USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 22 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.9!) USER MOD Single : A 3 GLN : amide:sc= 0.148 K(o=0.15,f=-2.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 37:sc= 0.116 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= -0.0835 (180deg=-0.848) USER MOD Single : A 19 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0357) USER MOD Single : A 32 SER OG : rot 172:sc= -1.35 USER MOD Single : A 33 ASN : amide:sc= -1.58! C(o=-1.6!,f=-4.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.243 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= -0.0391 (180deg=-0.541) USER MOD Single : A 42 MET CE :methyl -150:sc= -0.365 (180deg=-1.39!) USER MOD Single : A 45 ASN : amide:sc= -4.11! C(o=-4.1!,f=-12!) USER MOD Single : A 49 TYR OH : rot -36:sc= -4.47! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0065 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 0.344 (180deg=-2.21!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.5!) USER MOD Single : A 63 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.8) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.656 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 0.727 (180deg=-0.212) USER MOD Single : A 69 THR OG1 : rot -15:sc= 0.105 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 7.238 -12.429 -4.810 1.00 0.00 N ATOM 2 CA GLN A 3 6.117 -12.065 -3.893 1.00 0.00 C ATOM 3 C GLN A 3 6.162 -12.932 -2.629 1.00 0.00 C ATOM 4 O GLN A 3 6.159 -12.420 -1.528 1.00 0.00 O ATOM 5 CB GLN A 3 4.834 -12.335 -4.684 1.00 0.00 C ATOM 6 CG GLN A 3 3.955 -11.082 -4.676 1.00 0.00 C ATOM 7 CD GLN A 3 2.515 -11.467 -5.016 1.00 0.00 C ATOM 8 OE1 GLN A 3 2.183 -12.635 -5.071 1.00 0.00 O ATOM 9 NE2 GLN A 3 1.637 -10.529 -5.248 1.00 0.00 N ATOM 0 HA GLN A 3 6.178 -11.026 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.078 -12.614 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.294 -13.174 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.993 -10.604 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.329 -10.358 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.914 -9.548 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.674 -10.777 -5.475 1.00 0.00 H new ATOM 20 N PRO A 4 6.202 -14.223 -2.831 1.00 0.00 N ATOM 21 CA PRO A 4 6.246 -15.167 -1.689 1.00 0.00 C ATOM 22 C PRO A 4 7.640 -15.174 -1.051 1.00 0.00 C ATOM 23 O PRO A 4 8.413 -16.092 -1.237 1.00 0.00 O ATOM 24 CB PRO A 4 5.930 -16.517 -2.326 1.00 0.00 C ATOM 25 CG PRO A 4 6.332 -16.377 -3.760 1.00 0.00 C ATOM 26 CD PRO A 4 6.208 -14.918 -4.124 1.00 0.00 C ATOM 0 HA PRO A 4 5.551 -14.906 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.482 -17.321 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.871 -16.757 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.355 -16.724 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.694 -16.987 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.040 -14.591 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.294 -14.724 -4.685 1.00 0.00 H new ATOM 34 N ALA A 5 7.962 -14.158 -0.298 1.00 0.00 N ATOM 35 CA ALA A 5 9.303 -14.106 0.356 1.00 0.00 C ATOM 36 C ALA A 5 10.412 -14.320 -0.678 1.00 0.00 C ATOM 37 O ALA A 5 10.195 -14.214 -1.869 1.00 0.00 O ATOM 38 CB ALA A 5 9.291 -15.246 1.375 1.00 0.00 C ATOM 0 H ALA A 5 7.355 -13.361 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 5 9.494 -13.141 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.246 -15.275 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.487 -15.084 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.132 -16.193 0.860 1.00 0.00 H new ATOM 44 N LYS A 6 11.601 -14.623 -0.229 1.00 0.00 N ATOM 45 CA LYS A 6 12.729 -14.845 -1.179 1.00 0.00 C ATOM 46 C LYS A 6 13.117 -13.532 -1.863 1.00 0.00 C ATOM 47 O LYS A 6 14.166 -12.974 -1.608 1.00 0.00 O ATOM 48 CB LYS A 6 12.202 -15.855 -2.201 1.00 0.00 C ATOM 49 CG LYS A 6 13.362 -16.704 -2.724 1.00 0.00 C ATOM 50 CD LYS A 6 13.015 -17.241 -4.114 1.00 0.00 C ATOM 51 CE LYS A 6 13.983 -18.366 -4.486 1.00 0.00 C ATOM 52 NZ LYS A 6 14.093 -18.304 -5.971 1.00 0.00 N ATOM 0 H LYS A 6 11.840 -14.726 0.757 1.00 0.00 H new ATOM 0 HA LYS A 6 13.623 -15.211 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.448 -16.494 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.718 -15.334 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.272 -16.106 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.558 -17.531 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.990 -17.611 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.074 -16.439 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.954 -18.224 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.607 -19.335 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.741 -19.047 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.155 -18.449 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.460 -17.373 -6.253 1.00 0.00 H new ATOM 66 N LYS A 7 12.284 -13.035 -2.732 1.00 0.00 N ATOM 67 CA LYS A 7 12.610 -11.758 -3.432 1.00 0.00 C ATOM 68 C LYS A 7 12.038 -10.567 -2.657 1.00 0.00 C ATOM 69 O LYS A 7 10.861 -10.514 -2.361 1.00 0.00 O ATOM 70 CB LYS A 7 11.945 -11.877 -4.804 1.00 0.00 C ATOM 71 CG LYS A 7 12.915 -11.388 -5.882 1.00 0.00 C ATOM 72 CD LYS A 7 12.126 -10.814 -7.061 1.00 0.00 C ATOM 73 CE LYS A 7 12.955 -10.951 -8.341 1.00 0.00 C ATOM 74 NZ LYS A 7 12.583 -9.771 -9.171 1.00 0.00 N ATOM 0 H LYS A 7 11.391 -13.456 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 7 13.685 -11.595 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.663 -12.912 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.029 -11.287 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.578 -10.627 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.545 -12.211 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.178 -11.341 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.889 -9.766 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.022 -10.958 -8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.731 -11.884 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.112 -9.796 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.563 -9.795 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.815 -8.898 -8.656 1.00 0.00 H new ATOM 88 N THR A 8 12.864 -9.612 -2.324 1.00 0.00 N ATOM 89 CA THR A 8 12.369 -8.426 -1.565 1.00 0.00 C ATOM 90 C THR A 8 12.579 -7.144 -2.378 1.00 0.00 C ATOM 91 O THR A 8 13.577 -6.978 -3.050 1.00 0.00 O ATOM 92 CB THR A 8 13.212 -8.401 -0.289 1.00 0.00 C ATOM 93 OG1 THR A 8 12.834 -9.488 0.545 1.00 0.00 O ATOM 94 CG2 THR A 8 12.985 -7.082 0.452 1.00 0.00 C ATOM 0 H THR A 8 13.860 -9.601 -2.544 1.00 0.00 H new ATOM 0 HA THR A 8 11.302 -8.487 -1.351 1.00 0.00 H new ATOM 0 HB THR A 8 14.267 -8.490 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.374 -9.476 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.587 -7.067 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.275 -6.250 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.931 -6.988 0.713 1.00 0.00 H new ATOM 102 N TYR A 9 11.641 -6.235 -2.318 1.00 0.00 N ATOM 103 CA TYR A 9 11.779 -4.961 -3.083 1.00 0.00 C ATOM 104 C TYR A 9 12.638 -3.962 -2.298 1.00 0.00 C ATOM 105 O TYR A 9 12.806 -4.082 -1.101 1.00 0.00 O ATOM 106 CB TYR A 9 10.355 -4.425 -3.217 1.00 0.00 C ATOM 107 CG TYR A 9 9.663 -5.058 -4.398 1.00 0.00 C ATOM 108 CD1 TYR A 9 9.779 -6.433 -4.630 1.00 0.00 C ATOM 109 CD2 TYR A 9 8.893 -4.264 -5.255 1.00 0.00 C ATOM 110 CE1 TYR A 9 9.124 -7.014 -5.724 1.00 0.00 C ATOM 111 CE2 TYR A 9 8.240 -4.843 -6.348 1.00 0.00 C ATOM 112 CZ TYR A 9 8.354 -6.218 -6.584 1.00 0.00 C ATOM 113 OH TYR A 9 7.710 -6.791 -7.661 1.00 0.00 O ATOM 0 H TYR A 9 10.784 -6.320 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 9 12.259 -5.114 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.795 -4.632 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.377 -3.342 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.372 -7.045 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.803 -3.203 -5.072 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.212 -8.075 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.648 -4.229 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 9 7.219 -6.101 -8.154 1.00 0.00 H new ATOM 123 N THR A 10 13.174 -2.971 -2.961 1.00 0.00 N ATOM 124 CA THR A 10 14.011 -1.963 -2.247 1.00 0.00 C ATOM 125 C THR A 10 13.566 -0.543 -2.615 1.00 0.00 C ATOM 126 O THR A 10 13.353 -0.230 -3.770 1.00 0.00 O ATOM 127 CB THR A 10 15.438 -2.224 -2.726 1.00 0.00 C ATOM 128 OG1 THR A 10 15.458 -2.278 -4.146 1.00 0.00 O ATOM 129 CG2 THR A 10 15.926 -3.556 -2.154 1.00 0.00 C ATOM 0 H THR A 10 13.069 -2.816 -3.964 1.00 0.00 H new ATOM 0 HA THR A 10 13.924 -2.047 -1.164 1.00 0.00 H new ATOM 0 HB THR A 