USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 5 LYS NZ :NH3+ -156:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.918 K(o=2,f=-4.4) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -99:sc= 0.0124 (180deg=0) USER MOD Single : A 12 CYS SG : rot 81:sc= 0.294 USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= 0.00574 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 178:sc= -0.219 (180deg=-0.221) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.537 K(o=0.54,f=-4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.026) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -175:sc=-0.00063 (180deg=-0.0801) USER MOD Single : A 36 CYS SG : rot 28:sc= -0.4 USER MOD Single : A 44 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.55) USER MOD Single : A 45 TYR OH : rot -149:sc= 0.121 USER MOD Single : A 48 MET CE :methyl 171:sc= 0 (180deg=-0.0692) USER MOD Single : A 50 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.32) USER MOD Single : A 51 SER OG : rot 153:sc= 1.28 USER MOD Single : A 52 THR OG1 : rot 160:sc= 0.565 USER MOD Single : A 53 ASN : amide:sc= 0.595 K(o=0.6,f=-3.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 72:sc= 0.687 USER MOD Single : A 60 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 67 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.114 K(o=-0.11,f=-0.63) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.819) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 17.059 0.940 7.582 1.00 0.00 N ATOM 2 CA GLY A -3 15.739 0.271 7.591 1.00 0.00 C ATOM 3 C GLY A -3 15.883 -1.243 7.544 1.00 0.00 C ATOM 4 O GLY A -3 16.761 -1.765 6.859 1.00 0.00 O ATOM 0 H1 GLY A -3 17.320 1.206 8.553 1.00 0.00 H new ATOM 0 H2 GLY A -3 17.774 0.291 7.196 1.00 0.00 H new ATOM 0 H3 GLY A -3 17.011 1.794 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.190 0.558 8.488 1.00 0.00 H new ATOM 0 HA3 GLY A -3 15.152 0.609 6.737 1.00 0.00 H new ATOM 10 N SER A -2 15.034 -1.970 8.269 1.00 0.00 N ATOM 11 CA SER A -2 15.106 -3.438 8.391 1.00 0.00 C ATOM 12 C SER A -2 14.564 -4.162 7.141 1.00 0.00 C ATOM 13 O SER A -2 13.397 -3.997 6.777 1.00 0.00 O ATOM 14 CB SER A -2 14.334 -3.901 9.636 1.00 0.00 C ATOM 15 OG SER A -2 14.838 -3.279 10.815 1.00 0.00 O ATOM 0 H SER A -2 14.265 -1.558 8.797 1.00 0.00 H new ATOM 0 HA SER A -2 16.160 -3.700 8.487 1.00 0.00 H new ATOM 0 HB2 SER A -2 13.276 -3.664 9.520 1.00 0.00 H new ATOM 0 HB3 SER A -2 14.410 -4.984 9.732 1.00 0.00 H new ATOM 0 HG SER A -2 14.328 -3.590 11.592 1.00 0.00 H new ATOM 21 N SER A -1 15.408 -4.971 6.490 1.00 0.00 N ATOM 22 CA SER A -1 15.098 -5.932 5.402 1.00 0.00 C ATOM 23 C SER A -1 14.760 -5.306 4.033 1.00 0.00 C ATOM 24 O SER A -1 15.241 -5.790 3.005 1.00 0.00 O ATOM 25 CB SER A -1 13.998 -6.928 5.818 1.00 0.00 C ATOM 26 OG SER A -1 14.349 -7.622 7.013 1.00 0.00 O ATOM 0 H SER A -1 16.402 -4.979 6.720 1.00 0.00 H new ATOM 0 HA SER A -1 16.039 -6.461 5.252 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.060 -6.394 5.968 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.832 -7.645 5.014 1.00 0.00 H new ATOM 0 HG SER A -1 13.631 -8.245 7.252 1.00 0.00 H new ATOM 32 N GLY A 0 13.958 -4.232 3.992 1.00 0.00 N ATOM 33 CA GLY A 0 13.612 -3.488 2.769 1.00 0.00 C ATOM 34 C GLY A 0 12.612 -4.193 1.842 1.00 0.00 C ATOM 35 O GLY A 0 12.481 -3.808 0.681 1.00 0.00 O ATOM 0 H GLY A 0 13.520 -3.846 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.200 -2.520 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.527 -3.292 2.210 1.00 0.00 H new ATOM 39 N SER A 1 11.913 -5.222 2.325 1.00 0.00 N ATOM 40 CA SER A 1 11.072 -6.128 1.517 1.00 0.00 C ATOM 41 C SER A 1 9.757 -5.505 0.997 1.00 0.00 C ATOM 42 O SER A 1 9.064 -6.097 0.168 1.00 0.00 O ATOM 43 CB SER A 1 10.744 -7.386 2.340 1.00 0.00 C ATOM 44 OG SER A 1 11.911 -7.951 2.931 1.00 0.00 O ATOM 0 H SER A 1 11.912 -5.461 3.317 1.00 0.00 H new ATOM 0 HA SER A 1 11.660 -6.365 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.027 -7.133 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.267 -8.126 1.698 1.00 0.00 H new ATOM 0 HG SER A 1 11.664 -8.747 3.447 1.00 0.00 H new ATOM 50 N SER A 2 9.402 -4.305 1.455 1.00 0.00 N ATOM 51 CA SER A 2 8.221 -3.524 1.063 1.00 0.00 C ATOM 52 C SER A 2 8.440 -2.783 -0.277 1.00 0.00 C ATOM 53 O SER A 2 8.367 -1.555 -0.372 1.00 0.00 O ATOM 54 CB SER A 2 7.855 -2.600 2.241 1.00 0.00 C ATOM 55 OG SER A 2 8.992 -1.916 2.766 1.00 0.00 O ATOM 0 H SER A 2 9.964 -3.819 2.153 1.00 0.00 H new ATOM 0 HA SER A 2 7.373 -4.179 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.115 -1.871 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.391 -3.190 3.032 1.00 0.00 H new ATOM 0 HG SER A 2 8.713 -1.341 3.509 1.00 0.00 H new ATOM 61 N GLY A 3 8.725 -3.538 -1.347 1.00 0.00 N ATOM 62 CA GLY A 3 9.186 -3.009 -2.641 1.00 0.00 C ATOM 63 C GLY A 3 8.148 -2.183 -3.399 1.00 0.00 C ATOM 64 O GLY A 3 8.512 -1.256 -4.117 1.00 0.00 O ATOM 0 H GLY A 3 8.640 -4.554 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.069 -2.392 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.496 -3.844 -3.270 1.00 0.00 H new ATOM 68 N ILE A 4 6.854 -2.465 -3.211 1.00 0.00 N ATOM 69 CA ILE A 4 5.753 -1.651 -3.772 1.00 0.00 C ATOM 70 C ILE A 4 5.542 -0.340 -2.991 1.00 0.00 C ATOM 71 O ILE A 4 5.266 0.703 -3.582 1.00 0.00 O ATOM 72 CB ILE A 4 4.468 -2.504 -3.899 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.304 -1.777 -4.608 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.967 -3.006 -2.531 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.588 -1.379 -6.061 1.00 0.00 C ATOM 0 H ILE A 4 6.533 -3.265 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 4 6.032 -1.338 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 4 4.769 -3.348 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.425 -2.421 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.055 -0.880 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.064 -3.600 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.737 -3.621 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.746 -2.153 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.716 -0.875 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.445 -0.707 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.805 -2.272 -6.647 1.00 0.00 H new ATOM 87 N LYS A 5 5.780 -0.359 -1.677 1.00 0.00 N ATOM 88 CA LYS A 5 5.782 0.827 -0.807 1.00 0.00 C ATOM 89 C LYS A 5 6.947 1.760 -1.177 1.00 0.00 C ATOM 90 O LYS A 5 6.768 2.970 -1.337 1.00 0.00 O ATOM 91 CB LYS A 5 5.839 0.320 0.651 1.00 0.00 C ATOM 92 CG LYS A 5 5.185 1.224 1.706 1.00 0.00 C ATOM 93 CD LYS A 5 6.008 2.447 2.143 1.00 0.00 C ATOM 94 CE LYS A 5 7.335 2.116 2.848 1.00 0.00 C ATOM 95 NZ LYS A 5 7.128 1.397 4.134 1.00 0.00 N ATOM 0 H LYS A 5 5.983 -1.222 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 5 4.881 1.427 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.360 -0.658 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.884 0.175 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.229 1.574 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.968 0.622 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.222 3.056 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.400 3.056 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.952 1.506 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.885 3.039 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.951 1.548 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.273 1.760 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.016 0.380 3.949 1.00 0.00 H new ATOM 109 N ASN A 6 8.128 1.180 -1.413 1.00 0.00 N ATOM 110 CA ASN A 6 9.301 1.881 -1.934 1.00 0.00 C ATOM 111 C ASN A 6 9.108 2.378 -3.380 1.00 0.00 C ATOM 112 O ASN A 6 9.616 3.446 -3.719 1.00 0.00 O ATOM 113 CB ASN A 6 10.517 0.950 -1.827 1.00 0.00 C ATOM 114 CG ASN A 6 11.813 1.651 -2.223 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.289 1.528 -3.345 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.414 2.409 -1.322 1.00 0.00 N ATOM 0 H ASN A 6 8.297 0.189 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 6 9.460 2.776 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.602 0.582 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.365 0.081 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.279 2.895 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.013 2.508 -0.389 1.00 0.00 H new ATOM 123 N PHE A 7 8.335 1.672 -4.219 1.00 0.00 N ATOM 