.883 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -8.527 8.580 3.679 1.00 75.00 O ATOM 0 H GLU A 83 -6.841 8.354 -0.198 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.282 9.323 1.125 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -6.585 10.611 0.566 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -7.931 11.432 1.331 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.453 9.013 2.425 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.318 10.661 3.004 1.00 50.00 H new