10 16.092 -1.421 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.832 -1.616 -4.507 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.944 -3.746 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.909 -3.513 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.273 -4.360 -2.496 1.00 0.00 H new ATOM 137 N TRP A 11 13.426 0.320 -1.644 1.00 0.00 N ATOM 138 CA TRP A 11 12.997 1.718 -1.945 1.00 0.00 C ATOM 139 C TRP A 11 14.057 2.712 -1.467 1.00 0.00 C ATOM 140 O TRP A 11 14.667 2.535 -0.430 1.00 0.00 O ATOM 141 CB TRP A 11 11.686 1.903 -1.180 1.00 0.00 C ATOM 142 CG TRP A 11 10.584 1.240 -1.936 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.866 1.820 -2.920 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.070 -0.116 -1.797 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.938 0.911 -3.394 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.025 -0.298 -2.733 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.405 -1.193 -0.959 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.337 -1.506 -2.834 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.715 -2.411 -1.061 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.684 -2.565 -1.994 1.00 0.00 C ATOM 0 H TRP A 11 13.590 0.119 -0.658 1.00 0.00 H new ATOM 0 HA TRP A 11 12.868 1.892 -3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.769 1.473 -0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.470 2.964 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.995 2.830 -3.279 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.271 1.109 -4.140 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.197 -1.083 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.542 -1.621 -3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.982 -3.235 -0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.156 -3.505 -2.064 1.00 0.00 H new ATOM 161 N ASN A 12 14.290 3.752 -2.220 1.00 0.00 N ATOM 162 CA ASN A 12 15.321 4.751 -1.814 1.00 0.00 C ATOM 163 C ASN A 12 14.685 6.126 -1.592 1.00 0.00 C ATOM 164 O ASN A 12 15.261 6.989 -0.959 1.00 0.00 O ATOM 165 CB ASN A 12 16.300 4.799 -2.986 1.00 0.00 C ATOM 166 CG ASN A 12 17.534 5.610 -2.588 1.00 0.00 C ATOM 167 OD1 ASN A 12 18.437 5.095 -1.957 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.614 6.866 -2.933 1.00 0.00 N ATOM 0 H ASN A 12 13.812 3.954 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 12 15.809 4.479 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.592 3.788 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.821 5.249 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.434 7.415 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.857 7.299 -3.462 1.00 0.00 H new ATOM 175 N THR A 13 13.506 6.341 -2.108 1.00 0.00 N ATOM 176 CA THR A 13 12.845 7.665 -1.923 1.00 0.00 C ATOM 177 C THR A 13 11.430 7.480 -1.367 1.00 0.00 C ATOM 178 O THR A 13 10.844 6.423 -1.477 1.00 0.00 O ATOM 179 CB THR A 13 12.794 8.280 -3.321 1.00 0.00 C ATOM 180 OG1 THR A 13 11.823 7.597 -4.102 1.00 0.00 O ATOM 181 CG2 THR A 13 14.167 8.153 -3.984 1.00 0.00 C ATOM 0 H THR A 13 12.973 5.660 -2.648 1.00 0.00 H new ATOM 0 HA THR A 13 13.382 8.298 -1.217 1.00 0.00 H new ATOM 0 HB THR A 13 12.524 9.333 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.788 7.991 -4.998 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.131 8.591 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.911 8.677 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.438 7.100 -4.060 1.00 0.00 H new ATOM 189 N LYS A 14 10.879 8.502 -0.772 1.00 0.00 N ATOM 190 CA LYS A 14 9.503 8.382 -0.212 1.00 0.00 C ATOM 191 C LYS A 14 8.487 8.189 -1.342 1.00 0.00 C ATOM 192 O LYS A 14 7.472 7.543 -1.172 1.00 0.00 O ATOM 193 CB LYS A 14 9.254 9.705 0.512 1.00 0.00 C ATOM 194 CG LYS A 14 8.802 9.422 1.945 1.00 0.00 C ATOM 195 CD LYS A 14 7.352 9.876 2.122 1.00 0.00 C ATOM 196 CE LYS A 14 6.604 8.868 2.997 1.00 0.00 C ATOM 197 NZ LYS A 14 5.553 9.666 3.688 1.00 0.00 N ATOM 0 H LYS A 14 11.321 9.413 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 14 9.402 7.526 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.163 10.306 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.494 10.282 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.890 8.357 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.447 9.945 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.323 10.864 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.865 9.961 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.164 8.072 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.274 8.393 3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.996 9.044 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.002 10.411 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.926 10.101 2.981 1.00 0.00 H new ATOM 211 N GLU A 15 8.750 8.748 -2.491 1.00 0.00 N ATOM 212 CA GLU A 15 7.796 8.596 -3.628 1.00 0.00 C ATOM 213 C GLU A 15 7.720 7.134 -4.064 1.00 0.00 C ATOM 214 O GLU A 15 6.651 6.582 -4.239 1.00 0.00 O ATOM 215 CB GLU A 15 8.373 9.462 -4.751 1.00 0.00 C ATOM 216 CG GLU A 15 7.765 9.043 -6.094 1.00 0.00 C ATOM 217 CD GLU A 15 7.303 10.286 -6.856 1.00 0.00 C ATOM 218 OE1 GLU A 15 7.696 11.373 -6.470 1.00 0.00 O ATOM 219 OE2 GLU A 15 6.563 10.128 -7.813 1.00 0.00 O ATOM 0 H GLU A 15 9.582 9.302 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 15 6.784 8.899 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.161 10.513 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.457 9.356 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.501 8.495 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.923 8.370 -5.930 1.00 0.00 H new ATOM 226 N GLU A 16 8.843 6.506 -4.248 1.00 0.00 N ATOM 227 CA GLU A 16 8.835 5.081 -4.681 1.00 0.00 C ATOM 228 C GLU A 16 8.177 4.207 -3.614 1.00 0.00 C ATOM 229 O GLU A 16 7.336 3.379 -3.907 1.00 0.00 O ATOM 230 CB GLU A 16 10.307 4.707 -4.855 1.00 0.00 C ATOM 231 CG GLU A 16 10.842 5.329 -6.147 1.00 0.00 C ATOM 232 CD GLU A 16 11.033 4.235 -7.199 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.129 3.434 -7.365 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.082 4.217 -7.822 1.00 0.00 O ATOM 0 H GLU A 16 9.768 6.916 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 16 8.270 4.934 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.886 5.060 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.416 3.623 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.147 6.084 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.789 5.833 -5.955 1.00 0.00 H new ATOM 241 N ALA A 17 8.551 4.382 -2.378 1.00 0.00 N ATOM 242 CA ALA A 17 7.942 3.556 -1.295 1.00 0.00 C ATOM 243 C ALA A 17 6.430 3.787 -1.258 1.00 0.00 C ATOM 244 O ALA A 17 5.644 2.857 -1.219 1.00 0.00 O ATOM 245 CB ALA A 17 8.587 4.053 -0.002 1.00 0.00 C ATOM 0 H ALA A 17 9.249 5.058 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 17 8.106 2.489 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.188 3.491 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.666 3.910 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.367 5.112 0.130 1.00 0.00 H new ATOM 251 N LYS A 18 6.015 5.025 -1.285 1.00 0.00 N ATOM 252 CA LYS A 18 4.557 5.326 -1.265 1.00 0.00 C ATOM 253 C LYS A 18 3.921 4.820 -2.557 1.00 0.00 C ATOM 254 O LYS A 18 2.794 4.368 -2.577 1.00 0.00 O ATOM 255 CB LYS A 18 4.471 6.850 -1.188 1.00 0.00 C ATOM 256 CG LYS A 18 3.205 7.254 -0.431 1.00 0.00 C ATOM 257 CD LYS A 18 3.588 7.822 0.937 1.00 0.00 C ATOM 258 CE LYS A 18 2.440 8.683 1.473 1.00 0.00 C ATOM 259 NZ LYS A 18 2.479 9.926 0.653 1.00 0.00 N ATOM 0 H LYS A 18 6.625 5.842 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 18 4.037 4.850 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.351 7.249 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.458 7.275 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.648 7.997 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.551 6.391 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.803 7.010 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.496 8.419 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.482 8.172 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.573 8.904 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.210 10.739 1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.441 10.069 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.813 9.839 -0.141 1.00 0.00 H new ATOM 273 N GLN A 19 4.648 4.891 -3.636 1.00 0.00 N ATOM 274 CA GLN A 19 4.106 4.414 -4.936 1.00 0.00 C ATOM 275 C GLN A 19 3.962 2.890 -4.914 1.00 0.00 C ATOM 276 O GLN A 19 3.020 2.343 -5.449 1.00 0.00 O ATOM 277 CB GLN A 19 5.136 4.849 -5.976 1.00 0.00 C ATOM 278 CG GLN A 19 4.534 4.729 -7.376 1.00 0.00 C ATOM 279 CD GLN A 19 5.603 4.217 -8.340 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.762 4.739 -9.425 