124 CA PHE A 7 8.050 2.104 -5.591 1.00 0.00 C ATOM 125 C PHE A 7 7.153 3.348 -5.627 1.00 0.00 C ATOM 126 O PHE A 7 7.438 4.262 -6.399 1.00 0.00 O ATOM 127 CB PHE A 7 7.440 0.956 -6.407 1.00 0.00 C ATOM 128 CG PHE A 7 7.026 1.387 -7.801 1.00 0.00 C ATOM 129 CD1 PHE A 7 8.002 1.606 -8.792 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.673 1.654 -8.085 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.627 2.095 -10.056 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.299 2.141 -9.350 1.00 0.00 C ATOM 133 CZ PHE A 7 6.276 2.363 -10.336 1.00 0.00 C ATOM 0 H PHE A 7 7.892 0.789 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 7 8.999 2.383 -6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.163 0.144 -6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.571 0.562 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.041 1.398 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.920 1.484 -7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.378 2.265 -10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.260 2.345 -9.564 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.989 2.739 -11.307 1.00 0.00 H new ATOM 143 N LEU A 8 6.126 3.434 -4.769 1.00 0.00 N ATOM 144 CA LEU A 8 5.331 4.661 -4.638 1.00 0.00 C ATOM 145 C LEU A 8 6.190 5.829 -4.140 1.00 0.00 C ATOM 146 O LEU A 8 6.115 6.930 -4.685 1.00 0.00 O ATOM 147 CB LEU A 8 4.126 4.407 -3.714 1.00 0.00 C ATOM 148 CG LEU A 8 3.169 5.614 -3.570 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.696 6.194 -4.913 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.939 5.192 -2.755 1.00 0.00 C ATOM 0 H LEU A 8 5.829 2.672 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 8 4.955 4.942 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.563 3.555 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.493 4.129 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 8 3.736 6.397 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.029 7.036 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.559 6.532 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.165 5.425 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.262 6.040 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.425 4.378 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.255 4.857 -1.767 1.00 0.00 H new ATOM 162 N TYR A 9 7.060 5.581 -3.156 1.00 0.00 N ATOM 163 CA TYR A 9 7.993 6.586 -2.643 1.00 0.00 C ATOM 164 C TYR A 9 8.982 7.078 -3.720 1.00 0.00 C ATOM 165 O TYR A 9 9.214 8.282 -3.848 1.00 0.00 O ATOM 166 CB TYR A 9 8.715 6.008 -1.418 1.00 0.00 C ATOM 167 CG TYR A 9 9.546 7.018 -0.652 1.00 0.00 C ATOM 168 CD1 TYR A 9 10.885 7.258 -1.016 1.00 0.00 C ATOM 169 CD2 TYR A 9 8.977 7.720 0.431 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.652 8.205 -0.312 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.740 8.665 1.142 1.00 0.00 C ATOM 172 CZ TYR A 9 11.081 8.915 0.770 1.00 0.00 C ATOM 173 OH TYR A 9 11.828 9.828 1.452 1.00 0.00 O ATOM 0 H TYR A 9 7.136 4.676 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 9 7.429 7.470 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.975 5.577 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.362 5.193 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.325 6.713 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.952 7.532 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.677 8.390 -0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.301 9.199 1.972 1.00 0.00 H new ATOM 0 HH TYR A 9 11.286 10.227 2.164 1.00 0.00 H new ATOM 183 N ALA A 10 9.514 6.166 -4.541 1.00 0.00 N ATOM 184 CA ALA A 10 10.398 6.478 -5.667 1.00 0.00 C ATOM 185 C ALA A 10 9.678 7.227 -6.803 1.00 0.00 C ATOM 186 O ALA A 10 10.241 8.164 -7.366 1.00 0.00 O ATOM 187 CB ALA A 10 11.027 5.171 -6.165 1.00 0.00 C ATOM 0 H ALA A 10 9.337 5.167 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 10 11.176 7.159 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.689 5.383 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.599 4.712 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.241 4.488 -6.487 1.00 0.00 H new ATOM 193 N TRP A 11 8.422 6.879 -7.106 1.00 0.00 N ATOM 194 CA TRP A 11 7.589 7.593 -8.080 1.00 0.00 C ATOM 195 C TRP A 11 7.297 9.030 -7.636 1.00 0.00 C ATOM 196 O TRP A 11 7.434 9.969 -8.421 1.00 0.00 O ATOM 197 CB TRP A 11 6.280 6.827 -8.285 1.00 0.00 C ATOM 198 CG TRP A 11 5.329 7.513 -9.217 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.292 7.370 -10.559 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.281 8.477 -8.889 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.295 8.170 -11.087 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.643 8.879 -10.099 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.795 9.039 -7.688 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.574 9.786 -10.113 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.723 9.950 -7.691 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.113 10.325 -8.901 1.00 0.00 C ATOM 0 H TRP A 11 7.950 6.084 -6.676 1.00 0.00 H new ATOM 0 HA TRP A 11 8.137 7.650 -9.020 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.506 5.834 -8.674 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.794 6.688 -7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.943 6.728 -11.134 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.070 8.228 -12.080 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.255 8.764 -6.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.110 10.067 -11.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.367 10.363 -6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.292 11.026 -8.898 1.00 0.00 H new ATOM 217 N CYS A 12 6.964 9.211 -6.356 1.00 0.00 N ATOM 218 CA CYS A 12 6.837 10.535 -5.742 1.00 0.00 C ATOM 219 C CYS A 12 8.150 11.331 -5.865 1.00 0.00 C ATOM 220 O CYS A 12 8.123 12.488 -6.286 1.00 0.00 O ATOM 221 CB CYS A 12 6.408 10.369 -4.280 1.00 0.00 C ATOM 222 SG CYS A 12 4.711 9.733 -4.157 1.00 0.00 S ATOM 0 H CYS A 12 6.774 8.441 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 12 6.074 11.108 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.091 9.687 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.477 11.329 -3.768 1.00 0.00 H new ATOM 0 HG CYS A 12 4.717 8.444 -4.325 1.00 0.00 H new ATOM 228 N GLY A 13 9.299 10.695 -5.609 1.00 0.00 N ATOM 229 CA GLY A 13 10.634 11.303 -5.727 1.00 0.00 C ATOM 230 C GLY A 13 11.023 11.683 -7.160 1.00 0.00 C ATOM 231 O GLY A 13 11.726 12.674 -7.354 1.00 0.00 O ATOM 0 H GLY A 13 9.330 9.721 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.672 12.196 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.375 10.607 -5.333 1.00 0.00 H new ATOM 235 N LYS A 14 10.504 10.979 -8.174 1.00 0.00 N ATOM 236 CA LYS A 14 10.651 11.336 -9.600 1.00 0.00 C ATOM 237 C LYS A 14 9.844 12.597 -9.984 1.00 0.00 C ATOM 238 O LYS A 14 10.069 13.174 -11.051 1.00 0.00 O ATOM 239 CB LYS A 14 10.255 10.126 -10.472 1.00 0.00 C ATOM 240 CG LYS A 14 11.324 9.018 -10.483 1.00 0.00 C ATOM 241 CD LYS A 14 10.801 7.673 -11.019 1.00 0.00 C ATOM 242 CE LYS A 14 10.215 7.770 -12.437 1.00 0.00 C ATOM 243 NZ LYS A 14 9.765 6.443 -12.939 1.00 0.00 N ATOM 0 H LYS A 14 9.959 10.129 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 14 11.696 11.586 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.315 9.713 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.078 10.463 -11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.167 9.342 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.701 8.876 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.615 6.948 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.036 7.293 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.374 8.463 -12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.965 8.180 -13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.937 6.568 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.534 5.997 -13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.509 5.836 -12.134 1.00 0.00 H new ATOM 257 N ARG A 15 8.936 13.036 -9.102 1.00 0.00 N ATOM 258 CA ARG A 15 8.060 14.208 -9.239 1.00 0.00 C ATOM 259 C ARG A 15 8.277 15.265 -8.132 1.00 0.00 C ATOM 260 O ARG A 15 7.478 16.194 -8.008 1.00 0.00 O ATOM 261 CB ARG A 15 6.601 13.722 -9.264 1.00 0.00 C ATOM 262 CG ARG A 15 6.310 12.743 -10.415 1.00 0.00 C ATOM 263 CD ARG A 15 4.803 12.526 -10.566 1.00 0.00 C ATOM 264 NE ARG A 15 4.482 11.819 -11.818 1.00 0.00 N ATOM 