USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 55 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-5.2!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 153:sc= -0.0543 (180deg=-0.502) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -164:sc= 0 (180deg=-0.132) USER MOD Single : A 14 ASN : amide:sc=-0.00147 X(o=-0.0015,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.335 F(o=-1.7,f=-0.33) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc=-0.000973 (180deg=-0.0204) USER MOD Single : A 20 SER OG : rot 176:sc= -1.02 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.91! C(o=-4.7!,f=-3.9!) USER MOD Single : A 30 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.4!) USER MOD Single : A 31 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -145:sc=-0.00347 (180deg=-0.261) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.48) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.74) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= 0.447 (180deg=-0.29) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0562 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7) USER MOD Single : A 64 GLN : amide:sc= 0.815 K(o=0.81,f=-0.5) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -4.09! C(o=-5.2!,f=-4.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 86 TYR OH : rot 180:sc=-0.00798 USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0161) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.556 -4.259 -7.533 1.00 0.00 N ATOM 60 CA GLY A 7 -11.988 -5.507 -7.053 1.00 0.00 C ATOM 61 C GLY A 7 -10.687 -5.258 -6.286 1.00 0.00 C ATOM 62 O GLY A 7 -10.715 -4.901 -5.109 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.705 -6.012 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.796 -6.171 -7.896 1.00 0.00 H new ATOM 66 N PRO A 8 -9.550 -5.462 -7.003 1.00 0.00 N ATOM 67 CA PRO A 8 -8.241 -5.264 -6.402 1.00 0.00 C ATOM 68 C PRO A 8 -7.925 -3.774 -6.258 1.00 0.00 C ATOM 69 O PRO A 8 -8.262 -2.976 -7.131 1.00 0.00 O ATOM 70 CB PRO A 8 -7.273 -5.991 -7.321 1.00 0.00 C ATOM 71 CG PRO A 8 -8.006 -6.172 -8.640 1.00 0.00 C ATOM 72 CD PRO A 8 -9.479 -5.885 -8.398 1.00 0.00 C ATOM 0 HA PRO A 8 -8.179 -5.659 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.358 -5.415 -7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.983 -6.954 -6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.605 -5.497 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.871 -7.186 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.846 -5.107 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.089 -6.771 -8.575 1.00 0.00 H new ATOM 80 N LYS A 9 -7.280 -3.444 -5.148 1.00 0.00 N ATOM 81 CA LYS A 9 -6.914 -2.064 -4.878 1.00 0.00 C ATOM 82 C LYS A 9 -5.394 -1.915 -4.979 1.00 0.00 C ATOM 83 O LYS A 9 -4.652 -2.824 -4.612 1.00 0.00 O ATOM 84 CB LYS A 9 -7.488 -1.611 -3.534 1.00 0.00 C ATOM 85 CG LYS A 9 -6.642 -2.134 -2.372 1.00 0.00 C ATOM 86 CD LYS A 9 -7.069 -3.548 -1.976 1.00 0.00 C ATOM 87 CE LYS A 9 -7.649 -3.570 -0.560 1.00 0.00 C ATOM 88 NZ LYS A 9 -9.119 -3.732 -0.605 1.00 0.00 N ATOM 0 H LYS A 9 -7.002 -4.108 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.350 -1.401 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.526 -0.522 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.512 -1.969 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.589 -2.134 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.742 -1.467 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.812 -3.919 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.212 -4.220 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.204 -4.387 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.395 -2.645 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.497 -3.745 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.540 -2.939 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.355 -4.626 -1.081 1.00 0.00 H new ATOM 102 N LYS A 10 -4.977 -0.761 -5.479 1.00 0.00 N ATOM 103 CA LYS A 10 -3.560 -0.481 -5.633 1.00 0.00 C ATOM 104 C LYS A 10 -2.868 -0.610 -4.274 1.00 0.00 C ATOM 105 O LYS A 10 -3.068 0.221 -3.390 1.00 0.00 O ATOM 106 CB LYS A 10 -3.352 0.879 -6.302 1.00 0.00 C ATOM 107 CG LYS A 10 -2.078 0.884 -7.150 1.00 0.00 C ATOM 108 CD LYS A 10 -2.403 0.650 -8.627 1.00 0.00 C ATOM 109 CE LYS A 10 -3.435 1.662 -9.129 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.941 2.347 -10.344 1.00 0.00 N ATOM 0 H LYS A 10 -5.596 -0.009 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.098 -1.211 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.212 1.115 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.290 1.657 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.563 1.838 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.398 0.109 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.492 0.730 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.785 -0.362 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.375 1.154 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.643 2.395 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.654 3.030 -10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.056 2.848 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.766 1.645 -11.091 1.00 0.00 H new ATOM 124 N PRO A 11 -2.047 -1.687 -4.148 1.00 0.00 N ATOM 125 CA PRO A 11 -1.324 -1.936 -2.912 1.00 0.00 C ATOM 126 C PRO A 11 -0.144 -0.975 -2.763 1.00 0.00 C ATOM 127 O PRO A 11 0.167 -0.221 -3.684 1.00 0.00 O ATOM 128 CB PRO A 11 -0.898 -3.393 -2.992 1.00 0.00 C ATOM 129 CG PRO A 11 -0.990 -3.774 -4.461 1.00 0.00 C ATOM 130 CD PRO A 11 -1.785 -2.692 -5.174 1.00 0.00 C ATOM 0 HA PRO A 11 -1.934 -1.761 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.117 -3.524 -2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.546 -4.024 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.006 -3.865 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.477 -4.743 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.222 -2.270 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.713 -3.089 -5.586 1.00 0.00 H new ATOM 138 N PRO A 12 0.499 -1.033 -1.566 1.00 0.00 N ATOM 139 CA PRO A 12 1.638 -0.177 -1.285 1.00 0.00 C ATOM 140 C PRO A 12 2.888 -0.669 -2.019 1.00 0.00 C ATOM 141 O PRO A 12 2.929 -1.805 -2.489 1.00 0.00 O ATOM 142 CB PRO A 12 1.788 -0.204 0.227 1.00 0.00 C ATOM 143 CG PRO A 12 1.027 -1.433 0.699 1.00 0.00 C ATOM 144 CD PRO A 12 0.158 -1.913 -0.452 1.00 0.00 C ATOM 0 HA PRO A 12 1.494 0.844 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.838 -0.260 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.383 0.703 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.720 -2.216 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.413 -1.192 1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.362 -2.956 -0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.901 -1.845 -0.204 1.00 0.00 H new ATOM 152 N MET A 13 3.876 0.211 -2.094 1.00 0.00 N ATOM 153 CA MET A 13 5.123 -0.120 -2.762 1.00 0.00 C ATOM 154 C MET A 13 6.230 -0.407 -1.746 1.00 0.00 C ATOM 155 O MET A 13 6.720 -1.532 -1.658 1.00 0.00 O ATOM 156 CB MET A 13 5.545 1.044 -3.662 1.00 0.00 C ATOM 157 CG MET A 13 4.777 1.020 -4.985 1.00 0.00 C ATOM 158 SD MET A 13 5.919 0.919 -6.352 1.00 0.00 S ATOM 159 CE MET A 13 6.679 2.531 -6.241 1.00 0.00 C ATOM 0 H MET A 13 3.838 1.152 -1.703 1.00 0.00 H new ATOM 0 HA MET A 13 4.965 -1.016 -3.362 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.364 1.989 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.616 0.987 -3.858 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.097 0.168 -5.005 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.166 1.918 -5.077 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.204 2.751 -7.171 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.910 3.285 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.388 2.543 -5.413 1.00 0.00 H new ATOM 169 N ASN A 14 6.593 0.629 -1.005 1.00 0.00 N ATOM 170 CA ASN A 14 7.633 0.503 0.002 1.00 0.00 C ATOM 171 C ASN A 14 7.004 0.065 1.326 1.00 0.00 C ATOM 172 O ASN A 14 5.782 -0.019 1.440 1.00 0.00 O ATOM 173 CB ASN A 14 8.342 1.839 0.233 1.00 0.00 C ATOM 174 CG ASN A 14 8.954 2.366 -1.066 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.754 1.713 -1.716 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.535 3.582 -1.407 1.00 0.00 N ATOM 0 H ASN A 14 6.185 1.561 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 14 8.357 -0.232 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.633 2.567 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.123 1.716 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.885 4.022 -2.258 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.863 4.074 -0.818 1.00 0.00 H new ATOM 183 N GLY A 15 7.868 -0.200 2.295 1.00 0.00 N ATOM 184 CA GLY A 15 7.413 -0.626 3.608 1.00 0.00 C ATOM 185 C GLY A 15 6.672 0.504 4.325 1.00 0.00 C ATOM 186 O GLY A 15 5.758 0.253 5.108 1.00 0.00 O ATOM 0 H GLY A 15 8.881 -0.128 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.756 -1.490 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.266 -0.944 4.207 1.00 0.00 H new ATOM 190 N TYR A 16 7.095 1.725 4.031 1.00 0.00 N ATOM 191 CA TYR A 16 6.483 2.895 4.638 1.00 0.00 C ATOM 192 C TYR A 16 5.007 3.005 4.251 1.00 0.00 C ATOM 193 O TYR A 16 4.127 2.859 5.098 1.00 0.00 O ATOM 194 CB TYR A 16 7.237 4.103 4.078 1.00 0.00 C ATOM 195 CG TYR A 16 6.687 5.451 4.548 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.456 5.673 5.890 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.422 6.447 3.629 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.938 6.942 6.332 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.905 7.716 4.071 1.00 0.00 C ATOM 200 CZ TYR A 16 5.688 7.901 5.400 1.00 0.00 C ATOM 201 OH TYR A 16 5.200 9.099 5.818 1.00 0.00 O ATOM 0 H TYR A 16 7.854 1.929 3.381 1.00 0.00 H new ATOM 0 HA TYR A 16 6.536 2.836 5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.286 4.029 4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.202 4.067 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.664 4.895 6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.603 6.274 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.752 7.128 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.694 8.503 3.362 1.00 0.00 H new ATOM 0 HH TYR A 16 5.070 9.687 5.045 1.00 0.00 H new ATOM 211 N GLN A 17 4.782 3.262 2.971 1.00 0.00 N ATOM 212 CA GLN A 17 3.427 3.393 2.462 1.00 0.00 C ATOM 213 C GLN A 17 2.529 2.306 3.055 1.00 0.00 C ATOM 214 O GLN A 17 1.327 2.508 3.216 1.00 0.00 O ATOM 215 CB GLN A 17 3.410 3.345 0.933 1.00 0.00 C ATOM 216 CG GLN A 17 3.932 4.654 0.337 1.00 0.00 C ATOM 217 CD GLN A 17 3.774 4.666 -1.185 1.00 0.00 C ATOM 218 OE1 GLN A 17 4.227 3.568 -1.784 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.275 5.609 -1.776 1.00 0.00 N flip ATOM 0 H GLN A 17 5.514 3.383 2.271 1.00 0.00 H new ATOM 0 HA GLN A 17 3.037 4.364 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.022 2.513 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.394 3.161 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.390 5.496 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.982 4.783 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.947 6.422 