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.348 3.208 -7.984 1.00 0.00 N ATOM 0 H GLN A 19 5.598 5.261 -3.673 1.00 0.00 H new ATOM 0 HA GLN A 19 3.119 4.821 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.444 5.878 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.029 4.229 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.683 4.048 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.161 5.698 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.213 2.771 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.066 2.856 -8.617 1.00 0.00 H new ATOM 290 N ALA A 20 4.879 2.197 -4.289 1.00 0.00 N ATOM 291 CA ALA A 20 4.762 0.712 -4.232 1.00 0.00 C ATOM 292 C ALA A 20 3.599 0.334 -3.319 1.00 0.00 C ATOM 293 O ALA A 20 2.900 -0.629 -3.557 1.00 0.00 O ATOM 294 CB ALA A 20 6.089 0.208 -3.662 1.00 0.00 C ATOM 0 H ALA A 20 5.695 2.591 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 20 4.569 0.272 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.066 -0.880 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.906 0.514 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.242 0.630 -2.669 1.00 0.00 H new ATOM 300 N PHE A 21 3.375 1.096 -2.282 1.00 0.00 N ATOM 301 CA PHE A 21 2.239 0.788 -1.369 1.00 0.00 C ATOM 302 C PHE A 21 0.923 1.051 -2.107 1.00 0.00 C ATOM 303 O PHE A 21 0.005 0.251 -2.079 1.00 0.00 O ATOM 304 CB PHE A 21 2.403 1.748 -0.191 1.00 0.00 C ATOM 305 CG PHE A 21 1.872 1.101 1.067 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.646 0.148 1.739 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.611 1.454 1.561 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.159 -0.451 2.906 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.124 0.853 2.730 1.00 0.00 C ATOM 310 CZ PHE A 21 0.899 -0.098 3.402 1.00 0.00 C ATOM 0 H PHE A 21 3.928 1.915 -2.029 1.00 0.00 H new ATOM 0 HA PHE A 21 2.228 -0.250 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.454 2.007 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.868 2.677 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.619 -0.125 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.014 2.189 1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.756 -1.187 3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.849 1.124 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.525 -0.560 4.304 1.00 0.00 H new ATOM 320 N LYS A 22 0.836 2.158 -2.795 1.00 0.00 N ATOM 321 CA LYS A 22 -0.404 2.457 -3.561 1.00 0.00 C ATOM 322 C LYS A 22 -0.525 1.449 -4.703 1.00 0.00 C ATOM 323 O LYS A 22 -1.557 0.842 -4.907 1.00 0.00 O ATOM 324 CB LYS A 22 -0.215 3.874 -4.106 1.00 0.00 C ATOM 325 CG LYS A 22 -0.789 4.883 -3.110 1.00 0.00 C ATOM 326 CD LYS A 22 -0.881 6.260 -3.771 1.00 0.00 C ATOM 327 CE LYS A 22 0.527 6.790 -4.048 1.00 0.00 C ATOM 328 NZ LYS A 22 0.320 8.007 -4.881 1.00 0.00 N ATOM 0 H LYS A 22 1.569 2.865 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.307 2.390 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.844 4.073 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.714 3.974 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.776 4.561 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.156 4.935 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.444 6.191 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.420 6.951 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.049 7.029 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.132 6.050 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.239 8.449 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.143 7.742 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.282 8.682 -4.367 1.00 0.00 H new ATOM 342 N GLU A 23 0.542 1.248 -5.430 1.00 0.00 N ATOM 343 CA GLU A 23 0.508 0.257 -6.538 1.00 0.00 C ATOM 344 C GLU A 23 0.197 -1.119 -5.952 1.00 0.00 C ATOM 345 O GLU A 23 -0.432 -1.951 -6.578 1.00 0.00 O ATOM 346 CB GLU A 23 1.911 0.286 -7.149 1.00 0.00 C ATOM 347 CG GLU A 23 1.862 -0.285 -8.567 1.00 0.00 C ATOM 348 CD GLU A 23 1.865 0.862 -9.579 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.771 2.001 -9.154 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.961 0.581 -10.763 1.00 0.00 O ATOM 0 H GLU A 23 1.433 1.728 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.250 0.479 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.289 1.308 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.599 -0.296 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.719 -0.937 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.967 -0.894 -8.694 1.00 0.00 H new ATOM 357 N LEU A 24 0.618 -1.354 -4.737 1.00 0.00 N ATOM 358 CA LEU A 24 0.335 -2.662 -4.085 1.00 0.00 C ATOM 359 C LEU A 24 -1.176 -2.832 -3.963 1.00 0.00 C ATOM 360 O LEU A 24 -1.734 -3.843 -4.341 1.00 0.00 O ATOM 361 CB LEU A 24 0.985 -2.566 -2.702 1.00 0.00 C ATOM 362 CG LEU A 24 0.777 -3.867 -1.926 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.023 -5.069 -2.841 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.763 -3.911 -0.753 1.00 0.00 C ATOM 0 H LEU A 24 1.147 -0.693 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 24 0.721 -3.514 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.051 -2.364 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.555 -1.731 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.247 -3.907 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.872 -5.991 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.327 -5.037 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.045 -5.036 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.622 -4.836 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.783 -3.869 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.586 -3.059 -0.096 1.00 0.00 H new ATOM 376 N LEU A 25 -1.848 -1.835 -3.453 1.00 0.00 N ATOM 377 CA LEU A 25 -3.329 -1.928 -3.327 1.00 0.00 C ATOM 378 C LEU A 25 -3.948 -2.112 -4.713 1.00 0.00 C ATOM 379 O LEU A 25 -4.892 -2.857 -4.889 1.00 0.00 O ATOM 380 CB LEU A 25 -3.763 -0.593 -2.722 1.00 0.00 C ATOM 381 CG LEU A 25 -3.769 -0.698 -1.200 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.886 0.401 -0.610 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.199 -0.528 -0.690 1.00 0.00 C ATOM 0 H LEU A 25 -1.436 -0.963 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.645 -2.771 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.085 0.199 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.756 -0.325 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.385 -1.673 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.890 0.326 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.867 0.285 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.271 1.376 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.209 -0.602 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.579 0.449 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.831 -1.309 -1.113 1.00 0.00 H new ATOM 395 N LYS A 26 -3.416 -1.442 -5.701 1.00 0.00 N ATOM 396 CA LYS A 26 -3.969 -1.586 -7.077 1.00 0.00 C ATOM 397 C LYS A 26 -3.802 -3.031 -7.549 1.00 0.00 C ATOM 398 O LYS A 26 -4.713 -3.627 -8.088 1.00 0.00 O ATOM 399 CB LYS A 26 -3.143 -0.636 -7.943 1.00 0.00 C ATOM 400 CG LYS A 26 -3.930 -0.286 -9.206 1.00 0.00 C ATOM 401 CD LYS A 26 -2.985 0.321 -10.242 1.00 0.00 C ATOM 402 CE LYS A 26 -3.792 0.800 -11.451 1.00 0.00 C ATOM 403 NZ LYS A 26 -2.814 0.845 -12.572 1.00 0.00 N ATOM 0 H LYS A 26 -2.625 -0.804 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.032 -1.350 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.908 0.270 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.194 -1.102 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.405 -1.180 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.727 0.419 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.436 1.155 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.247 -0.418 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.614 0.120 -11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.230 1.781 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.293 1.165 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.046 1.506 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.419 -0.104 -12.726 1.00 0.00 H new ATOM 417 N GLU A 27 -2.649 -3.605 -7.333 1.00 0.00 N ATOM 418 CA GLU A 27 -2.439 -5.019 -7.752 1.00 0.00 C ATOM 419 C GLU A 27 -3.353 -5.919 -6.922 1.00 0.00 C ATOM 420 O GLU A 27 -3.830 -6.937 -7.381 1.00 0.00 O ATOM 421 CB GLU A 27 -0.969 -5.313 -7.450 1.00 0.00 C ATOM 422 CG GLU A 27 -0.098 -4.789 -8.593 1.00 0.00 C ATOM 423 CD GLU A 27 -0.417 -5.562 -9.874 1.00 0.00 C ATOM 424 OE1 GLU A 27 -0.387 -6.780 -9.830 1.00 0.00 O ATOM 425 OE2 GLU A 27 -0.687 -4.921 -10.876 1.00 0.00 O ATOM 0 H GLU A 27 -1.848 -3.158 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.668 -5.192 