265 CZ ARG A 15 3.392 11.993 -12.559 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.463 12.879 -12.281 1.00 0.00 N ATOM 267 NH2 ARG A 15 3.170 11.259 -13.621 1.00 0.00 N ATOM 0 H ARG A 15 8.784 12.551 -8.217 1.00 0.00 H new ATOM 0 HA ARG A 15 8.310 14.714 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.370 13.237 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.939 14.583 -9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.722 13.134 -11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.803 11.790 -10.223 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.430 11.953 -9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.292 13.489 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 15 5.160 11.131 -12.147 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.558 13.477 -11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.647 12.969 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.839 10.539 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.328 11.408 -14.177 1.00 0.00 H new ATOM 281 N LYS A 16 9.323 15.119 -7.303 1.00 0.00 N ATOM 282 CA LYS A 16 9.668 15.999 -6.162 1.00 0.00 C ATOM 283 C LYS A 16 8.601 16.020 -5.034 1.00 0.00 C ATOM 284 O LYS A 16 8.506 16.981 -4.265 1.00 0.00 O ATOM 285 CB LYS A 16 10.068 17.410 -6.656 1.00 0.00 C ATOM 286 CG LYS A 16 11.232 17.391 -7.661 1.00 0.00 C ATOM 287 CD LYS A 16 11.647 18.817 -8.045 1.00 0.00 C ATOM 288 CE LYS A 16 12.809 18.778 -9.047 1.00 0.00 C ATOM 289 NZ LYS A 16 13.242 20.145 -9.440 1.00 0.00 N ATOM 0 H LYS A 16 9.985 14.351 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 16 10.543 15.561 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.203 17.884 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.346 18.023 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.083 16.864 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.937 16.841 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.799 19.346 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.944 19.370 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.650 18.242 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.506 18.223 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.028 20.079 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.446 20.648 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.555 20.666 -8.596 1.00 0.00 H new ATOM 303 N MET A 17 7.792 14.960 -4.932 1.00 0.00 N ATOM 304 CA MET A 17 6.756 14.732 -3.914 1.00 0.00 C ATOM 305 C MET A 17 7.216 13.705 -2.861 1.00 0.00 C ATOM 306 O MET A 17 8.240 13.037 -3.034 1.00 0.00 O ATOM 307 CB MET A 17 5.470 14.231 -4.604 1.00 0.00 C ATOM 308 CG MET A 17 4.889 15.240 -5.601 1.00 0.00 C ATOM 309 SD MET A 17 3.214 14.855 -6.183 1.00 0.00 S ATOM 310 CE MET A 17 3.495 13.248 -6.969 1.00 0.00 C ATOM 0 H MET A 17 7.845 14.190 -5.598 1.00 0.00 H new ATOM 0 HA MET A 17 6.565 15.674 -3.400 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.684 13.298 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.721 14.008 -3.844 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.879 16.225 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.553 15.301 -6.463 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.550 12.858 -7.347 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.196 13.365 -7.795 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.908 12.553 -6.238 1.00 0.00 H new ATOM 320 N THR A 18 6.392 13.520 -1.821 1.00 0.00 N ATOM 321 CA THR A 18 6.536 12.504 -0.762 1.00 0.00 C ATOM 322 C THR A 18 5.143 11.949 -0.425 1.00 0.00 C ATOM 323 O THR A 18 4.235 12.762 -0.221 1.00 0.00 O ATOM 324 CB THR A 18 7.180 13.120 0.493 1.00 0.00 C ATOM 325 OG1 THR A 18 8.397 13.744 0.140 1.00 0.00 O ATOM 326 CG2 THR A 18 7.500 12.066 1.555 1.00 0.00 C ATOM 0 H THR A 18 5.565 14.102 -1.686 1.00 0.00 H new ATOM 0 HA THR A 18 7.183 11.700 -1.112 1.00 0.00 H new ATOM 0 HB THR A 18 6.463 13.832 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.806 14.138 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.953 12.548 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.581 11.564 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.194 11.334 1.143 1.00 0.00 H new ATOM 334 N PRO A 19 4.936 10.617 -0.370 1.00 0.00 N ATOM 335 CA PRO A 19 3.647 10.026 -0.020 1.00 0.00 C ATOM 336 C PRO A 19 3.401 10.114 1.492 1.00 0.00 C ATOM 337 O PRO A 19 4.337 10.031 2.291 1.00 0.00 O ATOM 338 CB PRO A 19 3.721 8.575 -0.499 1.00 0.00 C ATOM 339 CG PRO A 19 5.203 8.240 -0.336 1.00 0.00 C ATOM 340 CD PRO A 19 5.908 9.563 -0.640 1.00 0.00 C ATOM 0 HA PRO A 19 2.814 10.552 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.090 7.919 0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.395 8.474 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.426 7.889 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.514 7.453 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.795 9.683 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.240 9.597 -1.678 1.00 0.00 H new ATOM 348 N ALA A 20 2.133 10.258 1.881 1.00 0.00 N ATOM 349 CA ALA A 20 1.699 10.334 3.275 1.00 0.00 C ATOM 350 C ALA A 20 0.818 9.129 3.634 1.00 0.00 C ATOM 351 O ALA A 20 -0.290 8.977 3.118 1.00 0.00 O ATOM 352 CB ALA A 20 0.974 11.666 3.495 1.00 0.00 C ATOM 0 H ALA A 20 1.361 10.327 1.218 1.00 0.00 H new ATOM 0 HA ALA A 20 2.563 10.297 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.645 11.734 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.652 12.490 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.108 11.722 2.835 1.00 0.00 H new ATOM 358 N TYR A 21 1.320 8.288 4.539 1.00 0.00 N ATOM 359 CA TYR A 21 0.638 7.089 5.045 1.00 0.00 C ATOM 360 C TYR A 21 -0.100 7.368 6.369 1.00 0.00 C ATOM 361 O TYR A 21 0.283 8.247 7.146 1.00 0.00 O ATOM 362 CB TYR A 21 1.653 5.944 5.217 1.00 0.00 C ATOM 363 CG TYR A 21 2.254 5.425 3.923 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.411 6.024 3.386 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.660 4.337 3.252 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.953 5.561 2.172 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.201 3.864 2.042 1.00 0.00 C ATOM 368 CZ TYR A 21 3.340 4.491 1.486 1.00 0.00 C ATOM 369 OH TYR A 21 3.842 4.067 0.293 1.00 0.00 O ATOM 0 H TYR A 21 2.241 8.424 4.955 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.114 6.793 4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.460 6.287 5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.163 5.117 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.884 6.842 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.784 3.863 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.839 6.025 1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.747 3.023 1.539 1.00 0.00 H new ATOM 0 HH TYR A 21 4.743 4.432 0.169 1.00 0.00 H new ATOM 379 N GLU A 22 -1.147 6.589 6.637 1.00 0.00 N ATOM 380 CA GLU A 22 -2.047 6.715 7.787 1.00 0.00 C ATOM 381 C GLU A 22 -2.491 5.308 8.217 1.00 0.00 C ATOM 382 O GLU A 22 -2.734 4.458 7.363 1.00 0.00 O ATOM 383 CB GLU A 22 -3.219 7.615 7.363 1.00 0.00 C ATOM 384 CG GLU A 22 -4.161 7.993 8.512 1.00 0.00 C ATOM 385 CD GLU A 22 -5.272 8.968 8.077 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.149 9.633 7.018 1.00 0.00 O ATOM 387 OE2 GLU A 22 -6.274 9.098 8.820 1.00 0.00 O ATOM 0 H GLU A 22 -1.405 5.813 6.028 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.564 7.175 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.821 8.527 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.793 7.106 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.615 7.088 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.582 8.445 9.317 1.00 0.00 H new ATOM 394 N ILE A 23 -2.554 5.024 9.524 1.00 0.00 N ATOM 395 CA ILE A 23 -2.732 3.662 10.077 1.00 0.00 C ATOM 396 C ILE A 23 -3.758 3.641 11.223 1.00 0.00 C ATOM 397 O ILE A 23 -3.852 4.595 12.001 1.00 0.00 O ATOM 398 CB ILE A 23 -1.349 3.083 10.502 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.484 2.823 9.244 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.457 1.796 11.352 1.00 0.00 C ATOM 401 CD1 ILE A 23 0.906 2.238 9.511 1.00 0.00 C ATOM 0 H ILE A 23 -2.482 5.742 10.245 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.143 3.017 9.300 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.875 3.830 11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.025 2.143 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.366 3.763 