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.185 5.585 -2.792 1.00 0.00 H new ATOM 228 N LYS A 18 3.148 1.175 3.364 1.00 0.00 N ATOM 229 CA LYS A 18 2.420 0.056 3.935 1.00 0.00 C ATOM 230 C LYS A 18 2.009 0.398 5.369 1.00 0.00 C ATOM 231 O LYS A 18 0.821 0.457 5.681 1.00 0.00 O ATOM 232 CB LYS A 18 3.239 -1.231 3.821 1.00 0.00 C ATOM 233 CG LYS A 18 2.561 -2.382 4.568 1.00 0.00 C ATOM 234 CD LYS A 18 1.911 -3.362 3.590 1.00 0.00 C ATOM 235 CE LYS A 18 1.039 -4.378 4.331 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.390 -4.169 4.007 1.00 0.00 N ATOM 0 H LYS A 18 4.146 1.011 3.229 1.00 0.00 H new ATOM 0 HA LYS A 18 1.503 -0.126 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.361 -1.496 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.237 -1.068 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.295 -2.906 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.806 -1.985 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.304 -2.814 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.683 -3.884 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.336 -5.390 4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.192 -4.282 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.978 -4.519 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.569 -3.154 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.628 -4.686 3.137 1.00 0.00 H new ATOM 250 N PHE A 19 3.016 0.615 6.202 1.00 0.00 N ATOM 251 CA PHE A 19 2.775 0.950 7.596 1.00 0.00 C ATOM 252 C PHE A 19 1.811 2.132 7.716 1.00 0.00 C ATOM 253 O PHE A 19 0.891 2.107 8.532 1.00 0.00 O ATOM 254 CB PHE A 19 4.124 1.344 8.201 1.00 0.00 C ATOM 255 CG PHE A 19 4.015 2.263 9.419 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.604 1.761 10.615 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.330 3.581 9.307 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.503 2.614 11.745 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.229 4.434 10.438 1.00 0.00 C ATOM 260 CZ PHE A 19 3.817 3.932 11.633 1.00 0.00 C ATOM 0 H PHE A 19 4.000 0.566 5.939 1.00 0.00 H new ATOM 0 HA PHE A 19 2.331 0.099 8.112 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.660 0.439 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.722 1.840 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.355 0.714 10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.657 3.979 8.358 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.177 2.216 12.694 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.479 5.481 10.349 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.739 4.581 12.493 1.00 0.00 H new ATOM 270 N SER A 20 2.056 3.141 6.892 1.00 0.00 N ATOM 271 CA SER A 20 1.221 4.330 6.897 1.00 0.00 C ATOM 272 C SER A 20 -0.236 3.947 6.630 1.00 0.00 C ATOM 273 O SER A 20 -1.139 4.405 7.329 1.00 0.00 O ATOM 274 CB SER A 20 1.702 5.344 5.857 1.00 0.00 C ATOM 275 OG SER A 20 2.981 5.880 6.185 1.00 0.00 O ATOM 0 H SER A 20 2.820 3.159 6.217 1.00 0.00 H new ATOM 0 HA SER A 20 1.293 4.795 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.750 4.865 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.978 6.155 5.780 1.00 0.00 H new ATOM 0 HG SER A 20 3.279 6.478 5.468 1.00 0.00 H new ATOM 281 N GLN A 21 -0.420 3.112 5.618 1.00 0.00 N ATOM 282 CA GLN A 21 -1.752 2.663 5.251 1.00 0.00 C ATOM 283 C GLN A 21 -2.471 2.082 6.471 1.00 0.00 C ATOM 284 O GLN A 21 -3.684 2.233 6.611 1.00 0.00 O ATOM 285 CB GLN A 21 -1.693 1.643 4.113 1.00 0.00 C ATOM 286 CG GLN A 21 -2.082 2.285 2.780 1.00 0.00 C ATOM 287 CD GLN A 21 -2.308 1.221 1.704 1.00 0.00 C ATOM 288 OE1 GLN A 21 -1.912 0.074 1.835 1.00 0.00 O ATOM 289 NE2 GLN A 21 -2.965 1.663 0.635 1.00 0.00 N ATOM 0 H GLN A 21 0.331 2.735 5.041 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.319 3.523 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.687 1.230 4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.364 0.812 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.989 2.876 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.297 2.970 2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.269 2.636 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.165 1.029 -0.139 1.00 0.00 H new ATOM 298 N GLU A 22 -1.693 1.431 7.322 1.00 0.00 N ATOM 299 CA GLU A 22 -2.240 0.827 8.525 1.00 0.00 C ATOM 300 C GLU A 22 -2.799 1.907 9.454 1.00 0.00 C ATOM 301 O GLU A 22 -3.882 1.748 10.015 1.00 0.00 O ATOM 302 CB GLU A 22 -1.187 -0.021 9.241 1.00 0.00 C ATOM 303 CG GLU A 22 -1.806 -1.301 9.807 1.00 0.00 C ATOM 304 CD GLU A 22 -1.037 -2.537 9.335 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.104 -2.816 8.118 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.399 -3.173 10.201 1.00 0.00 O ATOM 0 H GLU A 22 -0.687 1.308 7.203 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.056 0.165 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.387 -0.276 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.737 0.557 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.803 -1.260 10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.848 -1.375 9.494 1.00 0.00 H new ATOM 313 N LEU A 23 -2.035 2.981 9.587 1.00 0.00 N ATOM 314 CA LEU A 23 -2.440 4.087 10.438 1.00 0.00 C ATOM 315 C LEU A 23 -3.633 4.804 9.802 1.00 0.00 C ATOM 316 O LEU A 23 -4.423 5.440 10.499 1.00 0.00 O ATOM 317 CB LEU A 23 -1.251 5.006 10.725 1.00 0.00 C ATOM 318 CG LEU A 23 -0.126 4.404 11.568 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.245 4.839 11.045 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.308 4.743 13.049 1.00 0.00 C ATOM 0 H LEU A 23 -1.137 3.109 9.120 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.770 3.719 11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.831 5.331 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.620 5.898 11.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.176 3.319 11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.027 4.397 11.662 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.364 4.505 10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.322 5.926 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.505 4.303 13.626 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.300 5.825 13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.259 4.343 13.400 1.00 0.00 H new ATOM 332 N LEU A 24 -3.726 4.677 8.487 1.00 0.00 N ATOM 333 CA LEU A 24 -4.808 5.305 7.749 1.00 0.00 C ATOM 334 C LEU A 24 -6.059 4.429 7.843 1.00 0.00 C ATOM 335 O LEU A 24 -7.180 4.930 7.764 1.00 0.00 O ATOM 336 CB LEU A 24 -4.375 5.606 6.313 1.00 0.00 C ATOM 337 CG LEU A 24 -3.345 6.725 6.144 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.210 7.128 4.674 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.681 7.920 7.038 1.00 0.00 C ATOM 0 H LEU A 24 -3.069 4.148 7.913 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.059 6.270 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.966 4.694 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.261 5.865 5.734 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.374 6.347 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.472 7.925 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.889 6.266 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.173 7.480 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.933 8.701 6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.664 8.308 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.685 7.604 8.081 1.00 0.00 H new ATOM 351 N SER A 25 -5.826 3.136 8.010 1.00 0.00 N ATOM 352 CA SER A 25 -6.919 2.185 8.116 1.00 0.00 C ATOM 353 C SER A 25 -7.247 1.926 9.588 1.00 0.00 C ATOM 354 O SER A 25 -8.341 1.466 9.912 1.00 0.00 O ATOM 355 CB SER A 25 -6.578 0.872 7.409 1.00 0.00 C ATOM 356 OG SER A 25 -7.584 -0.118 7.607 1.00 0.00 O ATOM 0 H SER A 25 -4.895 2.724 8.075 1.00 0.00 H new ATOM 0 HA SER A 25 -7.793 2.613 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.456 1.056 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.623 0.498 7.779 1.00 0.00 H new ATOM 0 HG SER A 25 -7.330 -0.941 7.139 1.00 0.00 H new ATOM 362 N ASN A 26 -6.279 2.232 10.439 1.00 0.00 N ATOM 363 CA ASN A 26 -6.451 2.038 11.869 1.00 0.00 C ATOM 364 C ASN A 26 -7.329 3.159 12.430 1.00 0.00 C ATOM 365 O ASN A 26 -8.398 2.900 12.980 1.00 0.00 O ATOM 366 CB ASN A 26 -5.106 2.081 12.597 1.00 0.00 C ATOM 367 CG ASN A 26 -4.320 0.788 12.372 1.00 0.00 C ATOM 368 OD1 ASN A 26 -3.011 0.970 12.223 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.865 -0.303 12.337 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.373 2.613 10.166 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.913 1.063 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.523 2.931 12.243 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.271 2.230 13.664 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.875 -0.373 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.310 -1.146 12.186 1.00 0.00 H new ATOM 376 N GLY A 27 -6.844 4.382 12.271 1.00 0.00 N ATOM 377 CA GLY A 27 -7.570 5.544 12.755 1.00 0.00 C ATOM 378 C GLY A 27 -6.964 6.066 14.059 1.00 0.00 C ATOM 379 O GLY A 27 -7.645 6.721 14.846 1.00 0.00 O ATOM 0 H GLY A 27 -5.957 4.593 11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.550 6.330 12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.616 5.283 12.915 1.00 0.00 H new ATOM 383 N GLU A 28 -5.689 5.756 14.247 1.00 0.00 N ATOM 384 CA GLU A 28 -4.983 6.186 15.442 1.00 0.00 C ATOM 385 C GLU A 28 -4.751 7.698 15.407 1.00 0.00 C ATOM 386 O GLU A 28 -4.582 8.328 16.450 1.00 0.00 O ATOM 387 CB GLU A 28 -3.661 5.432 15.599 1.00 0.00 C ATOM 388 CG GLU A 28 -3.752 4.033 14.985 1.00 0.00 C ATOM 389 CD GLU A 28 -2.972 3.016 15.820 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.956 3.432 16.419 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.409 1.845 15.842 1.00 0.00 O ATOM 0 H GLU A 28 -5.127 5.212 13.592 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.601 5.953 16.309 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.859 5.993 15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.406 5.353 16.656 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.797 3.729 14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.359 4.052 13.968 1.00 0.00 H new ATOM 398 N LEU A 29 -4.750 8.236 14.196 1.00 0.00 N ATOM 399 CA LEU A 29 -4.542 9.662 14.011 1.00 0.00 C ATOM 400 C LEU A 29 -5.700 10.241 13.196 1.00 0.00 C ATOM 401 O LEU A 29 -5.491 11.087 12.328 1.00 0.00 O ATOM 402 CB LEU A 29 -3.165 9.927 13.398 1.00 0.00 C ATOM 403 CG LEU A 29 -2.193 8.746 13.397 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.176 8.874 12.261 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.514 8.593 14.759 1.00 0.00 C ATOM 0 H LEU A 29 -4.890 7.710 13.333 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.542 10.175 14.973 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.305 10.258 12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.702 10.753 13.938 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.764 7.835 13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.497 8.022 12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.699 8.897 11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.606 9.795 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.828 7.746 14.731 