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.678 -4.841 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.820 -6.386 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.279 -3.725 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.957 -4.901 -8.341 1.00 0.00 H new ATOM 432 N LYS A 28 -3.612 -5.528 -5.706 1.00 0.00 N ATOM 433 CA LYS A 28 -4.510 -6.329 -4.833 1.00 0.00 C ATOM 434 C LYS A 28 -5.969 -6.025 -5.185 1.00 0.00 C ATOM 435 O LYS A 28 -6.886 -6.593 -4.629 1.00 0.00 O ATOM 436 CB LYS A 28 -4.189 -5.869 -3.410 1.00 0.00 C ATOM 437 CG LYS A 28 -3.098 -6.761 -2.811 1.00 0.00 C ATOM 438 CD LYS A 28 -1.753 -6.470 -3.483 1.00 0.00 C ATOM 439 CE LYS A 28 -0.877 -7.726 -3.433 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.319 -8.552 -4.592 1.00 0.00 N ATOM 0 H LYS A 28 -3.237 -4.682 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.366 -7.403 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.858 -4.830 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.086 -5.912 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.023 -6.586 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.361 -7.810 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.909 -6.163 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.253 -5.644 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.180 -7.473 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.009 -8.262 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.345 -9.554 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.268 -8.251 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.652 -8.429 -5.380 1.00 0.00 H new ATOM 454 N ARG A 29 -6.182 -5.128 -6.112 1.00 0.00 N ATOM 455 CA ARG A 29 -7.572 -4.775 -6.514 1.00 0.00 C ATOM 456 C ARG A 29 -8.386 -4.333 -5.297 1.00 0.00 C ATOM 457 O ARG A 29 -9.588 -4.501 -5.249 1.00 0.00 O ATOM 458 CB ARG A 29 -8.150 -6.056 -7.115 1.00 0.00 C ATOM 459 CG ARG A 29 -7.955 -6.038 -8.632 1.00 0.00 C ATOM 460 CD ARG A 29 -8.656 -7.248 -9.254 1.00 0.00 C ATOM 461 NE ARG A 29 -7.553 -8.140 -9.707 1.00 0.00 N ATOM 462 CZ ARG A 29 -6.739 -7.747 -10.649 1.00 0.00 C ATOM 463 NH1 ARG A 29 -5.475 -7.560 -10.383 1.00 0.00 N ATOM 464 NH2 ARG A 29 -7.188 -7.540 -11.857 1.00 0.00 N ATOM 0 H ARG A 29 -5.448 -4.623 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.596 -3.947 -7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.657 -6.928 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.210 -6.138 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.360 -5.116 -9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.892 -6.057 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.297 -7.749 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.291 -6.951 -10.088 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.433 -9.059 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.123 -7.721 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.839 -7.253 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.176 -7.685 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.551 -7.233 -12.592 1.00 0.00 H new ATOM 478 N VAL A 30 -7.744 -3.762 -4.313 1.00 0.00 N ATOM 479 CA VAL A 30 -8.492 -3.305 -3.107 1.00 0.00 C ATOM 480 C VAL A 30 -9.614 -2.350 -3.523 1.00 0.00 C ATOM 481 O VAL A 30 -9.383 -1.404 -4.249 1.00 0.00 O ATOM 482 CB VAL A 30 -7.460 -2.574 -2.247 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.160 -1.941 -1.043 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.406 -3.566 -1.754 1.00 0.00 C ATOM 0 H VAL A 30 -6.738 -3.593 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.954 -4.132 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.978 -1.798 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.426 -1.419 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.912 -1.232 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.641 -2.720 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.672 -3.042 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.887 -4.343 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.907 -4.021 -2.609 1.00 0.00 H new ATOM 494 N PRO A 31 -10.797 -2.630 -3.053 1.00 0.00 N ATOM 495 CA PRO A 31 -11.965 -1.781 -3.389 1.00 0.00 C ATOM 496 C PRO A 31 -11.862 -0.431 -2.672 1.00 0.00 C ATOM 497 O PRO A 31 -11.096 -0.266 -1.745 1.00 0.00 O ATOM 498 CB PRO A 31 -13.153 -2.584 -2.868 1.00 0.00 C ATOM 499 CG PRO A 31 -12.586 -3.448 -1.790 1.00 0.00 C ATOM 500 CD PRO A 31 -11.160 -3.746 -2.173 1.00 0.00 C ATOM 0 HA PRO A 31 -12.043 -1.557 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.934 -1.929 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.603 -3.183 -3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.629 -2.941 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.160 -4.369 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.512 -3.793 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.075 -4.704 -2.685 1.00 0.00 H new ATOM 508 N SER A 32 -12.629 0.532 -3.098 1.00 0.00 N ATOM 509 CA SER A 32 -12.579 1.870 -2.445 1.00 0.00 C ATOM 510 C SER A 32 -13.271 1.817 -1.079 1.00 0.00 C ATOM 511 O SER A 32 -13.229 2.762 -0.315 1.00 0.00 O ATOM 512 CB SER A 32 -13.327 2.803 -3.395 1.00 0.00 C ATOM 513 OG SER A 32 -12.802 2.653 -4.709 1.00 0.00 O ATOM 0 H SER A 32 -13.289 0.451 -3.871 1.00 0.00 H new ATOM 0 HA SER A 32 -11.558 2.207 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.392 2.571 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.223 3.837 -3.065 1.00 0.00 H new ATOM 0 HG SER A 32 -13.364 3.144 -5.344 1.00 0.00 H new ATOM 519 N ASN A 33 -13.912 0.722 -0.767 1.00 0.00 N ATOM 520 CA ASN A 33 -14.606 0.616 0.549 1.00 0.00 C ATOM 521 C ASN A 33 -13.947 -0.465 1.411 1.00 0.00 C ATOM 522 O ASN A 33 -14.545 -0.988 2.331 1.00 0.00 O ATOM 523 CB ASN A 33 -16.048 0.230 0.207 1.00 0.00 C ATOM 524 CG ASN A 33 -16.115 -1.254 -0.162 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.597 -1.663 -1.182 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.736 -2.083 0.631 1.00 0.00 N ATOM 0 H ASN A 33 -13.985 -0.101 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.558 1.545 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.699 0.432 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.409 0.837 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.786 -3.074 0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.171 -1.740 1.488 1.00 0.00 H new ATOM 533 N ALA A 34 -12.722 -0.806 1.119 1.00 0.00 N ATOM 534 CA ALA A 34 -12.030 -1.855 1.922 1.00 0.00 C ATOM 535 C ALA A 34 -11.587 -1.292 3.271 1.00 0.00 C ATOM 536 O ALA A 34 -11.241 -0.134 3.390 1.00 0.00 O ATOM 537 CB ALA A 34 -10.804 -2.250 1.097 1.00 0.00 C ATOM 0 H ALA A 34 -12.171 -0.405 0.361 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.684 -2.703 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.243 -3.021 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.125 -2.634 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.169 -1.377 0.948 1.00 0.00 H new ATOM 543 N SER A 35 -11.572 -2.111 4.285 1.00 0.00 N ATOM 544 CA SER A 35 -11.121 -1.632 5.619 1.00 0.00 C ATOM 545 C SER A 35 -9.606 -1.791 5.709 1.00 0.00 C ATOM 546 O SER A 35 -9.030 -2.632 5.045 1.00 0.00 O ATOM 547 CB SER A 35 -11.814 -2.543 6.630 1.00 0.00 C ATOM 548 OG SER A 35 -11.153 -3.803 6.654 1.00 0.00 O ATOM 0 H SER A 35 -11.853 -3.091 4.247 1.00 0.00 H new ATOM 0 HA SER A 35 -11.363 -0.584 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.793 -2.089 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.862 -2.674 6.361 1.00 0.00 H new ATOM 0 HG SER A 35 -11.593 -4.391 7.303 1.00 0.00 H new ATOM 554 N TRP A 36 -8.944 -1.008 6.509 1.00 0.00 N ATOM 555 CA TRP A 36 -7.468 -1.161 6.594 1.00 0.00 C ATOM 556 C TRP A 36 -7.117 -2.633 6.815 1.00 0.00 C ATOM 557 O TRP A 36 -6.099 -3.111 6.365 1.00 0.00 O ATOM 558 CB TRP A 36 -7.017 -0.327 7.791 1.00 0.00 C ATOM 559 CG TRP A 36 -5.569 -0.602 8.037 1.00 0.00 C ATOM 560 CD1 TRP A 36 -5.019 -0.887 9.240 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.481 -0.636 7.071 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.661 -1.093 9.071 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.280 -0.949 7.751 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.420 -0.427 5.681 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.062 -1.051 7.073 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.198 -0.528 4.998 1.00 0.00 C ATOM 567 CH2 TRP A 36 -2.022 -0.840 5.693 1.00 0.00 C ATOM 0 H TRP A 36 -9.351 -0.281 7.098 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.976 -0.832 5.679 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.174 0.734 7.595 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.606 -0.579 8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.552 -0.944 10.178 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.019 -1.323 9.829 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.321 -0.187 5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.158 -1.291 7.