8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.458 1.447 11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.017 2.008 12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.973 1.025 10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.428 2.095 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.475 2.924 10.139 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.806 1.279 10.019 1.00 0.00 H new ATOM 413 N ARG A 24 -4.490 2.523 11.346 1.00 0.00 N ATOM 414 CA ARG A 24 -5.420 2.212 12.440 1.00 0.00 C ATOM 415 C ARG A 24 -5.220 0.769 12.919 1.00 0.00 C ATOM 416 O ARG A 24 -5.116 -0.158 12.115 1.00 0.00 O ATOM 417 CB ARG A 24 -6.858 2.427 11.941 1.00 0.00 C ATOM 418 CG ARG A 24 -7.956 2.266 13.005 1.00 0.00 C ATOM 419 CD ARG A 24 -7.920 3.352 14.088 1.00 0.00 C ATOM 420 NE ARG A 24 -8.969 3.122 15.097 1.00 0.00 N ATOM 421 CZ ARG A 24 -9.287 3.930 16.103 1.00 0.00 C ATOM 422 NH1 ARG A 24 -8.668 5.075 16.305 1.00 0.00 N ATOM 423 NH2 ARG A 24 -10.249 3.588 16.935 1.00 0.00 N ATOM 0 H ARG A 24 -4.447 1.777 10.652 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.228 2.871 13.286 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.931 3.428 11.516 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.053 1.723 11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.930 2.283 12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.853 1.289 13.477 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.942 3.359 14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.058 4.332 13.631 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.504 2.257 15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.918 5.367 15.679 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.939 5.670 17.088 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.746 2.707 16.806 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.497 4.204 17.709 1.00 0.00 H new ATOM 437 N ALA A 25 -5.191 0.576 14.236 1.00 0.00 N ATOM 438 CA ALA A 25 -5.082 -0.733 14.888 1.00 0.00 C ATOM 439 C ALA A 25 -6.469 -1.383 15.058 1.00 0.00 C ATOM 440 O ALA A 25 -7.428 -0.710 15.439 1.00 0.00 O ATOM 441 CB ALA A 25 -4.374 -0.543 16.236 1.00 0.00 C ATOM 0 H ALA A 25 -5.244 1.347 14.901 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.497 -1.411 14.267 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.283 -1.506 16.738 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.381 -0.125 16.070 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.955 0.137 16.859 1.00 0.00 H new ATOM 447 N VAL A 26 -6.567 -2.688 14.790 1.00 0.00 N ATOM 448 CA VAL A 26 -7.807 -3.492 14.804 1.00 0.00 C ATOM 449 C VAL A 26 -7.524 -4.934 15.261 1.00 0.00 C ATOM 450 O VAL A 26 -6.373 -5.299 15.503 1.00 0.00 O ATOM 451 CB VAL A 26 -8.530 -3.476 13.427 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.049 -2.081 13.046 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.659 -4.021 12.282 1.00 0.00 C ATOM 0 H VAL A 26 -5.749 -3.246 14.545 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.481 -3.030 15.526 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.382 -4.144 13.558 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.544 -2.129 12.076 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.758 -1.739 13.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.213 -1.384 12.992 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.220 -3.983 11.348 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.759 -3.414 12.189 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.380 -5.053 12.496 1.00 0.00 H new ATOM 463 N GLY A 27 -8.568 -5.761 15.390 1.00 0.00 N ATOM 464 CA GLY A 27 -8.468 -7.185 15.740 1.00 0.00 C ATOM 465 C GLY A 27 -8.832 -7.484 17.197 1.00 0.00 C ATOM 466 O GLY A 27 -9.669 -6.807 17.797 1.00 0.00 O ATOM 0 H GLY A 27 -9.530 -5.452 15.251 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.124 -7.759 15.085 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.450 -7.527 15.551 1.00 0.00 H new ATOM 470 N ASN A 28 -8.228 -8.542 17.739 1.00 0.00 N ATOM 471 CA ASN A 28 -8.505 -9.120 19.059 1.00 0.00 C ATOM 472 C ASN A 28 -7.278 -9.028 19.994 1.00 0.00 C ATOM 473 O ASN A 28 -6.138 -8.958 19.532 1.00 0.00 O ATOM 474 CB ASN A 28 -8.958 -10.574 18.824 1.00 0.00 C ATOM 475 CG ASN A 28 -9.364 -11.292 20.105 1.00 0.00 C ATOM 476 OD1 ASN A 28 -8.545 -11.915 20.766 1.00 0.00 O ATOM 477 ND2 ASN A 28 -10.618 -11.203 20.508 1.00 0.00 N ATOM 0 H ASN A 28 -7.493 -9.047 17.244 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.290 -8.561 19.569 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.799 -10.578 18.131 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.149 -11.127 18.346 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.908 -11.655 21.375 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.296 -10.682 19.952 1.00 0.00 H new ATOM 484 N LYS A 29 -7.481 -9.096 21.315 1.00 0.00 N ATOM 485 CA LYS A 29 -6.393 -9.103 22.314 1.00 0.00 C ATOM 486 C LYS A 29 -5.368 -10.256 22.159 1.00 0.00 C ATOM 487 O LYS A 29 -4.221 -10.116 22.584 1.00 0.00 O ATOM 488 CB LYS A 29 -6.996 -9.039 23.730 1.00 0.00 C ATOM 489 CG LYS A 29 -7.851 -10.263 24.102 1.00 0.00 C ATOM 490 CD LYS A 29 -8.263 -10.251 25.581 1.00 0.00 C ATOM 491 CE LYS A 29 -9.132 -9.054 26.011 1.00 0.00 C ATOM 492 NZ LYS A 29 -10.492 -9.088 25.412 1.00 0.00 N ATOM 0 H LYS A 29 -8.411 -9.148 21.730 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.795 -8.210 22.131 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.187 -8.940 24.454 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.609 -8.142 23.812 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.744 -10.284 23.477 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.291 -11.174 23.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.807 -11.170 25.797 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.361 -10.263 26.193 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.218 -9.045 27.098 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.635 -8.128 25.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.034 -8.261 25.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.415 -9.069 24.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.980 -9.958 25.707 1.00 0.00 H new ATOM 506 N ASN A 30 -5.754 -11.363 21.511 1.00 0.00 N ATOM 507 CA ASN A 30 -4.894 -12.518 21.204 1.00 0.00 C ATOM 508 C ASN A 30 -4.312 -12.499 19.766 1.00 0.00 C ATOM 509 O ASN A 30 -3.432 -13.301 19.445 1.00 0.00 O ATOM 510 CB ASN A 30 -5.714 -13.793 21.473 1.00 0.00 C ATOM 511 CG ASN A 30 -4.869 -15.067 21.461 1.00 0.00 C ATOM 512 OD1 ASN A 30 -3.844 -15.167 22.127 1.00 0.00 O ATOM 513 ND2 ASN A 30 -5.276 -16.082 20.717 1.00 0.00 N ATOM 0 H ASN A 30 -6.709 -11.485 21.173 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.015 -12.481 21.848 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.208 -13.702 22.440 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.498 -13.878 20.721 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.737 -16.948 20.697 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.128 -15.999 20.163 1.00 0.00 H new ATOM 520 N ARG A 31 -4.778 -11.581 18.903 1.00 0.00 N ATOM 521 CA ARG A 31 -4.308 -11.371 17.522 1.00 0.00 C ATOM 522 C ARG A 31 -4.639 -9.945 17.055 1.00 0.00 C ATOM 523 O ARG A 31 -5.762 -9.663 16.627 1.00 0.00 O ATOM 524 CB ARG A 31 -4.881 -12.456 16.583 1.00 0.00 C ATOM 525 CG ARG A 31 -4.506 -12.212 15.110 1.00 0.00 C ATOM 526 CD ARG A 31 -4.800 -13.432 14.224 1.00 0.00 C ATOM 527 NE ARG A 31 -4.886 -13.079 12.790 1.00 0.00 N ATOM 528 CZ ARG A 31 -3.939 -12.547 12.022 1.00 0.00 C ATOM 529 NH1 ARG A 31 -2.727 -12.292 12.455 1.00 0.00 N ATOM 530 NH2 ARG A 31 -4.196 -12.242 10.770 1.00 0.00 N ATOM 0 H ARG A 31 -5.526 -10.936 19.159 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.223 -11.471 17.492 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.511 -13.433 16.893 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.966 -12.481 16.680 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.059 -11.351 14.734 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.447 -11.964 15.043 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.018 -14.178 14.366 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.738 -13.890 14.540 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.780 -13.266 12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.476 -12.503 13.421 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.036 -11.883 11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.124 -12.413 10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.467 -11.834 10.184 1.00 0.00 H new ATOM 544 N GLN A 32 -3.659 -9.049 17.136 1.00 0.00 N ATOM 545 CA GLN A 32 -3.753 -7.676 16.650 1.00 0.00 C ATOM 546 C GLN A 32 -3.369 -7.584 15.169 1.00 0.00 C ATOM 547 O GLN A 32 -2.575 -8.371 14.649 1.00 0.00 O ATOM 548 CB GLN A 32 -2.862 -6.770 17.513 1.00 0.00 C ATOM 549 CG GLN A 32 -3.589 -6.356 18.800 1.00 0.00 C ATOM 550 CD GLN A 32 -2.692 -5.556 19.749 1.00 0.00 C ATOM 551 OE1 GLN A 32 -1.638 -6.004 20.187 1.00 0.00 O ATOM 552 NE2 GLN A 32 -3.065 -4.344 20.113 1.00 0.00 N ATOM 0 H GLN A 32 -2.753 -9.264 17.553 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.787 -7.340 16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.939 -7.293 17.764 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.582 -5.882 16.947 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.464 -5.759 18.543 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.950 -7.248 19.312 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.938 -3.952 19.761 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.480 -3.799 20.747 1.00 0.00 H new ATOM 561 N LYS A 33 -3.961 -6.594 14.505 1.00 0.00 N ATOM 562 CA LYS A 33 -3.923 -6.342 13.059 1.00 0.00 C ATOM 563 C LYS A 33 -3.942 -4.824 12.783 1.00 0.00 C ATOM 564 O LYS A 33 -4.369 -4.032 13.633 1.00 0.00 O ATOM 565 CB LYS A 33 -5.141 -7.031 12.404 1.00 0.00 C ATOM 566 CG LYS A 33 -5.039 -8.564 12.313 1.00 0.00 C ATOM 567 CD LYS A 33 -6.378 -9.218 11.936 1.00 0.00 C ATOM 568 CE LYS A 33 -6.898 -8.773 10.560 1.00 0.00 C ATOM 569 NZ LYS A 33 -8.203 -9.411 10.237 1.00 0.00 N ATOM 0 H LYS A 33 -4.520 -5.895 14.994 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.005 -6.749 12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.036 -6.773 12.970 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.272 -6.629 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.285 -8.832 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.701 -8.961 13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.261 -10.302 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.121 -8.975 12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.008 -7.689 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.167 -9.030 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.525 -9.089 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.091 -10.445 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.906 -9.146 10.956 1.00 0.00 H new ATOM 583 N PHE A 34 -3.516 -4.411 11.588 1.00 0.00 N ATOM 584 CA PHE A 34 -3.390 -3.005 11.196 1.00 0.00 C ATOM 585 C PHE A 34 -3.980 -2.744 9.808 1.00 0.00 C ATOM 586 O PHE A 34 -3.625 -3.404 8.832 1.00 0.00 O ATOM 587 CB PHE A 34 -1.912 -2.585 11.246 1.00 0.00 C ATOM 588 CG PHE A 34 -1.313 -2.631 12.638 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.530 -1.568 13.534 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.571 -3.753 13.050 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.005 -1.629 14.838 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.042 -3.811 14.351 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.260 -2.750 15.246 1.00 0.00 C ATOM 0 H PHE A 34 -3.243 -5.059 10.849 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.961 -2.404 11.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.336 -3.237 10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.817 -1.573 10.852 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.099 -0.705 13.221 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.407 -4.572 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.174 -0.814 15.526 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.532 -4.671 14.663 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.144 -2.795 16.246 1.00 0.00 H new ATOM 603 N MET A 35 -4.847 -1.733 9.736 1.00 0.00 N ATOM 604 CA MET A 35 -5.366 -1.141 8.498 1.00 0.00 C ATOM 605 C MET A 35 -4.516 0.078 8.136 1.00 0.00 C ATOM 606 O MET A 35 -3.980 0.748 9.023 1.00 0.00 O ATOM 607 CB MET A 35 -6.831 -0.707 8.669 1.00 0.00 C ATOM 608 CG MET A 35 -7.728 -1.804 9.255 1.00 0.00 C ATOM 609 SD MET A 35 -9.510 -1.493 9.116 1.00 0.00 S ATOM 610 CE MET A 35 -9.647 0.073 10.018 1.00 0.00 C ATOM 0 H MET A 35 -5.223 -1.285 10.571 1.00 0.00 H new ATOM 0 HA MET A 35 -5.318 -1.887 7.705 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.869 0.168 9.318 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.227 -0.403 7.700 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.499 -2.745 8.755 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.478 -1.933 10.308 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.697 0.355 10.100 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.223 -0.043 11.016 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.103 0.851 9.482 1.00 0.00 H new ATOM 620 N CYS A 36 -4.415 0.399 6.849 1.00 0.00 N ATOM 621 CA CYS A 36 -3.597 1.498 6.344 1.00 0.00 C ATOM 622 C CYS A 36 -4.245 2.193 5.138 1.00 0.00 C ATOM 623 O CYS A 36 -4.954 1.571 4.346 1.00 0.00 O ATOM 624 CB CYS A 36 -2.197 0.947 6.037 1.00 0.00 C ATOM 625 SG CYS A 36 -1.062 2.297 5.608 1.00 0.00 S ATOM 0 H CYS A 36 -4.909 -0.107 6.114 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.514 2.278 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.816 0.404 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.253 0.235 5.213 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.446 3.390 6.197 1.00 0.00 H new ATOM 631 N GLU A 37 -3.972 3.486 5.003 1.00 0.00 N ATOM 632 CA GLU A 37 -4.353 4.337 3.885 1.00 0.00 C ATOM 633 C GLU A 37 -3.132 5.155 3.439 1.00 0.00 C ATOM 634 O GLU A 37 -2.284 5.496 4.266 1.00 0.00 O ATOM 635 CB GLU A 37 -5.503 5.273 4.294 1.00 0.00 C ATOM 636 CG GLU A 37 -6.794 4.525 4.646 1.00 0.00 C ATOM 637 CD GLU A 37 -7.924 5.503 4.999 1.00 0.00 C ATOM 638 OE1 GLU A 37 -8.473 6.159 4.082 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.282 5.611 6.196 1.00 0.00 O ATOM 0 H GLU A 37 -3.448 3.997 5.714 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.697 3.717 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.190 5.869 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.704 5.968 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.098 3.903 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.612 3.856 5.487 1.00 0.00 H new ATOM 646 N VAL A 38 -3.044 5.493 2.150 1.00 0.00 N ATOM 647 CA VAL A 38 -1.984 6.360 1.597 1.00 0.00 C ATOM 648 C VAL A 38 -2.552 7.405 0.636 1.00 0.00 C ATOM 649 O VAL A 38 -3.466 7.120 -0.140 1.00 0.00 O ATOM 650 CB VAL A 38 -0.840 5.545 0.949 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.251 4.877 -0.369 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.404 6.414 0.687 1.00 0.00 C ATOM 0 H VAL A 38 -3.711 5.172 1.448 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.547 6.898 2.438 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.603 4.766 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.406 4.321 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.081 4.194 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.559 5.641 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.184 5.804 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.142 7.231 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.767 6.823 1.630 1.00 0.00 H new ATOM 662 N ARG A 39 -1.994 8.616 0.713 1.00 0.00 N ATOM 663 CA ARG A 39 -2.395 9.819 -0.023 1.00 0.00 C ATOM 664 C ARG A 39 -1.158 10.570 -0.545 1.00 0.00 C ATOM 665 O ARG A 39 -0.060 10.428 -0.005 1.00 0.00 O ATOM 666 CB ARG A 39 -3.227 10.720 0.911 1.00 0.00 C ATOM 667 CG ARG A 39 -4.603 10.115 1.248 1.00 0.00 C ATOM 668 CD ARG A 39 -5.442 10.998 2.184 1.00 0.00 C ATOM 669 NE ARG A 39 -4.968 10.951 3.584 1.00 0.00 N ATOM 670 CZ ARG A 39 -4.234 11.851 4.227 1.00 0.00 C ATOM 671 NH1 ARG A 39 -3.762 12.933 3.641 1.00 0.00 N ATOM 672 NH2 ARG A 39 -3.967 11.669 5.501 1.00 0.00 N ATOM 0 H ARG A 39 -1.201 8.794 1.329 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.999 9.536 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.673 10.890 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.368 11.693 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.156 9.950 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.459 9.139 1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.413 12.028 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.483 