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.959 9.502 14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.270 8.422 15.525 1.00 0.00 H new ATOM 417 N ASN A 30 -6.896 9.762 13.504 1.00 0.00 N ATOM 418 CA ASN A 30 -8.088 10.221 12.811 1.00 0.00 C ATOM 419 C ASN A 30 -8.661 11.437 13.542 1.00 0.00 C ATOM 420 O ASN A 30 -9.698 11.970 13.149 1.00 0.00 O ATOM 421 CB ASN A 30 -9.164 9.134 12.786 1.00 0.00 C ATOM 422 CG ASN A 30 -9.068 8.296 11.510 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.325 8.601 10.591 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.858 7.227 11.504 1.00 0.00 N ATOM 0 H ASN A 30 -7.065 9.060 14.225 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.807 10.474 11.789 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.055 8.489 13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.151 9.593 12.851 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.867 6.604 10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.456 7.030 12.307 1.00 0.00 H new ATOM 431 N HIS A 31 -7.960 11.841 14.591 1.00 0.00 N ATOM 432 CA HIS A 31 -8.386 12.984 15.380 1.00 0.00 C ATOM 433 C HIS A 31 -7.882 14.274 14.729 1.00 0.00 C ATOM 434 O HIS A 31 -8.333 15.365 15.074 1.00 0.00 O ATOM 435 CB HIS A 31 -7.935 12.839 16.835 1.00 0.00 C ATOM 436 CG HIS A 31 -6.443 12.676 17.002 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.806 11.452 16.893 1.00 0.00 N ATOM 438 CD2 HIS A 31 -5.470 13.594 17.269 1.00 0.00 C ATOM 439 CE1 HIS A 31 -4.509 11.636 17.089 1.00 0.00 C ATOM 440 NE2 HIS A 31 -4.303 12.964 17.322 1.00 0.00 N ATOM 0 H HIS A 31 -7.100 11.397 14.913 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.475 13.030 15.401 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.259 13.717 17.394 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.436 11.977 17.276 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.623 14.653 17.413 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.749 10.869 17.068 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.400 13.401 17.507 1.00 0.00 H new ATOM 448 N LEU A 32 -6.954 14.105 13.798 1.00 0.00 N ATOM 449 CA LEU A 32 -6.384 15.242 13.096 1.00 0.00 C ATOM 450 C LEU A 32 -6.579 15.055 11.590 1.00 0.00 C ATOM 451 O LEU A 32 -6.940 13.970 11.137 1.00 0.00 O ATOM 452 CB LEU A 32 -4.925 15.449 13.506 1.00 0.00 C ATOM 453 CG LEU A 32 -4.229 14.243 14.141 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.825 13.221 13.077 1.00 0.00 C ATOM 455 CD2 LEU A 32 -3.038 14.684 14.994 1.00 0.00 C ATOM 0 H LEU A 32 -6.583 13.198 13.514 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.902 16.160 13.374 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.359 15.747 12.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.880 16.281 14.209 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.937 13.751 14.807 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.332 12.374 13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.714 12.874 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.141 13.686 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.561 13.808 15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.319 15.213 14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.384 15.346 15.788 1.00 0.00 H new ATOM 467 N PRO A 33 -6.323 16.158 10.836 1.00 0.00 N ATOM 468 CA PRO A 33 -6.466 16.126 9.390 1.00 0.00 C ATOM 469 C PRO A 33 -5.305 15.370 8.741 1.00 0.00 C ATOM 470 O PRO A 33 -4.240 15.229 9.340 1.00 0.00 O ATOM 471 CB PRO A 33 -6.535 17.585 8.969 1.00 0.00 C ATOM 472 CG PRO A 33 -5.964 18.381 10.131 1.00 0.00 C ATOM 473 CD PRO A 33 -5.893 17.460 11.338 1.00 0.00 C ATOM 0 HA PRO A 33 -7.358 15.590 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.961 17.756 8.058 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.562 17.883 8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.973 18.761 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.592 19.245 10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.882 17.414 11.742 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.542 17.809 12.141 1.00 0.00 H new ATOM 481 N LEU A 34 -5.550 14.905 7.525 1.00 0.00 N ATOM 482 CA LEU A 34 -4.538 14.168 6.788 1.00 0.00 C ATOM 483 C LEU A 34 -3.201 14.905 6.889 1.00 0.00 C ATOM 484 O LEU A 34 -2.204 14.333 7.327 1.00 0.00 O ATOM 485 CB LEU A 34 -4.996 13.921 5.349 1.00 0.00 C ATOM 486 CG LEU A 34 -4.126 12.974 4.521 1.00 0.00 C ATOM 487 CD1 LEU A 34 -4.625 11.532 4.633 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.039 13.439 3.066 1.00 0.00 C ATOM 0 H LEU A 34 -6.435 15.024 7.032 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.392 13.181 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.010 13.521 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.045 14.881 4.835 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.115 12.997 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.989 10.879 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.592 11.215 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.651 11.473 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.415 12.748 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.038 13.464 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.602 14.437 3.028 1.00 0.00 H new ATOM 500 N LYS A 35 -3.223 16.164 6.477 1.00 0.00 N ATOM 501 CA LYS A 35 -2.025 16.985 6.515 1.00 0.00 C ATOM 502 C LYS A 35 -1.270 16.717 7.819 1.00 0.00 C ATOM 503 O LYS A 35 -0.046 16.832 7.867 1.00 0.00 O ATOM 504 CB LYS A 35 -2.378 18.459 6.301 1.00 0.00 C ATOM 505 CG LYS A 35 -1.152 19.351 6.503 1.00 0.00 C ATOM 506 CD LYS A 35 -0.353 19.486 5.206 1.00 0.00 C ATOM 507 CE LYS A 35 0.621 20.664 5.281 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.045 21.915 4.855 1.00 0.00 N ATOM 0 H LYS A 35 -4.052 16.636 6.115 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.355 16.719 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.773 18.600 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.165 18.753 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.467 20.337 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.517 18.931 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.199 18.565 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.035 19.627 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.993 20.772 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.485 20.470 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.630 22.704 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.378 21.814 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.855 22.107 5.478 1.00 0.00 H new ATOM 522 N GLU A 36 -2.031 16.365 8.845 1.00 0.00 N ATOM 523 CA GLU A 36 -1.450 16.080 10.145 1.00 0.00 C ATOM 524 C GLU A 36 -1.180 14.580 10.288 1.00 0.00 C ATOM 525 O GLU A 36 -0.185 14.180 10.892 1.00 0.00 O ATOM 526 CB GLU A 36 -2.352 16.584 11.272 1.00 0.00 C ATOM 527 CG GLU A 36 -2.146 18.081 11.511 1.00 0.00 C ATOM 528 CD GLU A 36 -2.056 18.391 13.007 1.00 0.00 C ATOM 529 OE1 GLU A 36 -3.066 18.141 13.700 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.980 18.870 13.424 1.00 0.00 O ATOM 0 H GLU A 36 -3.046 16.271 8.802 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.500 16.610 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.395 16.392 11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.138 16.033 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.234 18.410 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.971 18.640 11.069 1.00 0.00 H new ATOM 537 N ARG A 37 -2.083 13.792 9.724 1.00 0.00 N ATOM 538 CA ARG A 37 -1.954 12.346 9.781 1.00 0.00 C ATOM 539 C ARG A 37 -0.614 11.908 9.188 1.00 0.00 C ATOM 540 O ARG A 37 0.200 11.291 9.874 1.00 0.00 O ATOM 541 CB ARG A 37 -3.090 11.662 9.017 1.00 0.00 C ATOM 542 CG ARG A 37 -4.452 12.051 9.595 1.00 0.00 C ATOM 543 CD ARG A 37 -5.541 11.080 9.133 1.00 0.00 C ATOM 544 NE ARG A 37 -6.867 11.554 9.588 1.00 0.00 N ATOM 545 CZ ARG A 37 -8.026 11.217 9.005 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.028 10.403 7.941 1.00 0.00 N ATOM 547 NH2 ARG A 37 -9.181 11.695 9.486 1.00 0.00 N ATOM 0 H ARG A 37 -2.907 14.127 9.225 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.005 12.050 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.045 11.941 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.966 10.580 9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.401 12.055 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.707 13.064 9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.529 10.997 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.345 10.084 9.531 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.901 12.176 10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.148 10.040 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.910 10.146 7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.178 12.315 10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.063 11.439 9.043 1.00 0.00 H new ATOM 561 N MET A 38 -0.425 12.244 7.920 1.00 0.00 N ATOM 562 CA MET A 38 0.803 11.894 7.228 1.00 0.00 C ATOM 563 C MET A 38 2.029 12.283 8.055 1.00 0.00 C ATOM 564 O MET A 38 2.760 11.416 8.534 1.00 0.00 O ATOM 565 CB MET A 38 0.850 12.610 5.877 1.00 0.00 C ATOM 566 CG MET A 38 -0.463 12.428 5.113 1.00 0.00 C ATOM 567 SD MET A 38 -1.017 10.736 5.247 1.00 0.00 S ATOM 568 CE MET A 38 0.311 9.906 4.392 1.00 0.00 C ATOM 0 H MET A 38 -1.102 12.755 7.354 1.00 0.00 H new ATOM 0 HA MET A 38 0.818 10.815 7.078 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.041 13.672 6.031 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.677 12.220 5.284 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.222 13.101 5.512 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.323 12.692 4.065 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.087 9.052 3.844 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.782 10.597 3.693 1.00 0.00 H new ATOM 0 HE3 MET A 38 1.050 9.561 5.115 1.00 0.00 H new ATOM 578 N VAL A 39 2.218 13.586 8.198 1.00 0.00 N ATOM 579 CA VAL A 39 3.344 14.101 8.960 1.00 0.00 C ATOM 580 C VAL A 39 3.558 13.227 10.197 1.00 0.00 C ATOM 581 O VAL A 39 4.622 12.633 10.365 1.00 0.00 O ATOM 582 CB VAL A 39 3.115 15.574 9.301 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.707 15.797 9.856 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.176 16.082 10.279 1.00 0.00 C ATOM 0 H VAL A 39 1.610 14.302 7.799 1.00 0.00 H new ATOM 0 HA VAL A 39 4.258 14.057 8.368 1.00 0.00 H new ATOM 0 HB VAL A 39 3.206 16.148 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.571 16.853 10.090 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.970 15.492 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.575 15.205 10.761 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.990 17.132 10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.131 15.500 11.199 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.164 15.977 9.831 1.00 0.00 H new ATOM 594 N GLU A 40 2.531 13.177 11.032 1.00 0.00 N ATOM 595 CA GLU A 40 2.594 12.386 12.250 1.00 0.00 C ATOM 596 C GLU A 40 3.090 10.972 11.939 1.00 0.00 C ATOM 597 O GLU A 40 3.950 10.444 12.642 1.00 0.00 O ATOM 598 CB GLU A 40 1.234 12.348 12.950 1.00 0.00 C ATOM 599 CG GLU A 40 1.400 12.368 14.471 1.00 0.00 C ATOM 600 CD GLU A 40 2.175 