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.164 -0.364 3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.085 -0.917 5.162 1.00 0.00 H new ATOM 578 N GLU A 37 -7.955 -3.355 7.505 1.00 0.00 N ATOM 579 CA GLU A 37 -7.666 -4.797 7.754 1.00 0.00 C ATOM 580 C GLU A 37 -7.687 -5.583 6.439 1.00 0.00 C ATOM 581 O GLU A 37 -6.789 -6.351 6.150 1.00 0.00 O ATOM 582 CB GLU A 37 -8.788 -5.268 8.680 1.00 0.00 C ATOM 583 CG GLU A 37 -8.818 -4.387 9.931 1.00 0.00 C ATOM 584 CD GLU A 37 -8.295 -5.181 11.130 1.00 0.00 C ATOM 585 OE1 GLU A 37 -8.399 -6.397 11.101 1.00 0.00 O ATOM 586 OE2 GLU A 37 -7.800 -4.561 12.056 1.00 0.00 O ATOM 0 H GLU A 37 -8.827 -3.011 7.907 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.680 -4.950 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.746 -5.218 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.631 -6.310 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.207 -3.498 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.835 -4.046 10.124 1.00 0.00 H new ATOM 593 N GLN A 38 -8.704 -5.403 5.639 1.00 0.00 N ATOM 594 CA GLN A 38 -8.777 -6.150 4.348 1.00 0.00 C ATOM 595 C GLN A 38 -7.692 -5.665 3.384 1.00 0.00 C ATOM 596 O GLN A 38 -6.991 -6.450 2.771 1.00 0.00 O ATOM 597 CB GLN A 38 -10.162 -5.824 3.789 1.00 0.00 C ATOM 598 CG GLN A 38 -11.196 -6.773 4.394 1.00 0.00 C ATOM 599 CD GLN A 38 -12.599 -6.200 4.188 1.00 0.00 C ATOM 600 OE1 GLN A 38 -13.323 -5.975 5.138 1.00 0.00 O ATOM 601 NE2 GLN A 38 -13.017 -5.951 2.977 1.00 0.00 N ATOM 0 H GLN A 38 -9.485 -4.773 5.822 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.623 -7.220 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.424 -4.791 4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.158 -5.918 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.121 -7.755 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.001 -6.910 5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.410 -6.139 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.951 -5.568 2.828 1.00 0.00 H new ATOM 610 N ALA A 39 -7.545 -4.377 3.247 1.00 0.00 N ATOM 611 CA ALA A 39 -6.509 -3.843 2.321 1.00 0.00 C ATOM 612 C ALA A 39 -5.111 -4.145 2.858 1.00 0.00 C ATOM 613 O ALA A 39 -4.246 -4.599 2.138 1.00 0.00 O ATOM 614 CB ALA A 39 -6.753 -2.335 2.277 1.00 0.00 C ATOM 0 H ALA A 39 -8.097 -3.672 3.736 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.571 -4.294 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.026 -1.868 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.760 -2.140 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.647 -1.920 3.279 1.00 0.00 H new ATOM 620 N MET A 40 -4.883 -3.890 4.117 1.00 0.00 N ATOM 621 CA MET A 40 -3.536 -4.155 4.697 1.00 0.00 C ATOM 622 C MET A 40 -3.142 -5.619 4.498 1.00 0.00 C ATOM 623 O MET A 40 -2.052 -5.913 4.067 1.00 0.00 O ATOM 624 CB MET A 40 -3.667 -3.838 6.187 1.00 0.00 C ATOM 625 CG MET A 40 -2.359 -4.182 6.900 1.00 0.00 C ATOM 626 SD MET A 40 -2.487 -3.723 8.646 1.00 0.00 S ATOM 627 CE MET A 40 -2.482 -5.401 9.323 1.00 0.00 C ATOM 0 H MET A 40 -5.570 -3.510 4.768 1.00 0.00 H new ATOM 0 HA MET A 40 -2.765 -3.552 4.217 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.902 -2.783 6.326 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.490 -4.407 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.151 -5.248 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.528 -3.653 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.555 -5.355 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.332 -5.956 8.926 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.557 -5.904 9.042 1.00 0.00 H new ATOM 637 N LYS A 41 -4.011 -6.542 4.813 1.00 0.00 N ATOM 638 CA LYS A 41 -3.649 -7.979 4.638 1.00 0.00 C ATOM 639 C LYS A 41 -3.383 -8.287 3.161 1.00 0.00 C ATOM 640 O LYS A 41 -2.387 -8.904 2.811 1.00 0.00 O ATOM 641 CB LYS A 41 -4.871 -8.760 5.126 1.00 0.00 C ATOM 642 CG LYS A 41 -4.815 -8.905 6.649 1.00 0.00 C ATOM 643 CD LYS A 41 -6.226 -8.775 7.225 1.00 0.00 C ATOM 644 CE LYS A 41 -6.597 -10.063 7.965 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.679 -11.105 6.904 1.00 0.00 N ATOM 0 H LYS A 41 -4.946 -6.367 5.180 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.745 -8.241 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.785 -8.244 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.897 -9.744 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.388 -9.871 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.165 -8.140 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.275 -7.925 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.941 -8.584 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.847 -10.319 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.547 -9.958 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.374 -11.828 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.973 -10.666 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.747 -11.550 6.782 1.00 0.00 H new ATOM 659 N MET A 42 -4.261 -7.863 2.292 1.00 0.00 N ATOM 660 CA MET A 42 -4.064 -8.135 0.840 1.00 0.00 C ATOM 661 C MET A 42 -2.753 -7.519 0.349 1.00 0.00 C ATOM 662 O MET A 42 -2.119 -8.027 -0.554 1.00 0.00 O ATOM 663 CB MET A 42 -5.253 -7.472 0.144 1.00 0.00 C ATOM 664 CG MET A 42 -6.559 -8.075 0.665 1.00 0.00 C ATOM 665 SD MET A 42 -7.245 -9.197 -0.578 1.00 0.00 S ATOM 666 CE MET A 42 -7.588 -7.951 -1.845 1.00 0.00 C ATOM 0 H MET A 42 -5.105 -7.340 2.525 1.00 0.00 H new ATOM 0 HA MET A 42 -4.009 -9.204 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.240 -6.397 0.326 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.181 -7.614 -0.934 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.378 -8.613 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.274 -7.283 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.445 -8.264 -2.441 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.808 -6.997 -1.367 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.718 -7.841 -2.492 1.00 0.00 H new ATOM 676 N ILE A 43 -2.347 -6.421 0.924 1.00 0.00 N ATOM 677 CA ILE A 43 -1.085 -5.774 0.469 1.00 0.00 C ATOM 678 C ILE A 43 0.112 -6.283 1.278 1.00 0.00 C ATOM 679 O ILE A 43 1.227 -6.305 0.798 1.00 0.00 O ATOM 680 CB ILE A 43 -1.304 -4.280 0.697 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.337 -3.980 2.195 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.631 -3.860 0.066 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.294 -2.465 2.398 1.00 0.00 C ATOM 0 H ILE A 43 -2.832 -5.946 1.685 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.863 -5.999 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.486 -3.724 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.240 -4.395 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.489 -4.451 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.789 -2.794 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.606 -4.065 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.445 -4.421 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.317 -2.240 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.378 -2.065 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.156 -2.008 1.912 1.00 0.00 H new ATOM 695 N ILE A 44 -0.101 -6.708 2.492 1.00 0.00 N ATOM 696 CA ILE A 44 1.042 -7.219 3.294 1.00 0.00 C ATOM 697 C ILE A 44 1.564 -8.499 2.641 1.00 0.00 C ATOM 698 O ILE A 44 2.755 -8.729 2.561 1.00 0.00 O ATOM 699 CB ILE A 44 0.480 -7.480 4.702 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.551 -7.139 5.739 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.076 -8.949 4.859 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.880 -6.688 7.037 1.00 0.00 C ATOM 0 H ILE A 44 -1.008 -6.723 2.959 1.00 0.00 H new ATOM 0 HA ILE A 44 1.877 -6.520 3.348 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.402 -6.857 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.181 -8.009 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.201 -6.350 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.319 -9.113 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.689 -9.197 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.948 -9.585 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.644 -6.445 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.269 -5.806 6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.249 -7.491 7.418 1.00 0.00 H new ATOM 714 N ASN A 45 0.676 -9.325 2.151 1.00 0.00 N ATOM 715 CA ASN A 45 1.128 -10.578 1.481 1.00 0.00 C ATOM 716 C ASN A 45 2.203 -10.239 0.443 1.00 0.00 C ATOM 717 O ASN A 45 2.984 -11.079 0.042 1.00 0.00 O ATOM 718 CB ASN A 45 -0.119 -11.141 0.797 1.00 0.00 C ATOM 719 CG ASN A 45 -1.236 -11.317 1.828 1.00 0.00 C ATOM 720 OD1 ASN A 45 -1.080 -10.957 2.977 1.00 0.00 O ATOM 721 ND2 ASN A 45 -2.366 -11.858 1.461 1.00 0.00 N ATOM 0 H ASN A 45 -0.334 -9.187 2.186 1.00 0.00 H new ATOM 0 HA ASN A 45 1.559 -11.295 2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.446 -10.469 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.112 -12.098 0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.118 -11.978 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.497 -12.160 0.496 1.00 0.00 H new ATOM 728 N ASP A 46 2.242 -9.008 0.006 1.00 0.00 N ATOM 729 CA ASP A 46 3.257 -8.593 -1.004 1.00 0.00 C ATOM 730 C ASP A 46 4.393 -7.827 -0.319 1.00 0.00 C ATOM 731 O ASP A 46 4.167 -7.109 0.635 1.00 0.00 O ATOM 732 CB ASP A 46 2.495 -7.678 -1.961 1.00 0.00 C ATOM 733 CG ASP A 46 3.327 -7.439 -3.220 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.201 -6.590 -3.174 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.079 -8.111 -4.206 1.00 0.00 O ATOM 0 H ASP A 46 1.609 -8.267 0.308 1.00 0.00 H new ATOM 0 HA ASP A 46 3.709 -9.441 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.539 -8.129 -2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.275 -6.728 -1.473 1.00 0.00 H new ATOM 740 N PRO A 47 5.582 -8.005 -0.829 1.00 0.00 N ATOM 741 CA PRO A 47 6.765 -7.319 -0.254 1.00 0.00 C ATOM 742 C PRO A 47 6.625 -5.804 -0.418 1.00 0.00 C ATOM 743 O PRO A 47 7.325 -5.034 0.208 1.00 0.00 O ATOM 744 CB PRO A 47 7.932 -7.874 -1.073 1.00 0.00 C ATOM 745 CG PRO A 47 7.308 -8.330 -2.351 1.00 0.00 C ATOM 746 CD PRO A 47 5.938 -8.833 -1.985 1.00 0.00 C ATOM 0 HA PRO A 47 6.896 -7.490 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.690 -7.111 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.424 -8.698 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.245 -7.512 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.902 -9.117 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.230 -8.708 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.951 -9.893 -1.733 1.00 0.00 H new ATOM 754 N ARG A 48 5.711 -5.375 -1.244 1.00 0.00 N ATOM 755 CA ARG A 48 5.505 -3.917 -1.440 1.00 0.00 C ATOM 756 C ARG A 48 5.064 -3.270 -0.131 1.00 0.00 C ATOM 757 O ARG A 48 5.260 -2.091 0.085 1.00 0.00 O ATOM 758 CB ARG A 48 4.424 -3.821 -2.506 1.00 0.00 C ATOM 759 CG ARG A 48 5.049 -4.167 -3.853 1.00 0.00 C ATOM 760 CD ARG A 48 5.231 -2.891 -4.665 1.00 0.00 C ATOM 761 NE ARG A 48 3.887 -2.640 -5.242 1.00 0.00 N ATOM 762 CZ ARG A 48 3.761 -2.332 -6.505 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.520 -1.410 -7.031 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.881 -2.952 -7.242 1.00 0.00 N ATOM 0 H ARG A 48 5.096 -5.976 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 48 6.413 -3.396 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.606 -4.505 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.002 -2.816 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.011 -4.658 -3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.413 -4.868 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.558 -2.062 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.983 -3.017 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 48 3.059 -2.708 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.212 -0.930 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.421 -1.170 -8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.292 -3.677 -6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.782 -2.712 -8.228 1.00 0.00 H new ATOM 778 N TYR A 49 4.478 -4.030 0.749 1.00 0.00 N ATOM 779 CA TYR A 49 4.045 -3.448 2.047 1.00 0.00 C ATOM 780 C TYR A 49 5.267 -2.877 2.772 1.00 0.00 C ATOM 781 O TYR A 49 5.186 -1.895 3.494 1.00 0.00 O ATOM 782 CB TYR A 49 3.443 -4.620 2.822 1.00 0.00 C ATOM 783 CG TYR A 49 2.633 -4.091 3.975 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.399 -3.482 3.736 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.114 -4.212 5.283 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.641 -2.996 4.802 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.357 -3.723 6.353 1.00 0.00 C ATOM 788 CZ TYR A 49 1.120 -3.115 6.114 1.00 0.00 C ATOM 789 OH TYR A 49 0.374 -2.636 7.169 1.00 0.00 O ATOM 0 H TYR A 49 4.281 -5.023 0.627 1.00 0.00 H new ATOM 0 HA TYR A 49 3.326 -2.636 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.813 -5.220 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.235 -5.273 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.031 -3.387 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.069 -4.682 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.315 -2.528 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.727 -3.815 7.363 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.087 -1.815 6.897 1.00 0.00 H new ATOM 799 N SER A 50 6.413 -3.463 2.555 1.00 0.00 N ATOM 800 CA SER A 50 7.643 -2.946 3.213 1.00 0.00 C ATOM 801 C SER A 50 8.022 -1.608 2.585 1.00 0.00 C ATOM 802 O SER A 50 8.916 -0.925 3.043 1.00 0.00 O ATOM 803 CB SER A 50 8.717 -4.001 2.940 1.00 0.00 C ATOM 804 OG SER A 50 9.873 -3.370 2.404 1.00 0.00 O ATOM 0 H SER A 50 6.549 -4.275 1.952 1.00 0.00 H new ATOM 0 HA SER A 50 7.515 -2.780 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.970 -4.526 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.340 -4.748 2.241 1.00 0.00 H new ATOM 0 HG SER A 50 10.563 -4.044 2.230 1.00 0.00 H new ATOM 810 N ALA A 51 7.325 -1.212 1.553 1.00 0.00 N ATOM 811 CA ALA A 51 7.623 0.096 0.920 1.00 0.00 C ATOM 812 C ALA A 51 7.394 1.196 1.953 1.00 0.00 C ATOM 813 O ALA A 51 7.928 2.282 1.853 1.00 0.00 O ATOM 814 CB ALA A 51 6.624 0.217 -0.233 1.00 0.00 C ATOM 0 H ALA A 51 6.564 -1.740 1.125 1.00 0.00 H new ATOM 0 HA ALA A 51 8.649 0.180 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.781 1.162 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.770 -0.609 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.608 0.184 0.161 1.00 0.00 H new ATOM 820 N LEU A 52 6.611 0.909 2.962 1.00 0.00 N ATOM 821 CA LEU A 52 6.360 1.930 4.020 1.00 0.00 C ATOM 822 C LEU A 52 6.711 1.340 5.389 1.00 0.00 C ATOM 823 O LEU A 52 6.191 0.317 5.787 1.00 0.00 O ATOM 824 CB LEU A 52 4.870 2.259 3.926 1.00 0.00 C ATOM 825 CG LEU A 52 4.605 3.091 2.666 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.194 3.671 2.726 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.612 4.241 2.580 1.00 0.00 C ATOM 0 H LEU A 52 6.137 0.016 3.097 1.00 0.00 H new ATOM 0 HA LEU A 52 6.966 2.827 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.286 1.339 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.552 2.810 4.811 1.00 0.00 H new ATOM 0 HG LEU A 52 4.707 2.451 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.005 4.263 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.469 2.859 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.099 4.306 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.418 4.828 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.513 4.878 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.623 3.837 2.537 1.00 0.00 H new ATOM 839 N ALA A 53 7.608 1.966 6.098 1.00 0.00 N ATOM 840 CA ALA A 53 8.019 1.431 7.430 1.00 0.00 C ATOM 841 C ALA A 53 6.975 1.744 8.508 1.00 0.00 C ATOM 842 O ALA A 53 6.842 1.022 9.476 1.00 0.00 O ATOM 843 CB ALA A 53 9.336 2.142 7.744 1.00 0.00 C ATOM 0 H ALA A 53 8.076 2.827 5.814 1.00 0.00 H new ATOM 0 HA ALA A 53 8.119 0.346 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.710 1.805 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.068 1.909 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.170 3.219 7.774 1.00 0.00 H new ATOM 849 N LYS A 54 6.249 2.818 8.367 1.00 0.00 N ATOM 850 CA LYS A 54 5.239 3.162 9.411 1.00 0.00 C ATOM 851 C LYS A 54 3.817 2.840 8.938 1.00 0.00 C ATOM 852 O LYS A 54 3.464 3.035 7.791 1.00 0.00 O ATOM 853 CB LYS A 54 5.406 4.665 9.637 1.00 0.00 C ATOM 854 CG LYS A 54 6.446 4.896 10.734 1.00 0.00 C ATOM 855 CD LYS A 54 6.778 6.386 10.822 1.00 0.00 C ATOM 856 CE LYS A 54 8.281 6.585 10.609 1.00 0.00 C ATOM 857 NZ LYS A 54 8.412 7.046 9.199 1.00 0.00 N ATOM 0 H LYS A 54 6.309 3.468 7.583 1.00 0.00 H new ATOM 0 HA LYS A 54 5.390 2.586 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.720 5.151 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.453 5.110 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.064 4.541 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.349 4.324 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.216 6.940 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.482 6.779 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.684 7.321 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.829 5.657 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.416 7.204 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.026 6.322 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.886 