13.608 14.921 1.00 0.00 C ATOM 601 OE1 GLU A 40 2.055 14.638 14.222 1.00 0.00 O ATOM 602 OE2 GLU A 40 2.870 13.499 15.954 1.00 0.00 O ATOM 0 H GLU A 40 1.650 13.671 10.890 1.00 0.00 H new ATOM 0 HA GLU A 40 3.303 12.858 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.635 13.202 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.692 11.451 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.420 12.354 14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.925 11.469 14.795 1.00 0.00 H new ATOM 609 N ILE A 41 2.527 10.400 10.885 1.00 0.00 N ATOM 610 CA ILE A 41 2.901 9.058 10.473 1.00 0.00 C ATOM 611 C ILE A 41 4.407 9.013 10.203 1.00 0.00 C ATOM 612 O ILE A 41 5.131 8.241 10.829 1.00 0.00 O ATOM 613 CB ILE A 41 2.050 8.605 9.285 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.581 8.460 9.687 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.605 7.319 8.671 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.339 8.635 8.477 1.00 0.00 C ATOM 0 H ILE A 41 1.814 10.842 10.304 1.00 0.00 H new ATOM 0 HA ILE A 41 2.698 8.344 11.271 1.00 0.00 H new ATOM 0 HB ILE A 41 2.100 9.376 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.418 7.479 10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.333 9.201 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.981 7.019 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.624 7.491 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.606 6.528 9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.377 8.527 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.191 9.626 8.048 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.105 7.877 7.730 1.00 0.00 H new ATOM 628 N GLY A 42 4.833 9.852 9.269 1.00 0.00 N ATOM 629 CA GLY A 42 6.239 9.918 8.908 1.00 0.00 C ATOM 630 C GLY A 42 7.129 9.821 10.149 1.00 0.00 C ATOM 631 O GLY A 42 8.250 9.322 10.076 1.00 0.00 O ATOM 0 H GLY A 42 4.229 10.491 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.480 9.108 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.440 10.852 8.384 1.00 0.00 H new ATOM 635 N SER A 43 6.594 10.306 11.260 1.00 0.00 N ATOM 636 CA SER A 43 7.326 10.281 12.516 1.00 0.00 C ATOM 637 C SER A 43 7.339 8.861 13.085 1.00 0.00 C ATOM 638 O SER A 43 8.403 8.302 13.343 1.00 0.00 O ATOM 639 CB SER A 43 6.716 11.253 13.528 1.00 0.00 C ATOM 640 OG SER A 43 7.710 11.861 14.349 1.00 0.00 O ATOM 0 H SER A 43 5.663 10.718 11.317 1.00 0.00 H new ATOM 0 HA SER A 43 8.351 10.597 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.160 12.027 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.002 10.721 14.157 1.00 0.00 H new ATOM 0 HG SER A 43 7.281 12.476 14.981 1.00 0.00 H new ATOM 646 N ARG A 44 6.143 8.319 13.265 1.00 0.00 N ATOM 647 CA ARG A 44 6.003 6.975 13.799 1.00 0.00 C ATOM 648 C ARG A 44 6.872 5.996 13.007 1.00 0.00 C ATOM 649 O ARG A 44 7.464 5.082 13.580 1.00 0.00 O ATOM 650 CB ARG A 44 4.547 6.510 13.747 1.00 0.00 C ATOM 651 CG ARG A 44 3.663 7.373 14.651 1.00 0.00 C ATOM 652 CD ARG A 44 2.508 6.555 15.231 1.00 0.00 C ATOM 653 NE ARG A 44 2.949 5.856 16.459 1.00 0.00 N ATOM 654 CZ ARG A 44 2.114 5.328 17.364 1.00 0.00 C ATOM 655 NH1 ARG A 44 0.789 5.417 17.185 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.604 4.711 18.448 1.00 0.00 N ATOM 0 H ARG A 44 5.262 8.787 13.050 1.00 0.00 H new ATOM 0 HA ARG A 44 6.329 6.996 14.839 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.182 6.559 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.483 5.467 14.058 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.262 7.789 15.461 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.268 8.215 14.083 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.666 7.209 15.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.160 5.830 14.495 1.00 0.00 H new ATOM 0 HE ARG A 44 3.952 5.771 16.627 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.416 5.887 16.360 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.153 5.015 17.874 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.613 4.643 18.584 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.968 4.309 19.137 1.00 0.00 H new ATOM 670 N TRP A 45 6.922 6.221 11.702 1.00 0.00 N ATOM 671 CA TRP A 45 7.708 5.370 10.826 1.00 0.00 C ATOM 672 C TRP A 45 9.187 5.616 11.130 1.00 0.00 C ATOM 673 O TRP A 45 10.008 4.706 11.018 1.00 0.00 O ATOM 674 CB TRP A 45 7.351 5.614 9.358 1.00 0.00 C ATOM 675 CG TRP A 45 8.297 4.936 8.366 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.368 5.462 7.755 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.214 3.576 7.891 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.978 4.544 6.925 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.254 3.361 7.010 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.290 2.561 8.195 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.469 2.139 6.361 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.519 1.345 7.539 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.561 1.113 6.649 1.00 0.00 C ATOM 0 H TRP A 45 6.431 6.981 11.231 1.00 0.00 H new ATOM 0 HA TRP A 45 7.485 4.319 11.009 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.337 5.258 9.178 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.351 6.687 9.168 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.710 6.477 7.895 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.808 4.704 6.354 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.468 2.707 8.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.291 1.996 5.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.838 0.531 7.739 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.670 0.145 6.182 1.00 0.00 H new ATOM 694 N GLN A 46 9.483 6.851 11.508 1.00 0.00 N ATOM 695 CA GLN A 46 10.849 7.229 11.829 1.00 0.00 C ATOM 696 C GLN A 46 11.222 6.732 13.227 1.00 0.00 C ATOM 697 O GLN A 46 12.354 6.914 13.673 1.00 0.00 O ATOM 698 CB GLN A 46 11.040 8.742 11.716 1.00 0.00 C ATOM 699 CG GLN A 46 11.543 9.129 10.323 1.00 0.00 C ATOM 700 CD GLN A 46 13.041 9.439 10.348 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.549 10.102 11.237 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.717 8.924 9.325 1.00 0.00 N ATOM 0 H GLN A 46 8.800 7.603 11.599 1.00 0.00 H new ATOM 0 HA GLN A 46 11.515 6.757 11.107 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.096 9.247 11.919 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.751 9.080 12.470 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.348 8.316 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.994 9.999 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.229 8.378 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.723 9.075 9.251 1.00 0.00 H new ATOM 711 N ARG A 47 10.249 6.115 13.881 1.00 0.00 N ATOM 712 CA ARG A 47 10.461 5.591 15.219 1.00 0.00 C ATOM 713 C ARG A 47 10.775 4.094 15.160 1.00 0.00 C ATOM 714 O ARG A 47 11.765 3.641 15.731 1.00 0.00 O ATOM 715 CB ARG A 47 9.229 5.812 16.099 1.00 0.00 C ATOM 716 CG ARG A 47 9.066 7.292 16.453 1.00 0.00 C ATOM 717 CD ARG A 47 7.743 7.540 17.179 1.00 0.00 C ATOM 718 NE ARG A 47 7.888 7.224 18.617 1.00 0.00 N ATOM 719 CZ ARG A 47 7.745 5.996 19.135 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.452 4.962 18.335 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.894 5.803 20.452 1.00 0.00 N ATOM 0 H ARG A 47 9.311 5.966 13.509 1.00 0.00 H new ATOM 0 HA ARG A 47 11.305 6.126 15.654 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.338 5.459 15.579 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.320 5.224 17.012 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.896 7.612 17.083 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.105 7.893 15.545 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.440 8.580 17.055 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.957 6.925 16.740 1.00 0.00 H new ATOM 0 HE ARG A 47 8.111 7.989 19.254 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.338 5.109 17.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.343 4.027 18.729 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.116 6.591 21.061 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.785 4.869 20.846 1.00 0.00 H new ATOM 735 N ILE A 48 9.912 3.369 14.463 1.00 0.00 N ATOM 736 CA ILE A 48 10.085 1.933 14.322 1.00 0.00 C ATOM 737 C ILE A 48 11.545 1.630 13.982 1.00 0.00 C ATOM 738 O ILE A 48 12.316 2.538 13.675 1.00 0.00 O ATOM 739 CB ILE A 48 9.088 1.371 13.306 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.162 2.137 11.984 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.670 1.355 13.880 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.220 1.528 10.944 1.00 0.00 C ATOM 0 H ILE A 48 9.092 3.749 13.990 1.00 0.00 H new ATOM 0 HA ILE A 48 9.865 1.429 15.263 1.00 0.00 H new ATOM 0 HB ILE A 48 9.362 0.337 13.095 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.900 3.182 12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.185 2.121 11.607 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.982 0.951 13.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.646 0.732 14.774 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.370 2.371 14.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.292 2.091 10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.500 0.490 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.195 1.568 11.314 1.00 0.00 H new ATOM 754 N SER A 49 11.882 0.351 14.049 1.00 0.00 N ATOM 755 CA SER A 49 13.237 -0.083 13.752 1.00 0.00 C ATOM 756 C SER A 49 13.275 -0.790 12.396 1.00 0.00 C ATOM 757 O SER A 49 12.251 -0.907 11.724 1.00 0.00 O ATOM 758 CB SER A 49 13.771 -1.008 14.848 1.00 0.00 C ATOM 759 OG SER A 49 15.176 -0.856 15.036 1.00 0.00 O ATOM 0 H SER A 49 11.240 -0.399 14.305 1.00 0.00 H new ATOM 0 HA SER A 49 13.878 0.798 13.713 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.255 -0.797 15.784 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.550 -2.043 14.589 1.00 0.00 H new ATOM 0 HG SER A 49 15.479 -1.462 15.745 1.00 0.00 H new ATOM 765 N GLN A 50 14.466 -1.243 12.034 1.00 0.00 N ATOM 766 CA GLN A 50 14.650 -1.936 10.770 1.00 0.00 C ATOM 767 C GLN A 50 13.630 -3.067 10.630 1.00 0.00 C ATOM 768 O GLN A 50 12.936 -3.161 9.618 1.00 0.00 O ATOM 769 CB GLN A 50 16.079 -2.467 10.639 1.00 0.00 C ATOM 770 CG GLN A 50 16.307 -3.094 9.262 1.00 0.00 C ATOM 771 CD GLN A 50 15.904 -2.129 8.146 1.00 0.00 C ATOM 772 OE1 GLN A 50 16.709 -1.382 7.615 1.00 0.00 O ATOM 773 NE2 GLN A 50 14.615 -2.186 7.821 1.00 0.00 N ATOM 0 H GLN A 50 15.313 -1.144 12.594 1.00 0.00 H new ATOM 0 HA GLN A 50 14.486 -1.224 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.788 -1.654 10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.268 -3.208 11.416 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.357 -3.365 9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.729 -4.015 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.995 -2.835 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.247 -1.581 7.087 1.00 0.00 H new ATOM 782 N SER A 51 13.571 -3.898 11.660 1.00 0.00 N ATOM 783 CA SER A 51 12.647 -5.019 11.665 1.00 0.00 C ATOM 784 C SER A 51 11.319 -4.606 11.027 1.00 0.00 C ATOM 785 O SER A 51 10.974 -5.075 9.944 1.00 0.00 O ATOM 786 CB SER A 51 12.414 -5.535 13.086 1.00 0.00 C ATOM 787 OG SER A 51 11.385 -6.519 13.136 1.00 0.00 O ATOM 0 H SER A 51 14.148 -3.817 12.497 1.00 0.00 H new ATOM 0 HA SER A 51 13.088 -5.827 11.081 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.340 -5.959 13.474 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.149 -4.701 13.736 1.00 0.00 H new ATOM 0 HG SER A 51 11.269 -6.824 14.060 1.00 0.00 H new ATOM 793 N GLN A 52 10.610 -3.732 11.726 1.00 0.00 N ATOM 794 CA GLN A 52 9.328 -3.250 11.241 1.00 0.00 C ATOM 795 C GLN A 52 9.415 -2.915 9.751 1.00 0.00 C ATOM 796 O GLN A 52 8.867 -3.633 8.916 1.00 0.00 O ATOM 797 CB GLN A 52 8.856 -2.039 12.049 1.00 0.00 C ATOM 798 CG GLN A 52 7.587 -2.366 12.838 1.00 0.00 C ATOM 799 CD GLN A 52 7.718 -3.713 13.553 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.090 -4.697 13.198 1.00 0.00 O ATOM 801 NE2 GLN A 52 8.566 -3.701 14.577 1.00 0.00 N ATOM 0 H GLN A 52 10.899 -3.345 12.624 1.00 0.00 H new ATOM 0 HA GLN A 52 8.591 -4.043 11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.644 -1.725 12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.665 -1.202 11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.396 -1.580 13.568 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.731 -2.390 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.059 -2.842 14.820 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.723 -4.551 15.119 1.00 0.00 H new ATOM 810 N LYS A 53 10.109 -1.823 9.462 1.00 0.00 N ATOM 811 CA LYS A 53 10.276 -1.385 8.087 1.00 0.00 C ATOM 812 C LYS A 53 10.472 -2.606 7.187 1.00 0.00 C ATOM 813 O LYS A 53 9.817 -2.731 6.153 1.00 0.00 O ATOM 814 CB LYS A 53 11.405 -0.358 7.986 1.00 0.00 C ATOM 815 CG LYS A 53 11.053 0.922 8.747 1.00 0.00 C ATOM 816 CD LYS A 53 12.067 2.030 8.457 1.00 0.00 C ATOM 817 CE LYS A 53 11.730 3.301 9.239 1.00 0.00 C ATOM 818 NZ LYS A 53 12.399 3.291 10.559 1.00 0.00 N ATOM 0 H LYS A 53 10.562 -1.229 10.157 1.00 0.00 H new ATOM 0 HA LYS A 53 9.379 -0.873 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.325 -0.783 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.594 -0.122 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.055 1.255 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.029 0.718 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.068 1.690 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.077 2.248 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.044 4.178 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.651 3.377 9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.807 3.791 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.540 2.308 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.321 3.767 10.485 1.00 0.00 H new ATOM 832 N GLU A 54 11.377 -3.475 7.612 1.00 0.00 N ATOM 833 CA GLU A 54 11.668 -4.682 6.857 1.00 0.00 C ATOM 834 C GLU A 54 10.391 -5.498 6.647 1.00 0.00 C ATOM 835 O GLU A 54 10.064 -5.866 5.520 1.00 0.00 O ATOM 836 CB GLU A 54 12.744 -5.518 7.553 1.00 0.00 C ATOM 837 CG GLU A 54 14.130 -5.214 6.982 1.00 0.00 C ATOM 838 CD GLU A 54 14.561 -6.292 5.985 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.725 -7.447 6.435 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.717 -5.937 4.797 1.00 0.00 O ATOM 0 H GLU A 54 11.919 -3.367 8.470 1.00 0.00 H new ATOM 0 HA GLU A 54 12.055 -4.391 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.734 -5.311 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.521 -6.578 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.119 -4.242 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.856 -5.152 7.793 1.00 0.00 H new ATOM 847 N HIS A 55 9.703 -5.755 7.750 1.00 0.00 N ATOM 848 CA HIS A 55 8.469 -6.521 7.700 1.00 0.00 C ATOM 849 C HIS A 55 7.503 -5.873 6.706 1.00 0.00 C ATOM 850 O HIS A 55 7.136 -6.483 5.703 1.00 0.00 O ATOM 851 CB HIS A 55 7.867 -6.672 9.099 1.00 0.00 C ATOM 852 CG HIS A 55 6.665 -7.585 9.155 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.772 -8.964 9.201 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.331 -7.301 9.172 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.552 -9.477 9.243 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.660 -8.445 9.225 1.00 0.00 N ATOM 0 H HIS A 55 9.976 -5.447 8.683 1.00 0.00 H new ATOM 0 HA HIS A 55 8.677 -7.531 7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.633 -7.055 9.774 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.580 -5.687 9.468 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.643 -9.495 9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.895 -6.313 9.147 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.306 -10.528 9.284 1.00 0.00 H new ATOM 864 N TYR A 56 7.118 -4.644 7.019 1.00 0.00 N ATOM 865 CA TYR A 56 6.202 -3.906 6.166 1.00 0.00 C ATOM 866 C TYR A 56 6.644 -3.969 4.703 1.00 0.00 C ATOM 867 O TYR A 56 5.866 -4.353 3.831 1.00 0.00 O ATOM 868 CB TYR A 56 6.260 -2.453 6.642 1.00 0.00 C ATOM 869 CG TYR A 56 5.485 -2.191 7.935 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.196 -2.662 8.075 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.077 -1.484 8.962 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.467 -2.415 9.293 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.348 -1.237 10.180 1.00 0.00 C ATOM 874 CZ TYR A 56 4.079 -1.715 10.285 1.00 0.00 C ATOM 875 OH TYR A 56 3.391 -1.482 11.434 1.00 0.00 O ATOM 0 H TYR A 56 7.424 -4.141 7.852 1.00 0.00 H new ATOM 0 HA TYR A 56 5.198 -4.326 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.302 -2.172 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.865 -1.808 5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.733 -3.216 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.086 -1.116 8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.457 -2.778 9.415 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.799 -0.685 10.991 1.00 0.00 H new ATOM 0 HH TYR A 56 3.953 -0.971 12.054 1.00 0.00 H new ATOM 885 N LYS A 57 7.893 -3.586 4.479 1.00 0.00 N ATOM 886 CA LYS A 57 8.448 -3.594 3.136 1.00 0.00 C ATOM 887 C LYS A 57 8.309 -4.996 2.539 1.00 0.00 C ATOM 888 O LYS A 57 8.159 -5.147 1.328 1.00 0.00 O ATOM 889 CB LYS A 57 9.886 -3.071 3.148 1.00 0.00 C ATOM 890 CG LYS A 57 10.423 -2.912 1.724 1.00 0.00 C ATOM 891 CD LYS A 57 11.223 -1.615 1.582 1.00 0.00 C ATOM 892 CE LYS A 57 12.712 -1.858 1.833 1.00 0.00 C ATOM 893 NZ LYS A 57 13.448 -0.575 1.868 1.00 0.00 N ATOM 0 H LYS A 57 8.536 -3.268 5.205 1.00 0.00 H new ATOM 0 HA LYS A 57 7.891 -2.915 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.924 -2.112 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.522 -3.758 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.056 -3.763 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.594 -2.911 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.082 -1.204 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.848 -0.873 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.846 -2.387 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.119 -2.496 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.457 -0.758 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.335 -0.085 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.070 0.021 2.632 1.00 0.00 H new ATOM 907 N LYS A 58 8.364 -5.987 3.418 1.00 0.00 N ATOM 908 CA LYS A 58 8.246 -7.371 2.993 1.00 0.00 C ATOM 909 C LYS A 58 6.791 -7.663 2.620 1.00 0.00 C ATOM 910 O LYS A 58 6.525 -8.355 1.639 1.00 0.00 O ATOM 911 CB LYS A 58 8.807 -8.310 4.063 1.00 0.00 C ATOM 912 CG LYS A 58 8.050 -9.639 4.077 1.00 0.00 C ATOM 913 CD LYS A 58 6.750 -9.521 4.875 1.00 0.00 C ATOM 914 CE LYS A 58 6.406 -10.845 5.562 1.00 0.00 C ATOM 915 NZ LYS A 58 7.390 -11.149 6.624 1.00 0.00 N ATOM 0 H LYS A 58 8.489 -5.858 4.422 1.00 0.00 H new ATOM 0 HA LYS A 58 8.846 -7.548 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.865 -8.492 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.735 -7.836 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.827 -9.945 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.679 -10.415 4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.848 -8.734 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.936 -9.230 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.405 -10.790 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.394 -11.650 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.943 -11.741 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.199 -11.657 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.721 -10.262 7.054 1.00 0.00 H new ATOM 929 N LEU A 59 5.887 -7.121 3.423 1.00 0.00 N ATOM 930 CA LEU A 59 4.466 -7.315 3.190 1.00 0.00 C ATOM 931 C LEU A 59 4.053 -6.557 1.927 1.00 0.00 C ATOM 932 O LEU A 59 3.287 -7.071 1.113 1.00 0.00 O ATOM 933 CB LEU A 59 3.662 -6.925 4.432 1.00 0.00 C ATOM 934 CG LEU A 59 3.861 -7.809 5.665 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.162 -7.211 6.887 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.405 -9.244 5.390 1.00 0.00 C ATOM 0 H LEU A 59 6.111 -6.547 4.236 1.00 0.00 H new ATOM 0 HA LEU A 59 4.248 -8.369 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.918 -5.900 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.603 -6.931 4.172 1.00 0.00 H new ATOM 0 HG LEU A 59 4.927 -7.847 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.319 -7.859 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.574 -6.224 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.094 -7.124 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.557 -9.851 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.347 -9.245 5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.985 -9.658 4.566 1.00 0.00 H new ATOM 948 N ALA A 60 4.579 -5.347 1.802 1.00 0.00 N ATOM 949 CA ALA A 60 4.274 -4.514 0.652 1.00 0.00 C ATOM 950 C ALA A 60 4.495 -5.320 -0.629 1.00 0.00 C ATOM 951 O ALA A 60 3.780 -5.137 -1.613 1.00 0.00 O ATOM 952 CB ALA A 60 5.130 -3.247 0.698 1.00 0.00 C ATOM 0 H ALA A 60 5.214 -4.924 2.479 1.00 0.00 H new ATOM 0 HA ALA A 60 3.229 -4.203 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.901 -2.622 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.915 -2.695 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.185 -3.520 0.679 1.00 0.00 H new ATOM 958 N GLU A 61 5.489 -6.195 -0.576 1.00 0.00 N ATOM 959 CA GLU A 61 5.813 -7.030 -1.720 1.00 0.00 C ATOM 960 C GLU A 61 4.752 -8.117 -1.902 1.00 0.00 C ATOM 961 O GLU A 61 4.374 -8.440 -3.027 1.00 0.00 O ATOM 962 CB GLU A 61 7.207 -7.643 -1.574 1.00 0.00 C ATOM 963 CG GLU A 61 8.138 -6.710 -0.797 1.00 0.00 C ATOM 964 CD GLU A 61 9.531 -6.674 -1.428 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.602 -6.886 -2.658 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.493 -6.435 -0.667 1.00 0.00 O ATOM 0 H GLU A 61 6.081 -6.344 0.242 1.00 0.00 H new ATOM 0 HA GLU A 61 5.819 -6.404 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.135 -8.601 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.626 -7.842 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.718 -5.705 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.212 -7.044 0.238 1.00 0.00 H new ATOM 973 N GLU A 62 4.301 -8.653 -0.777 1.00 0.00 N ATOM 974 CA GLU A 62 3.291 -9.697 -0.797 1.00 0.00 C ATOM 975 C GLU A 62 1.961 -9.139 -1.307 1.00 0.00 C ATOM 976 O GLU A 62 1.254 -9.804 -2.063 1.00 0.00 O ATOM 977 CB