7.934 9.074 1.00 0.00 H new ATOM 871 N LEU A 55 2.994 2.352 9.821 1.00 0.00 N ATOM 872 CA LEU A 55 1.598 2.027 9.427 1.00 0.00 C ATOM 873 C LEU A 55 0.814 3.316 9.174 1.00 0.00 C ATOM 874 O LEU A 55 -0.081 3.356 8.354 1.00 0.00 O ATOM 875 CB LEU A 55 1.010 1.251 10.604 1.00 0.00 C ATOM 876 CG LEU A 55 0.137 0.117 10.066 1.00 0.00 C ATOM 877 CD1 LEU A 55 -1.013 0.708 9.248 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.981 -0.794 9.168 1.00 0.00 C ATOM 0 H LEU A 55 3.227 2.165 10.796 1.00 0.00 H new ATOM 0 HA LEU A 55 1.554 1.443 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.809 0.848 11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.419 1.915 11.235 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.264 -0.461 10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.637 -0.098 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.613 1.360 9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.609 1.283 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.360 -1.603 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.380 -0.215 8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.805 -1.212 9.746 1.00 0.00 H new ATOM 890 N SER A 56 1.145 4.375 9.865 1.00 0.00 N ATOM 891 CA SER A 56 0.414 5.655 9.646 1.00 0.00 C ATOM 892 C SER A 56 0.536 6.061 8.177 1.00 0.00 C ATOM 893 O SER A 56 -0.433 6.428 7.541 1.00 0.00 O ATOM 894 CB SER A 56 1.110 6.673 10.547 1.00 0.00 C ATOM 895 OG SER A 56 0.543 6.611 11.849 1.00 0.00 O ATOM 0 H SER A 56 1.885 4.408 10.566 1.00 0.00 H new ATOM 0 HA SER A 56 -0.648 5.579 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.179 6.465 10.593 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.998 7.676 10.136 1.00 0.00 H new ATOM 0 HG SER A 56 0.988 7.262 12.431 1.00 0.00 H new ATOM 901 N GLU A 57 1.716 5.965 7.622 1.00 0.00 N ATOM 902 CA GLU A 57 1.883 6.313 6.183 1.00 0.00 C ATOM 903 C GLU A 57 1.213 5.226 5.343 1.00 0.00 C ATOM 904 O GLU A 57 0.610 5.496 4.324 1.00 0.00 O ATOM 905 CB GLU A 57 3.394 6.362 5.930 1.00 0.00 C ATOM 906 CG GLU A 57 4.040 5.050 6.367 1.00 0.00 C ATOM 907 CD GLU A 57 5.472 4.983 5.837 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.919 5.964 5.267 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.100 3.950 6.011 1.00 0.00 O ATOM 0 H GLU A 57 2.565 5.663 8.100 1.00 0.00 H new ATOM 0 HA GLU A 57 1.428 7.268 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.588 6.538 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.836 7.194 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.040 4.977 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.462 4.205 5.991 1.00 0.00 H new ATOM 916 N LYS A 58 1.292 3.997 5.785 1.00 0.00 N ATOM 917 CA LYS A 58 0.635 2.893 5.029 1.00 0.00 C ATOM 918 C LYS A 58 -0.869 3.168 4.931 1.00 0.00 C ATOM 919 O LYS A 58 -1.485 2.970 3.903 1.00 0.00 O ATOM 920 CB LYS A 58 0.885 1.635 5.861 1.00 0.00 C ATOM 921 CG LYS A 58 2.321 1.148 5.661 1.00 0.00 C ATOM 922 CD LYS A 58 2.472 -0.239 6.291 1.00 0.00 C ATOM 923 CE LYS A 58 3.704 -0.940 5.717 1.00 0.00 C ATOM 924 NZ LYS A 58 4.606 -1.147 6.883 1.00 0.00 N ATOM 0 H LYS A 58 1.781 3.713 6.634 1.00 0.00 H new ATOM 0 HA LYS A 58 1.023 2.793 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.708 1.846 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.184 0.853 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.559 1.106 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.022 1.847 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.566 -0.148 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.580 -0.835 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.437 -1.888 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.183 -0.331 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.494 -0.627 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.143 -0.797 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.812 -2.161 6.987 1.00 0.00 H new ATOM 938 N LYS A 59 -1.463 3.626 6.002 1.00 0.00 N ATOM 939 CA LYS A 59 -2.927 3.919 5.986 1.00 0.00 C ATOM 940 C LYS A 59 -3.210 5.130 5.098 1.00 0.00 C ATOM 941 O LYS A 59 -4.142 5.132 4.318 1.00 0.00 O ATOM 942 CB LYS A 59 -3.283 4.231 7.441 1.00 0.00 C ATOM 943 CG LYS A 59 -2.901 3.045 8.328 1.00 0.00 C ATOM 944 CD LYS A 59 -4.147 2.527 9.049 1.00 0.00 C ATOM 945 CE LYS A 59 -3.873 2.449 10.553 1.00 0.00 C ATOM 946 NZ LYS A 59 -5.157 2.836 11.201 1.00 0.00 N ATOM 0 H LYS A 59 -0.996 3.810 6.890 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.511 3.088 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.758 5.128 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.350 4.435 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.461 2.252 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.147 3.348 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.992 3.188 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.418 1.543 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.570 1.444 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.066 3.123 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.047 2.806 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.417 3.800 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.905 2.173 10.913 1.00 0.00 H new ATOM 960 N GLN A 60 -2.414 6.159 5.202 1.00 0.00 N ATOM 961 CA GLN A 60 -2.648 7.360 4.351 1.00 0.00 C ATOM 962 C GLN A 60 -2.534 6.965 2.878 1.00 0.00 C ATOM 963 O GLN A 60 -3.255 7.458 2.034 1.00 0.00 O ATOM 964 CB GLN A 60 -1.547 8.350 4.735 1.00 0.00 C ATOM 965 CG GLN A 60 -1.953 9.096 6.008 1.00 0.00 C ATOM 966 CD GLN A 60 -2.093 10.589 5.704 1.00 0.00 C ATOM 967 OE1 GLN A 60 -2.057 10.995 4.560 1.00 0.00 O ATOM 968 NE2 GLN A 60 -2.253 11.431 6.690 1.00 0.00 N ATOM 0 H GLN A 60 -1.617 6.220 5.835 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.637 7.794 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.607 7.821 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.381 9.058 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.896 8.702 6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.206 8.941 6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.283 11.091 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.348 12.428 6.499 1.00 0.00 H new ATOM 977 N ALA A 61 -1.642 6.063 2.568 1.00 0.00 N ATOM 978 CA ALA A 61 -1.496 5.620 1.154 1.00 0.00 C ATOM 979 C ALA A 61 -2.698 4.758 0.767 1.00 0.00 C ATOM 980 O ALA A 61 -3.193 4.823 -0.340 1.00 0.00 O ATOM 981 CB ALA A 61 -0.209 4.793 1.125 1.00 0.00 C ATOM 0 H ALA A 61 -1.010 5.615 3.232 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.451 6.454 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.033 4.430 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.630 5.414 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.306 3.945 1.803 1.00 0.00 H new ATOM 987 N PHE A 62 -3.179 3.958 1.681 1.00 0.00 N ATOM 988 CA PHE A 62 -4.359 3.102 1.373 1.00 0.00 C ATOM 989 C PHE A 62 -5.598 3.986 1.206 1.00 0.00 C ATOM 990 O PHE A 62 -6.372 3.826 0.282 1.00 0.00 O ATOM 991 CB PHE A 62 -4.511 2.185 2.586 1.00 0.00 C ATOM 992 CG PHE A 62 -5.871 1.531 2.554 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.466 1.213 1.327 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.538 1.245 3.750 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.723 0.608 1.295 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.800 0.639 3.718 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.392 0.320 2.491 1.00 0.00 C ATOM 0 H PHE A 62 -2.806 3.861 2.625 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.238 2.532 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.730 1.425 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.393 2.758 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.951 1.436 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.080 1.491 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.180 0.362 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.316 0.418 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.365 -0.148 2.466 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.779 4.935 2.085 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.952 5.842 1.960 1.00 0.00 C ATOM 1009 C ASN A 63 -6.830 6.627 0.657 1.00 0.00 C ATOM 1010 O ASN A 63 -7.790 6.822 -0.063 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.866 6.772 3.171 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.814 6.275 4.264 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.940 5.909 3.988 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.403 6.244 5.502 1.00 0.00 N ATOM 0 H ASN A 63 -5.167 5.119 2.880 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.905 5.313 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.844 6.802 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.129 7.789 