GLU A 62 3.127 -10.328 0.587 1.00 0.00 C ATOM 978 CG GLU A 62 1.957 -11.314 0.605 1.00 0.00 C ATOM 979 CD GLU A 62 2.456 -12.755 0.725 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.119 -13.208 -0.233 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.163 -13.372 1.772 1.00 0.00 O ATOM 0 H GLU A 62 4.617 -8.383 0.155 1.00 0.00 H new ATOM 0 HA GLU A 62 3.619 -10.480 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.046 -10.843 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.961 -9.547 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.296 -11.084 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.370 -11.204 -0.307 1.00 0.00 H new ATOM 988 N GLN A 63 1.660 -7.924 -0.874 1.00 0.00 N ATOM 989 CA GLN A 63 0.428 -7.269 -1.277 1.00 0.00 C ATOM 990 C GLN A 63 0.352 -7.174 -2.802 1.00 0.00 C ATOM 991 O GLN A 63 -0.679 -7.486 -3.397 1.00 0.00 O ATOM 992 CB GLN A 63 0.306 -5.886 -0.634 1.00 0.00 C ATOM 993 CG GLN A 63 -0.888 -5.829 0.321 1.00 0.00 C ATOM 994 CD GLN A 63 -2.204 -5.713 -0.452 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.695 -6.665 -1.037 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.744 -4.498 -0.423 1.00 0.00 N ATOM 0 H GLN A 63 2.249 -7.376 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.411 -7.870 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.222 -5.651 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.192 -5.129 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.905 -6.725 0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.780 -4.977 0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.280 -3.746 0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.622 -4.318 -0.910 1.00 0.00 H new ATOM 1005 N GLN A 64 1.456 -6.740 -3.392 1.00 0.00 N ATOM 1006 CA GLN A 64 1.528 -6.600 -4.836 1.00 0.00 C ATOM 1007 C GLN A 64 1.504 -7.975 -5.505 1.00 0.00 C ATOM 1008 O GLN A 64 0.995 -8.121 -6.616 1.00 0.00 O ATOM 1009 CB GLN A 64 2.772 -5.811 -5.249 1.00 0.00 C ATOM 1010 CG GLN A 64 2.845 -4.474 -4.508 1.00 0.00 C ATOM 1011 CD GLN A 64 4.239 -3.855 -4.630 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.703 -3.513 -5.705 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.878 -3.731 -3.470 1.00 0.00 N ATOM 0 H GLN A 64 2.308 -6.481 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 64 0.655 -6.040 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.666 -6.398 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.754 -5.634 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.102 -3.788 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.600 -4.623 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.431 -4.038 -2.606 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.815 -3.329 -3.444 1.00 0.00 H new ATOM 1022 N ARG A 65 2.060 -8.950 -4.801 1.00 0.00 N ATOM 1023 CA ARG A 65 2.109 -10.309 -5.313 1.00 0.00 C ATOM 1024 C ARG A 65 0.699 -10.898 -5.391 1.00 0.00 C ATOM 1025 O ARG A 65 0.350 -11.555 -6.370 1.00 0.00 O ATOM 1026 CB ARG A 65 2.979 -11.202 -4.425 1.00 0.00 C ATOM 1027 CG ARG A 65 2.427 -12.628 -4.373 1.00 0.00 C ATOM 1028 CD ARG A 65 3.411 -13.571 -3.680 1.00 0.00 C ATOM 1029 NE ARG A 65 2.760 -14.872 -3.409 1.00 0.00 N ATOM 1030 CZ ARG A 65 2.660 -15.863 -4.305 1.00 0.00 C ATOM 1031 NH1 ARG A 65 3.167 -15.708 -5.535 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.051 -17.010 -3.971 1.00 0.00 N ATOM 0 H ARG A 65 2.481 -8.826 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 65 2.547 -10.272 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.000 -11.217 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.022 -10.788 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.476 -12.634 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.229 -12.982 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.290 -13.719 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.757 -13.127 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 65 2.363 -15.024 -2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.629 -14.835 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.091 -16.463 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.664 -17.128 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.975 -17.764 -4.653 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.073 -10.641 -4.345 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.438 -11.138 -4.283 1.00 0.00 C ATOM 1048 C GLN A 66 -2.322 -10.385 -5.279 1.00 0.00 C ATOM 1049 O GLN A 66 -3.110 -10.996 -6.000 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.996 -11.029 -2.863 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.471 -12.162 -1.979 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.039 -12.060 -0.562 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.927 -12.797 -0.166 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -1.478 -11.107 0.178 1.00 0.00 N ATOM 0 H GLN A 66 0.220 -10.096 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.434 -12.193 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.717 -10.068 -2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.085 -11.061 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.742 -13.124 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.382 -12.124 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.739 -10.525 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.787 -10.959 1.139 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.163 -9.070 -5.288 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.937 -8.228 -6.183 1.00 0.00 C ATOM 1065 C TYR A 67 -2.837 -8.725 -7.627 1.00 0.00 C ATOM 1066 O TYR A 67 -3.697 -8.423 -8.453 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.317 -6.833 -6.093 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.766 -5.878 -7.201 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.350 -6.084 -8.500 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.589 -4.811 -6.901 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.773 -5.186 -9.543 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.012 -3.913 -7.943 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.583 -4.145 -9.213 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.983 -3.296 -10.198 1.00 0.00 O ATOM 0 H TYR A 67 -1.509 -8.567 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.990 -8.236 -5.901 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.570 -6.396 -5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.232 -6.927 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.707 -6.919 -8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.915 -4.650 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.454 -5.336 -10.564 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.655 -3.074 -7.722 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.559 -2.601 -9.817 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.779 -9.480 -7.887 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.555 -10.022 -9.216 1.00 0.00 C ATOM 1086 C LYS A 68 -2.583 -11.120 -9.494 1.00 0.00 C ATOM 1087 O LYS A 68 -3.430 -10.974 -10.374 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.105 -10.484 -9.369 1.00 0.00 C ATOM 1089 CG LYS A 68 0.844 -9.288 -9.476 1.00 0.00 C ATOM 1090 CD LYS A 68 1.705 -9.382 -10.737 1.00 0.00 C ATOM 1091 CE LYS A 68 1.529 -8.142 -11.616 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.717 -7.944 -12.477 1.00 0.00 N ATOM 0 H LYS A 68 -1.068 -9.729 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.700 -9.250 -9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.176 -11.100 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.010 -11.108 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.268 -8.363 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.485 -9.248 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.753 -9.489 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.433 -10.274 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.638 -8.251 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.376 -7.263 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.581 -7.098 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.560 -7.819 -11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.845 -8.776 -13.088 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.474 -12.196 -8.728 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.384 -13.319 -8.881 1.00 0.00 C ATOM 1108 C VAL A 69 -4.826 -12.815 -8.803 1.00 0.00 C ATOM 1109 O VAL A 69 -5.684 -13.259 -9.565 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.068 -14.393 -7.839 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.558 -14.580 -7.684 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.720 -14.061 -6.495 1.00 0.00 C ATOM 0 H VAL A 69 -1.770 -12.314 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.256 -13.785 -9.858 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.487 -15.335 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.361 -15.349 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.129 -14.883 -8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.106 -13.641 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.480 -14.840 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.344 -13.103 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.801 -14.003 -6.620 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.049 -11.895 -7.876 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.373 -11.327 -7.688 1.00 0.00 C ATOM 1124 C HIS A 70 -6.992 -11.007 -9.050 1.00 0.00 C ATOM 1125 O HIS A 70 -8.102 -11.443 -9.350 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.316 -10.110 -6.762 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.973 -10.444 -5.330 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.364 -11.539 -4.791 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.263 -9.599 -4.273 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.284 -11.371 -3.477 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.842 -10.169 -3.154 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.335 -11.529 -7.247 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.018 -12.055 -7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.577 -9.407 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.281 -9.603 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.750 -8.638 -4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.849 -12.071 -2.779 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.921 -9.778 -2.215 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.246 -10.246 -9.839 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.707 -9.863 -11.162 1.00 0.00 C ATOM 1141 C LEU A 71 -7.219 -11.102 -11.899 1.00 0.00 C ATOM 1142 O LEU A 71 -8.288 -11.069 -12.507 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.608 -9.110 -11.915 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.260 -7.719 -11.381 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -3.962 -7.202 -12.004 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -6.423 -6.746 -11.587 1.00 0.00 C ATOM 0 H LEU A 71 -5.326 -9.885 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.544 -9.169 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.704 -9.719 -11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.911 -9.012 -12.957 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.092 -7.797 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.737 -6.212 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.146 -7.883 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.076 -7.142 -13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.150 -5.765 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.646 -6.666 -12.651 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.303 -7.113 -11.058 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.433 -12.166 -11.819 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.794 -13.413 -12.470 1.00 0.00 C ATOM 1160 C ASP A 72 -8.126 -13.911 -11.906 1.00 0.00 C ATOM 1161 O ASP A 72 -9.008 -14.322 -12.659 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.740 -14.493 -12.215 1.00 0.00 C ATOM 1163 CG ASP A 72 -5.036 -15.018 -13.468 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.754 -15.552 -14.340 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.796 -14.874 -13.524 1.00 0.00 O ATOM 0 H ASP A 72 -5.548 -12.190 -11.313 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.866 -13.225 -13.541 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.988 -14.092 -11.535 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.216 -15.331 -11.706 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.231 -13.858 -10.587 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.441 -14.299 -9.913 1.00 0.00 C ATOM 1172 C LEU A 73 -10.605 -13.396 -10.324 1.00 0.00 C ATOM 1173 O LEU A 73 -11.719 -13.872 -10.539 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.218 -14.366 -8.401 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.845 -14.865 -7.947 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.836 -15.152 -6.444 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.405 -16.080 -8.765 1.00 0.00 C ATOM 0 H LEU A 73 -7.498 -13.516 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.700 -15.313 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.376 -13.371 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.980 -15.016 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.117 -14.074 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.849 -15.505 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.074 -14.239 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.579 -15.916 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.426 -16.414 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.129 -16.885 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.346 -15.807 -9.819 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.308 -12.108 -10.421 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.317 -11.134 -10.802 1.00 0.00 C ATOM 1191 C TRP A 74 -11.689 -11.386 -12.265 1.00 0.00 C ATOM 1192 O TRP A 74 -12.806 -11.090 -12.685 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.825 -9.708 -10.547 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.530 -8.646 -11.395 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.680 -8.010 -11.132 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.080 -8.119 -12.661 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.003 -7.116 -12.131 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -11.999 -7.184 -13.091 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -9.935 -8.423 -13.417 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -11.868 -6.476 -14.292 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -9.818 -7.707 -14.615 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.735 -6.762 -15.062 1.00 0.00 C ATOM 0 H TRP A 74 -9.383 -11.717 -10.242 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.213 -11.247 -10.191 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.966 -9.469 -9.493 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.754 -9.663 -10.744 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.279 -8.177 -10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -13.827 -6.515 -12.160 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.203 -9.151 -13.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.602 -5.749 -14.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.955 -7.902 -15.235 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.573 -6.251 -16.000 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.730 -11.930 -13.000 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.943 -12.225 -14.407 1.00 0.00 C ATOM 1215 C VAL A 75 -11.876 -13.431 -14.535 1.00 0.00 C ATOM 1216 O VAL A 75 -12.851 -13.388 -15.284 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.598 -12.432 -15.107 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.793 -13.026 -16.504 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.807 -11.124 -15.174 1.00 0.00 C ATOM 0 H VAL A 75 -9.804 -12.174 -12.648 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.428 -11.385 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.020 -13.143 -14.517 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.822 -13.163 -16.980 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.297 -13.989 -16.423 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.400 -12.349 -17.106 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.856 -11.299 -15.676 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.379 -10.381 -15.730 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.622 -10.758 -14.164 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.544 -14.477 -13.794 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.340 -15.692 -13.816 1.00 0.00 C ATOM 1231 C LYS A 76 -13.807 -15.340 -13.566 1.00 0.00 C ATOM 1232 O LYS A 76 -14.704 -16.088 -13.953 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.777 -16.719 -12.830 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.371 -17.160 -13.240 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.628 -17.790 -12.061 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.300 -19.093 -11.622 1.00 0.00 C ATOM 1237 NZ LYS A 76 -10.623 -19.048 -10.178 1.00 0.00 N ATOM 0 H LYS A 76 -10.734 -14.509 -13.174 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.288 -16.164 -14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.750 -16.290 -11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.436 -17.586 -12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.435 -17.877 -14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.811 -16.302 -13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.593 -17.987 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.604 -17.090 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.211 -19.252 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.641 -19.936 -11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.078 -19.940 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.748 -18.918 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.269 -18.255 -9.991 1.00 0.00 H new ATOM 1251 N SER A 77 -14.008 -14.201 -12.920 1.00 0.00 N ATOM 1252 CA SER A 77 -15.351 -13.740 -12.614 1.00 0.00 C ATOM 1253 C SER A 77 -15.907 -12.931 -13.787 1.00 0.00 C ATOM 1254 O SER A 77 -17.118 -12.889 -13.999 1.00 0.00 O ATOM 1255 CB SER A 77 -15.368 -12.901 -11.335 1.00 0.00 C ATOM 1256 OG SER A 77 -15.121 -13.691 -10.175 1.00 0.00 O ATOM 0 H SER A 77 -13.262 -13.583 -12.600 1.00 0.00 H new ATOM 0 HA SER A 77 -15.983 -14.613 -12.451 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.615 -12.116 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.335 -12.407 -11.238 1.00 0.00 H new ATOM 0 HG SER A 77 -15.138 -13.119 -9.380 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.995 -12.308 -14.520 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.379 -11.503 -15.666 1.00 0.00 C ATOM 1264 C LEU A 78 -16.172 -12.367 -16.649 1.00 0.00 C ATOM 1265 O LEU A 78 -15.689 -13.405 -17.097 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.150 -10.835 -16.287 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.531 -9.690 -15.483 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.525 -8.907 -16.329 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.614 -8.783 -14.896 1.00 0.00 C ATOM 0 H LEU A 78 -13.991 -12.345 -14.342 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.034 -10.689 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.387 -11.597 -16.443 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.426 -10.454 -17.270 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.982 -10.120 -14.645 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.100 -8.099 -15.734 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.728 -9.574 -16.657 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.030 -8.489 -17.200 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.146 -7.978 -14.329 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.211 -8.359 -15.704 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.257 -9.365 -14.236 1.00 0.00 H new ATOM 1281 N SER A 79 -17.376 -11.906 -16.955 1.00 0.00 N ATOM 1282 CA SER A 79 -18.240 -12.623 -17.876 1.00 0.00 C ATOM 1283 C SER A 79 -17.498 -12.894 -19.187 1.00 0.00 C ATOM 1284 O SER A 79 -16.340 -12.510 -19.339 1.00 0.00 O ATOM 1285 CB SER A 79 -19.527 -11.841 -18.146 1.00 0.00 C ATOM 1286 OG SER A 79 -19.515 -11.220 -19.429 1.00 0.00 O ATOM 0 H SER A 79 -17.773 -11.044 -16.581 1.00 0.00 H new ATOM 0 HA SER A 79 -18.514 -13.573 -17.418 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.382 -12.514 -18.077 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.657 -11.080 -17.376 1.00 0.00 H new ATOM 0 HG SER A 79 -20.354 -10.732 -19.564 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.215 -13.570 -20.124 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.637 -13.897 -21.416 1.00 0.00 C ATOM 1294 C PRO A 80 -17.567 -12.660 -22.314 1.00 0.00 C ATOM 1295 O PRO A 80 -16.852 -12.654 -23.315 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.529 -14.990 -21.981 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.831 -14.910 -21.201 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.590 -14.041 -19.978 1.00 0.00 C ATOM 0 HA PRO A 80 -16.606 -14.242 -21.340 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.702 -14.841 -23.047 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.065 -15.970 -21.868 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.621 -14.486 -21.820 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.159 -15.906 -20.903 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.292 -13.208 -19.939 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.718 -14.609 -19.057 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.318 -11.641 -21.922 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.349 -10.400 -22.679 1.00 0.00 C ATOM 1308 C GLN A 81 -17.343 -9.402 -22.103 1.00 0.00 C ATOM 1309 O GLN A 81 -16.671 -8.692 -22.850 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.759 -9.807 -22.700 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.780 -10.836 -23.191 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.203 -10.420 -22.812 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.512 -9.251 -22.646 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.049 -11.439 -22.686 1.00 0.00 N ATOM 0 H GLN A 81 -18.909 -11.649 -21.091 