2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.026 5.913 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.458 6.551 5.734 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.641 7.053 0.336 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.433 7.798 -0.934 1.00 0.00 C ATOM 1023 C ALA A 64 -5.684 6.850 -2.106 1.00 0.00 C ATOM 1024 O ALA A 64 -6.180 7.240 -3.145 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.970 8.244 -0.900 1.00 0.00 C ATOM 0 H ALA A 64 -4.803 6.916 0.901 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.103 8.650 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.739 8.802 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.803 8.880 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.324 7.368 -0.838 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.351 5.597 -1.936 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.574 4.607 -3.026 1.00 0.00 C ATOM 1033 C TYR A 65 -7.069 4.509 -3.333 1.00 0.00 C ATOM 1034 O TYR A 65 -7.480 4.498 -4.477 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.046 3.286 -2.456 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.655 2.121 -3.201 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.029 1.630 -4.351 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.842 1.530 -2.739 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.585 0.548 -5.043 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.398 0.448 -3.433 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.768 -0.043 -4.584 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.316 -1.111 -5.267 1.00 0.00 O ATOM 0 H TYR A 65 -4.933 5.218 -1.086 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.076 4.876 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.960 3.253 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.287 3.216 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.116 2.086 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.325 1.909 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.101 0.169 -5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.312 -0.008 -3.081 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.288 -1.114 -5.144 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.886 4.449 -2.319 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.354 4.365 -2.553 1.00 0.00 C ATOM 1054 C LYS A 66 -9.879 5.710 -3.064 1.00 0.00 C ATOM 1055 O LYS A 66 -10.833 5.773 -3.812 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.955 4.041 -1.187 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.457 2.674 -0.714 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.268 2.237 0.507 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.140 3.291 1.610 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.462 3.978 1.640 1.00 0.00 N ATOM 0 H LYS A 66 -7.601 4.454 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.613 3.614 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.677 4.809 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.043 4.041 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.558 1.940 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.398 2.727 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.315 2.107 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.911 1.273 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.912 2.831 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.335 3.993 1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.336 4.983 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.098 3.538 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.876 3.893 2.590 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.261 6.785 -2.659 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.721 8.130 -3.111 1.00 0.00 C ATOM 1076 C VAL A 67 -9.333 8.361 -4.574 1.00 0.00 C ATOM 1077 O VAL A 67 -10.005 9.066 -5.300 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.998 9.121 -2.199 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.343 10.551 -2.616 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.440 8.892 -0.751 1.00 0.00 C ATOM 0 H VAL A 67 -8.456 6.791 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.804 8.237 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.922 8.971 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.826 11.255 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.030 10.715 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.419 10.704 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.926 9.597 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.517 9.042 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.192 7.874 -0.452 1.00 0.00 H new ATOM 1090 N GLN A 68 -8.255 7.772 -5.010 1.00 0.00 N ATOM 1091 CA GLN A 68 -7.826 7.956 -6.426 1.00 0.00 C ATOM 1092 C GLN A 68 -8.901 7.415 -7.373 1.00 0.00 C ATOM 1093 O GLN A 68 -8.995 7.815 -8.516 1.00 0.00 O ATOM 1094 CB GLN A 68 -6.534 7.149 -6.558 1.00 0.00 C ATOM 1095 CG GLN A 68 -5.373 8.093 -6.883 1.00 0.00 C ATOM 1096 CD GLN A 68 -4.071 7.511 -6.327 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -4.040 6.381 -5.882 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -2.989 8.241 -6.333 1.00 0.00 N ATOM 0 H GLN A 68 -7.652 7.171 -4.448 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.675 9.005 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.332 6.612 -5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.639 6.401 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.292 8.229 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.558 9.076 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.016 9.190 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.117 7.863 -5.964 1.00 0.00 H new ATOM 1107 N THR A 69 -9.717 6.512 -6.901 1.00 0.00 N ATOM 1108 CA THR A 69 -10.792 5.950 -7.769 1.00 0.00 C ATOM 1109 C THR A 69 -12.142 6.554 -7.379 1.00 0.00 C ATOM 1110 O THR A 69 -13.133 6.382 -8.062 1.00 0.00 O ATOM 1111 CB THR A 69 -10.780 4.444 -7.499 1.00 0.00 C ATOM 1112 OG1 THR A 69 -11.914 3.845 -8.112 1.00 0.00 O ATOM 1113 CG2 THR A 69 -10.823 4.189 -5.991 1.00 0.00 C ATOM 0 H THR A 69 -9.686 6.139 -5.952 1.00 0.00 H new ATOM 0 HA THR A 69 -10.632 6.171 -8.824 1.00 0.00 H new ATOM 0 HB THR A 69 -9.869 4.011 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.561 4.540 -8.354 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.814 3.115 -5.803 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.953 4.647 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.732 4.623 -5.574 1.00 0.00 H new ATOM 1121 N GLU A 70 -12.187 7.260 -6.282 1.00 0.00 N ATOM 1122 CA GLU A 70 -13.470 7.878 -5.841 1.00 0.00 C ATOM 1123 C GLU A 70 -13.356 9.405 -5.857 1.00 0.00 C ATOM 1124 O GLU A 70 -12.530 9.968 -6.547 1.00 0.00 O ATOM 1125 CB GLU A 70 -13.681 7.371 -4.414 1.00 0.00 C ATOM 1126 CG GLU A 70 -13.831 5.849 -4.430 1.00 0.00 C ATOM 1127 CD GLU A 70 -14.977 5.441 -3.503 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -15.326 6.232 -2.643 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -15.486 4.345 -3.669 1.00 0.00 O ATOM 0 H GLU A 70 -11.389 7.436 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.302 7.616 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.837 7.657 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.570 7.830 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.029 5.503 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.903 5.378 -4.108 1.00 0.00 H new ATOM 1136 N LYS A 71 -14.178 10.078 -5.100 1.00 0.00 N ATOM 1137 CA LYS A 71 -14.113 11.568 -5.072 1.00 0.00 C ATOM 1138 C LYS A 71 -12.671 12.029 -4.841 1.00 0.00 C ATOM 1139 O LYS A 71 -12.221 11.956 -3.710 1.00 0.00 O ATOM 1140 CB LYS A 71 -15.002 11.982 -3.899 1.00 0.00 C ATOM 1141 CG LYS A 71 -16.393 11.369 -4.066 1.00 0.00 C ATOM 1142 CD LYS A 71 -16.648 10.363 -2.941 1.00 0.00 C ATOM 1143 CE LYS A 71 -16.943 11.114 -1.640 1.00 0.00 C ATOM 1144 NZ LYS A 71 -17.983 10.299 -0.953 1.00 0.00 N ATOM 1145 OXT LYS A 71 -12.043 12.446 -5.800 1.00 0.00 O ATOM 0 H LYS A 71 -14.891 9.662 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.443 12.014 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.559 11.652 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.076 13.068 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.151 12.152 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.470 10.875 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.488 9.718 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.779 9.718 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.047 11.209 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.301 12.124 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.238 10.750 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.827 10.232 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.612 9.345 -0.770 1.00 0.00 H new TER 1159 LYS A 71