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.066 -10.617 -23.709 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.030 -9.469 -21.700 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.779 -8.931 -23.349 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.704 -10.941 -24.273 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.555 -11.811 -22.759 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.724 -12.394 -22.839 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.023 -11.266 -22.436 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.270 -9.379 -20.781 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.357 -8.480 -20.097 1.00 0.00 C ATOM 1325 C ASP A 82 -14.918 -8.938 -20.341 1.00 0.00 C ATOM 1326 O ASP A 82 -14.088 -8.163 -20.814 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.605 -8.486 -18.587 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.860 -7.736 -18.135 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.897 -7.906 -18.811 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.753 -7.010 -17.123 1.00 0.00 O ATOM 0 H ASP A 82 -17.829 -9.969 -20.165 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.521 -7.475 -20.485 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.677 -9.520 -18.250 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.739 -8.048 -18.090 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.666 -10.195 -20.008 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.342 -10.766 -20.185 1.00 0.00 C ATOM 1337 C ARG A 83 -12.864 -10.560 -21.624 1.00 0.00 C ATOM 1338 O ARG A 83 -11.709 -10.205 -21.853 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.339 -12.261 -19.863 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.006 -12.686 -19.242 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.177 -13.936 -18.378 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.158 -14.946 -18.740 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.179 -16.219 -18.323 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.168 -16.646 -17.526 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.212 -17.065 -18.703 1.00 0.00 N ATOM 0 H ARG A 83 -15.357 -10.835 -19.616 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.667 -10.257 -19.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.154 -12.490 -19.176 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.519 -12.833 -20.773 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.279 -12.881 -20.031 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.607 -11.872 -18.636 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.083 -13.675 -17.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.176 -14.350 -18.516 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.391 -14.654 -19.346 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.904 -16.002 -17.237 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.185 -17.615 -17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.459 -16.740 -19.310 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.228 -18.034 -18.385 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.776 -10.793 -22.556 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.463 -10.638 -23.966 1.00 0.00 C ATOM 1361 C ALA A 84 -12.892 -9.239 -24.206 1.00 0.00 C ATOM 1362 O ALA A 84 -12.118 -9.032 -25.140 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.716 -10.908 -24.801 1.00 0.00 C ATOM 0 H ALA A 84 -14.733 -11.088 -22.362 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.706 -11.360 -24.273 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.480 -10.791 -25.859 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.064 -11.924 -24.617 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.498 -10.201 -24.523 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.297 -8.314 -23.348 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.836 -6.941 -23.455 1.00 0.00 C ATOM 1371 C ALA A 85 -11.457 -6.817 -22.802 1.00 0.00 C ATOM 1372 O ALA A 85 -10.504 -6.366 -23.436 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.867 -6.005 -22.821 1.00 0.00 C ATOM 0 H ALA A 85 -13.940 -8.489 -22.575 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.733 -6.652 -24.501 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.521 -4.975 -22.901 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.820 -6.109 -23.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.995 -6.264 -21.770 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.395 -7.227 -21.544 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.149 -7.168 -20.798 1.00 0.00 C ATOM 1381 C TYR A 86 -8.976 -7.654 -21.652 1.00 0.00 C ATOM 1382 O TYR A 86 -7.909 -7.043 -21.652 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.325 -8.113 -19.608 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.011 -8.532 -18.947 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.200 -9.469 -19.555 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.635 -7.973 -17.742 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -6.963 -9.863 -18.932 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.398 -8.367 -17.119 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.623 -9.293 -17.745 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.455 -9.665 -17.157 1.00 0.00 O ATOM 0 H TYR A 86 -12.187 -7.601 -21.022 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.933 -6.145 -20.490 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.956 -7.629 -18.863 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.853 -9.006 -19.942 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.493 -9.907 -20.498 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.269 -7.240 -17.266 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.319 -10.595 -19.397 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.093 -7.937 -16.176 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.342 -9.176 -16.316 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.214 -8.750 -22.358 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.191 -9.325 -23.214 1.00 0.00 C ATOM 1402 C LYS A 87 -7.795 -8.307 -24.284 1.00 0.00 C ATOM 1403 O LYS A 87 -6.622 -8.199 -24.641 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.660 -10.665 -23.784 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.892 -11.829 -23.154 1.00 0.00 C ATOM 1406 CD LYS A 87 -8.576 -12.307 -21.871 1.00 0.00 C ATOM 1407 CE LYS A 87 -9.333 -13.615 -22.109 1.00 0.00 C ATOM 1408 NZ LYS A 87 -8.389 -14.751 -22.205 1.00 0.00 N ATOM 0 H LYS A 87 -10.100 -9.255 -22.354 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.293 -9.547 -22.637 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.728 -10.788 -23.601 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.518 -10.674 -24.865 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.827 -12.653 -23.864 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.871 -11.518 -22.932 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.830 -12.451 -21.089 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.267 -11.542 -21.516 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.037 -13.788 -21.295 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.918 -13.542 -23.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.922 -15.644 -22.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.824 -14.660 -23.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.757 -14.748 -21.379 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.795 -7.585 -24.767 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.566 -6.578 -25.790 1.00 0.00 C ATOM 1424 C GLU A 88 -7.368 -5.704 -25.415 1.00 0.00 C ATOM 1425 O GLU A 88 -6.583 -5.316 -26.279 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.818 -5.727 -26.012 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.753 -4.433 -25.199 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.124 -3.756 -25.134 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.922 -4.173 -24.267 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.342 -2.838 -25.953 1.00 0.00 O ATOM 0 H GLU A 88 -9.766 -7.677 -24.469 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.341 -7.085 -26.728 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.918 -5.490 -27.071 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.703 -6.295 -25.727 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.403 -4.651 -24.190 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.029 -3.753 -25.648 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.265 -5.418 -24.125 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.176 -4.596 -23.626 1.00 0.00 C ATOM 1439 C TYR A 89 -4.897 -5.419 -23.467 1.00 0.00 C ATOM 1440 O TYR A 89 -3.796 -4.870 -23.470 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.622 -4.097 -22.250 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.475 -3.908 -21.255 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.780 -2.715 -21.222 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.135 -4.929 -20.391 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.701 -2.537 -20.285 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.055 -4.751 -19.455 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.391 -3.564 -19.448 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.372 -3.395 -18.564 1.00 0.00 O ATOM 0 H TYR A 89 -7.918 -5.741 -23.411 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.962 -3.781 -24.317 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.145 -3.148 -22.371 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.338 -4.805 -21.833 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.046 -1.916 -21.898 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.679 -5.862 -20.417 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.150 -1.609 -20.247 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.779 -5.542 -18.774 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.264 -4.210 -18.030 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.083 -6.724 -23.331 1.00 0.00 N ATOM 1459 CA ILE A 90 -3.958 -7.628 -23.171 1.00 0.00 C ATOM 1460 C ILE A 90 -3.315 -7.883 -24.536 1.00 0.00 C ATOM 1461 O ILE A 90 -2.092 -7.870 -24.662 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.394 -8.905 -22.449 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.215 -8.575 -21.200 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.190 -9.791 -22.125 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.321 -8.494 -19.962 1.00 0.00 C ATOM 0 H ILE A 90 -5.997 -7.177 -23.328 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.195 -7.176 -22.538 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.040 -9.472 -23.119 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.733 -7.627 -21.341 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.980 -9.337 -21.051 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.528 -10.691 -21.612 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.683 -10.068 -23.049 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.499 -9.245 -21.482 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.929 -8.258 -19.089 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.823 -9.451 -19.810 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.573 -7.714 -20.104 1.00 0.00 H new