10.676 2.145 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.238 10.127 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.957 13.105 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.202 13.598 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.323 10.844 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.404 12.353 6.007 1.00 0.00 H new ATOM 686 N VAL A 40 -1.339 11.387 -1.584 1.00 0.00 N ATOM 687 CA VAL A 40 -0.296 12.220 -2.219 1.00 0.00 C ATOM 688 C VAL A 40 -0.912 13.577 -2.581 1.00 0.00 C ATOM 689 O VAL A 40 -2.041 13.631 -3.071 1.00 0.00 O ATOM 690 CB VAL A 40 0.304 11.540 -3.480 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.437 12.382 -4.090 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.871 10.138 -3.187 1.00 0.00 C ATOM 0 H VAL A 40 -2.250 11.497 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 40 0.525 12.353 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.527 11.453 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.833 11.876 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.050 13.360 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.232 12.508 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.277 9.711 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.662 10.214 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.076 9.496 -2.808 1.00 0.00 H new ATOM 702 N GLU A 41 -0.190 14.669 -2.311 1.00 0.00 N ATOM 703 CA GLU A 41 -0.657 16.042 -2.545 1.00 0.00 C ATOM 704 C GLU A 41 -0.975 16.291 -4.033 1.00 0.00 C ATOM 705 O GLU A 41 -0.153 16.018 -4.911 1.00 0.00 O ATOM 706 CB GLU A 41 0.393 17.034 -2.014 1.00 0.00 C ATOM 707 CG GLU A 41 -0.103 18.486 -2.052 1.00 0.00 C ATOM 708 CD GLU A 41 0.921 19.436 -1.413 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.849 19.672 -0.183 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.800 19.964 -2.136 1.00 0.00 O ATOM 0 H GLU A 41 0.750 14.625 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.591 16.193 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.654 16.769 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.303 16.948 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.286 18.784 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.054 18.563 -1.525 1.00 0.00 H new ATOM 717 N GLY A 42 -2.179 16.806 -4.312 1.00 0.00 N ATOM 718 CA GLY A 42 -2.683 17.061 -5.671 1.00 0.00 C ATOM 719 C GLY A 42 -3.514 15.918 -6.272 1.00 0.00 C ATOM 720 O GLY A 42 -3.955 16.037 -7.416 1.00 0.00 O ATOM 0 H GLY A 42 -2.846 17.063 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.292 17.965 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.835 17.260 -6.327 1.00 0.00 H new ATOM 724 N PHE A 43 -3.758 14.840 -5.515 1.00 0.00 N ATOM 725 CA PHE A 43 -4.552 13.676 -5.924 1.00 0.00 C ATOM 726 C PHE A 43 -5.690 13.429 -4.921 1.00 0.00 C ATOM 727 O PHE A 43 -5.466 13.375 -3.711 1.00 0.00 O ATOM 728 CB PHE A 43 -3.636 12.447 -6.055 1.00 0.00 C ATOM 729 CG PHE A 43 -2.553 12.600 -7.109 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.325 13.203 -6.776 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.789 12.192 -8.436 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.352 13.420 -7.765 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.807 12.395 -9.422 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.592 13.016 -9.089 1.00 0.00 C ATOM 0 H PHE A 43 -3.394 14.752 -4.566 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.007 13.867 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.167 12.251 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.245 11.576 -6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.131 13.500 -5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.726 11.722 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.582 13.898 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.987 12.073 -10.437 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.157 13.183 -9.849 1.00 0.00 H new ATOM 744 N ASN A 44 -6.920 13.294 -5.430 1.00 0.00 N ATOM 745 CA ASN A 44 -8.138 13.200 -4.608 1.00 0.00 C ATOM 746 C ASN A 44 -8.417 11.791 -4.037 1.00 0.00 C ATOM 747 O ASN A 44 -9.264 11.639 -3.152 1.00 0.00 O ATOM 748 CB ASN A 44 -9.333 13.740 -5.415 1.00 0.00 C ATOM 749 CG ASN A 44 -9.670 12.894 -6.642 1.00 0.00 C ATOM 750 OD1 ASN A 44 -10.155 11.772 -6.540 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.424 13.401 -7.837 1.00 0.00 N ATOM 0 H ASN A 44 -7.102 13.246 -6.432 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.977 13.817 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.207 13.789 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.115 14.759 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.637 12.859 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.021 14.334 -7.922 1.00 0.00 H new ATOM 758 N TYR A 45 -7.712 10.763 -4.519 1.00 0.00 N ATOM 759 CA TYR A 45 -7.874 9.368 -4.095 1.00 0.00 C ATOM 760 C TYR A 45 -7.048 9.017 -2.841 1.00 0.00 C ATOM 761 O TYR A 45 -6.063 9.687 -2.515 1.00 0.00 O ATOM 762 CB TYR A 45 -7.500 8.466 -5.278 1.00 0.00 C ATOM 763 CG TYR A 45 -7.845 7.000 -5.097 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.191 6.592 -5.152 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.832 6.048 -4.865 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.528 5.236 -4.988 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.161 4.688 -4.706 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.512 4.279 -4.768 1.00 0.00 C ATOM 769 OH TYR A 45 -8.831 2.962 -4.644 1.00 0.00 O ATOM 0 H TYR A 45 -6.994 10.881 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.913 9.210 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.004 8.835 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.428 8.553 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.968 7.323 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.800 6.362 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.562 4.927 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.382 3.959 -4.537 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.192 2.526 -4.042 1.00 0.00 H new ATOM 779 N ALA A 46 -7.430 7.933 -2.162 1.00 0.00 N ATOM 780 CA ALA A 46 -6.666 7.312 -1.083 1.00 0.00 C ATOM 781 C ALA A 46 -6.641 5.786 -1.280 1.00 0.00 C ATOM 782 O ALA A 46 -7.692 5.139 -1.264 1.00 0.00 O ATOM 783 CB ALA A 46 -7.279 7.721 0.263 1.00 0.00 C ATOM 0 H ALA A 46 -8.307 7.450 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.631 7.654 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.715 7.262 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.243 8.806 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.316 7.387 0.307 1.00 0.00 H new ATOM 789 N GLY A 47 -5.446 5.216 -1.472 1.00 0.00 N ATOM 790 CA GLY A 47 -5.250 3.767 -1.610 1.00 0.00 C ATOM 791 C GLY A 47 -5.277 3.102 -0.241 1.00 0.00 C ATOM 792 O GLY A 47 -4.751 3.673 0.716 1.00 0.00 O ATOM 0 H GLY A 47 -4.580 5.751 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.031 3.345 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.298 3.566 -2.102 1.00 0.00 H new ATOM 796 N MET A 48 -5.882 1.917 -0.144 1.00 0.00 N ATOM 797 CA MET A 48 -6.198 1.242 1.126 1.00 0.00 C ATOM 798 C MET A 48 -5.592 -0.165 1.217 1.00 0.00 C ATOM 799 O MET A 48 -5.538 -0.897 0.227 1.00 0.00 O ATOM 800 CB MET A 48 -7.723 1.157 1.309 1.00 0.00 C ATOM 801 CG MET A 48 -8.422 2.521 1.218 1.00 0.00 C ATOM 802 SD MET A 48 -10.188 2.503 1.631 1.00 0.00 S ATOM 803 CE MET A 48 -10.095 2.307 3.431 1.00 0.00 C ATOM 0 H MET A 48 -6.175 1.384 -0.963 1.00 0.00 H new ATOM 0 HA MET A 48 -5.754 1.840 1.922 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.137 0.493 0.550 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.941 0.708 2.278 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.915 3.218 1.885 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.305 2.906 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.087 2.437 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.723 1.311 3.670 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.419 3.055 3.844 1.00 0.00 H new ATOM 813 N GLY A 49 -5.148 -0.547 2.418 1.00 0.00 N ATOM 814 CA GLY A 49 -4.564 -1.855 2.732 1.00 0.00 C ATOM 815 C GLY A 49 -4.844 -2.324 4.158 1.00 0.00 C ATOM 816 O GLY A 49 -5.310 -1.556 5.001 1.00 0.00 O ATOM 0 H GLY A 49 -5.187 0.070 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.953 -2.595 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.486 -1.808 2.579 1.00 0.00 H new ATOM 820 N ASN A 50 -4.535 -3.590 4.435 1.00 0.00 N ATOM 821 CA ASN A 50 -4.649 -4.212 5.758 1.00 0.00 C ATOM 822 C ASN A 50 -3.777 -5.471 5.855 1.00 0.00 C ATOM 823 O ASN A 50 -3.576 -6.178 4.867 1.00 0.00 O ATOM 824 CB ASN A 50 -6.127 -4.502 6.074 1.00 0.00 C ATOM 825 CG ASN A 50 -6.339 -5.458 7.245 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.244 -5.088 8.406 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.611 -6.719 6.964 1.00 0.00 N ATOM 0 H ASN A 50 -4.187 -4.233 3.724 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.276 -3.518 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.632 -3.561 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.602 -4.921 5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.744 -7.392 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.689 -7.020 5.992 1.00 0.00 H new ATOM 834 N SER A 51 -3.282 -5.754 7.056 1.00 0.00 N ATOM 835 CA SER A 51 -2.415 -6.906 7.357 1.00 0.00 C ATOM 836 C SER A 51 -2.251 -7.147 8.874 1.00 0.00 C ATOM 837 O SER A 51 -2.848 -6.450 9.698 1.00 0.00 O ATOM 838 CB SER A 51 -1.045 -6.720 6.678 1.00 0.00 C ATOM 839 OG SER A 51 -0.341 -7.949 6.636 1.00 0.00 O ATOM 0 H SER A 51 -3.474 -5.177 7.875 1.00 0.00 H new ATOM 0 HA SER A 51 -2.900 -7.796 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.183 -6.338 5.666 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.461 -5.978 7.222 1.00 0.00 H new ATOM 0 HG SER A 51 0.271 -7.949 5.871 1.00 0.00 H new ATOM 845 N THR A 52 -1.416 -8.126 9.248 1.00 0.00 N ATOM 846 CA THR A 52 -1.002 -8.405 10.636 1.00 0.00 C ATOM 847 C THR A 52 0.031 -7.386 11.138 1.00 0.00 C ATOM 848 O THR A 52 0.173 -7.207 12.345 1.00 0.00 O ATOM 849 CB THR A 52 -0.472 -9.843 10.747 1.00 0.00 C ATOM 850 OG1 THR A 52 -1.477 -10.735 10.304 1.00 0.00 O ATOM 851 CG2 THR A 52 -0.125 -10.252 12.178 1.00 0.00 C ATOM 0 H THR A 52 -0.996 -8.767 8.575 1.00 0.00 H new ATOM 0 HA THR A 52 -1.877 -8.306 11.279 1.00 0.00 H new ATOM 0 HB THR A 52 0.435 -9.884 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.070 -11.594 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.243 -11.278 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.646 -9.588 12.570 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.016 -10.182 12.802 1.00 0.00 H new ATOM 859 N ASN A 53 0.719 -6.680 10.232 1.00 0.00 N ATOM 860 CA ASN A 53 1.779 -5.714 10.551 1.00 0.00 C ATOM 861 C ASN A 53 1.700 -4.434 9.695 1.00 0.00 C ATOM 862 O ASN A 53 1.165 -4.429 8.585 1.00 0.00 O ATOM 863 CB ASN A 53 3.154 -6.397 10.444 1.00 0.00 C ATOM 864 CG ASN A 53 3.591 -6.639 9.001 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.048 -5.731 8.320 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.463 -7.853 8.498 1.00 0.00 N ATOM 0 H ASN A 53 0.550 -6.767 9.230 1.00 0.00 H new ATOM 0 HA ASN A 53 1.632 -5.383 11.579 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.900 -5.780 10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.122 -7.350 10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.746 -8.039 7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.081 -8.605 9.072 1.00 0.00 H new ATOM 873 N LYS A 54 2.258 -3.338 10.218 1.00 0.00 N ATOM 874 CA LYS A 54 2.171 -1.999 9.618 1.00 0.00 C ATOM 875 C LYS A 54 2.871 -1.883 8.251 1.00 0.00 C ATOM 876 O LYS A 54 2.340 -1.242 7.345 1.00 0.00 O ATOM 877 CB LYS A 54 2.745 -0.976 10.617 1.00 0.00 C ATOM 878 CG LYS A 54 1.883 -0.846 11.884 1.00 0.00 C ATOM 879 CD LYS A 54 2.433 0.249 12.807 1.00 0.00 C ATOM 880 CE LYS A 54 1.575 0.350 14.075 1.00 0.00 C ATOM 881 NZ LYS A 54 2.092 1.382 15.012 1.00 0.00 N ATOM 0 H LYS A 54 2.793 -3.355 11.086 1.00 0.00 H new ATOM 0 HA LYS A 54 1.119 -1.795 9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.755 -1.274 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.822 -0.003 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.855 -0.612 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.862 -1.798 12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.466 0.025 13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.439 1.206 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.548 0.591 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.553 -0.618 14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.485 1.420 15.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.063 1.139 15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.090 2.310 14.542 1.00 0.00 H new ATOM 895 N LYS A 55 4.030 -2.523 8.064 1.00 0.00 N ATOM 896 CA LYS A 55 4.812 -2.435 6.816 1.00 0.00 C ATOM 897 C LYS A 55 4.094 -3.109 5.633 1.00 0.00 C ATOM 898 O LYS A 55 4.050 -2.553 4.533 1.00 0.00 O ATOM 899 CB LYS A 55 6.211 -3.046 7.029 1.00 0.00 C ATOM 900 CG LYS A 55 7.238 -2.112 7.692 1.00 0.00 C ATOM 901 CD LYS A 55 6.935 -1.746 9.153 1.00 0.00 C ATOM 902 CE LYS A 55 8.117 -0.962 9.741 1.00 0.00 C ATOM 903 NZ LYS A 55 7.892 -0.600 11.167 1.00 0.00 N ATOM 0 H LYS A 55 4.457 -3.119 8.773 1.00 0.00 H new ATOM 0 HA LYS A 55 4.917 -1.380 6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.110 -3.942 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.603 -3.363 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.219 -2.585 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.301 -1.193 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.025 -1.148 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.758 -2.650 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.025 -1.559 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.277 -0.055 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.713 -0.072 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.040 -0.009 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.765 -1.466 11.729 1.00 0.00 H new ATOM 917 N ASP A 56 3.471 -4.263 5.859 1.00 0.00 N ATOM 918 CA ASP A 56 2.692 -4.973 4.839 1.00 0.00 C ATOM 919 C ASP A 56 1.319 -4.319 4.602 1.00 0.00 C ATOM 920 O ASP A 56 0.835 -4.305 3.473 1.00 0.00 O ATOM 921 CB ASP A 56 2.567 -6.445 5.239 1.00 0.00 C ATOM 922 CG ASP A 56 2.002 -7.305 4.098 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.703 -7.479 3.073 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.872 -7.822 4.249 1.00 0.00 O ATOM 0 H ASP A 56 3.491 -4.738 6.761 1.00 0.00 H new ATOM 0 HA ASP A 56 3.217 -4.910 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.546 -6.826 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.920 -6.530 6.112 1.00 0.00 H new ATOM 929 N ALA A 57 0.729 -3.689 5.624 1.00 0.00 N ATOM 930 CA ALA A 57 -0.472 -2.862 5.462 1.00 0.00 C ATOM 931 C ALA A 57 -0.195 -1.614 4.599 1.00 0.00 C ATOM 932 O ALA A 57 -0.965 -1.330 3.680 1.00 0.00 O ATOM 933 CB ALA A 57 -1.033 -2.516 6.847 1.00 0.00 C ATOM 0 H ALA A 57 1.070 -3.738 6.584 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.230 -3.426 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.926 -1.901 6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.289 -3.434 7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.283 -1.966 7.416 1.00 0.00 H new ATOM 939 N GLN A 58 0.931 -0.923 4.828 1.00 0.00 N ATOM 940 CA GLN A 58 1.409 0.162 3.959 1.00 0.00 C ATOM 941 C GLN A 58 1.702 -0.337 2.540 1.00 0.00 C ATOM 942 O GLN A 58 1.375 0.352 1.580 1.00 0.00 O ATOM 943 CB GLN A 58 2.690 0.805 4.515 1.00 0.00 C ATOM 944 CG GLN A 58 2.496 1.719 5.732 1.00 0.00 C ATOM 945 CD GLN A 58 3.804 2.367 6.197 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.905 2.019 5.784 1.00 0.00 O ATOM 947 NE2 GLN A 58 3.744 3.353 7.069 1.00 0.00 N ATOM 0 H GLN A 58 1.540 -1.102 5.627 1.00 0.00 H new ATOM 0 HA GLN A 58 0.608 0.901 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.386 0.011 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.160 1.383 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.776 2.499 5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.070 1.141 6.552 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.841 3.662 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.601 3.807 7.385 1.00 0.00 H new ATOM 956 N SER A 59 2.278 -1.529 2.380 1.00 0.00 N ATOM 957 CA SER A 59 2.542 -2.104 1.052 1.00 0.00 C ATOM 958 C SER A 59 1.249 -2.399 0.274 1.00 0.00 C ATOM 959 O SER A 59 1.194 -2.178 -0.936 1.00 0.00 O ATOM 960 CB SER A 59 3.394 -3.377 1.170 1.00 0.00 C ATOM 961 OG SER A 59 4.668 -3.102 1.739 1.00 0.00 O ATOM 0 H SER A 59 2.574 -2.121 3.156 1.00 0.00 H new ATOM 0 HA SER A 59 3.097 -1.354 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.871 -4.110 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.524 -3.822 0.183 1.00 0.00 H new ATOM 0 HG SER A 59 4.564 -2.900 2.692 1.00 0.00 H new ATOM 967 N ASN A 60 0.174 -2.813 0.954 1.00 0.00 N ATOM 968 CA ASN A 60 -1.143 -2.989 0.332 1.00 0.00 C ATOM 969 C ASN A 60 -1.813 -1.639 0.005 1.00 0.00 C ATOM 970 O ASN A 60 -2.398 -1.493 -1.070 1.00 0.00 O ATOM 971 CB ASN A 60 -2.032 -3.869 1.223 1.00 0.00 C ATOM 972 CG ASN A 60 -1.737 -5.355 1.042 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.277 -6.007 0.156 1.00 0.00 O ATOM 974 ND2 ASN A 60 -0.890 -5.937 1.869 1.00 0.00 N ATOM 0 H ASN A 60 0.192 -3.035 1.949 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.004 -3.498 -0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.882 -3.595 2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.080 -3.677 0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.684 -6.931 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.441 -5.393 2.606 1.00 0.00 H new ATOM 981 N ALA A 61 -1.670 -0.625 0.870 1.00 0.00 N ATOM 982 CA ALA A 61 -2.142 0.736 0.597 1.00 0.00 C ATOM 983 C ALA A 61 -1.421 1.352 -0.613 1.00 0.00 C ATOM 984 O ALA A 61 -2.065 1.904 -1.505 1.00 0.00 O ATOM 985 CB ALA A 61 -1.971 1.583 1.865 1.00 0.00 C ATOM 0 H ALA A 61 -1.222 -0.728 1.781 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.199 0.707 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.319 2.598 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.554 1.146 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.918 1.607 2.147 1.00 0.00 H new ATOM 991 N ALA A 62 -0.097 1.182 -0.688 1.00 0.00 N ATOM 992 CA ALA A 62 0.729 1.600 -1.816 1.00 0.00 C ATOM 993 C ALA A 62 0.339 0.875 -3.107 1.00 0.00 C ATOM 994 O ALA A 62 0.113 1.539 -4.118 1.00 0.00 O ATOM 995 CB ALA A 62 2.197 1.364 -1.455 1.00 0.00 C ATOM 0 H ALA A 62 0.440 0.737 0.056 1.00 0.00 H new ATOM 0 HA ALA A 62 0.568 2.661 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.830 1.671 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.452 1.947 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.356 0.305 -1.250 1.00 0.00 H new ATOM 1001 N ARG A 63 0.180 -0.455 -3.070 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.286 -1.256 -4.210 1.00 0.00 C ATOM 1003 C ARG A 63 -1.597 -0.706 -4.788 1.00 0.00 C ATOM 1004 O ARG A 63 -1.708 -0.574 -6.004 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.426 -2.730 -3.779 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.883 -3.702 -4.881 1.00 0.00 C ATOM 1007 CD ARG A 63 0.123 -3.861 -6.028 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.397 -4.794 -7.045 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.197 -5.144 -8.181 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.400 -4.718 -8.501 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.423 -5.944 -9.020 1.00 0.00 N ATOM 0 H ARG A 63 0.374 -1.012 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 63 0.453 -1.195 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.535 -3.071 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.137 -2.783 -2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.068 -4.679 -4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.832 -3.353 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.321 -2.891 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.072 -4.230 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.307 -5.214 -6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.907 -4.099 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.826 -5.007 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.355 -6.293 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.028 -6.216 -9.893 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.555 -0.325 -3.945 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.852 0.207 -4.377 1.00 0.00 C ATOM 1027 C ASP A 64 -3.772 1.654 -4.909 1.00 0.00 C ATOM 1028 O ASP A 64 -4.458 1.987 -5.876 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.844 0.074 -3.215 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.291 0.437 -3.587 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.733 0.131 -4.724 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.983 0.993 -2.704 1.00 0.00 O ATOM 0 H ASP A 64 -2.454 -0.376 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.200 -0.379 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.820 -0.951 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.518 0.715 -2.396 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.890 2.498 -4.353 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.664 3.853 -4.875 1.00 0.00 C ATOM 1039 C PHE A 65 -1.836 3.847 -6.170 1.00 0.00 C ATOM 1040 O PHE A 65 -2.134 4.601 -7.091 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.026 4.746 -3.805 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.035 6.221 -4.174 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.124 7.036 -3.808 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.979 6.774 -4.921 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.158 8.389 -4.189 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.010 8.130 -5.296 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.102 8.936 -4.936 1.00 0.00 C ATOM 0 H PHE A 65 -2.320 2.265 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.638 4.270 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.558 4.610 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.997 4.426 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.937 6.620 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.141 6.156 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.997 9.008 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.192 8.552 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.130 9.974 -5.233 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.845 2.961 -6.291 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.100 2.734 -7.544 1.00 0.00 C ATOM 1059 C VAL A 66 -1.045 2.228 -8.632 1.00 0.00 C ATOM 1060 O VAL A 66 -1.013 2.724 -9.755 1.00 0.00 O ATOM 1061 CB VAL A 66 1.067 1.746 -7.339 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.706 1.298 -8.662 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.149 2.404 -6.475 1.00 0.00 C ATOM 0 H VAL A 66 -0.530 2.373 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 66 0.328 3.686 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 66 0.653 0.864 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.521 0.604 -8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.956 0.804 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.095 2.168 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.973 1.706 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.516 3.301 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.727 2.673 -5.507 1.00 0.00 H new ATOM 1073 N ASN A 67 -1.949 1.305 -8.282 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.035 0.905 -9.180 1.00 0.00 C ATOM 1075 C ASN A 67 -3.896 2.108 -9.594 1.00 0.00 C ATOM 1076 O ASN A 67 -4.035 2.336 -10.791 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.870 -0.243 -8.594 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.315 -1.602 -9.008 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -3.741 -2.190 -9.994 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -2.342 -2.129 -8.292 1.00 0.00 N ATOM 0 H ASN A 67 -1.949 0.822 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.579 0.517 -10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.881 -0.169 -7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.903 -0.152 -8.930 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.942 -3.029 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.989 -1.637 -7.471 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.356 2.969 -8.676 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.015 4.245 -9.023 1.00 0.00 C ATOM 1089 C TYR A 68 -4.216 5.108 -10.015 1.00 0.00 C ATOM 1090 O TYR A 68 -4.783 5.579 -11.001 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.368 5.025 -7.748 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.585 6.517 -7.941 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.776 6.998 -8.521 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.580 7.426 -7.553 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -6.970 8.382 -8.694 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.767 8.809 -7.725 1.00 0.00 C ATOM 1097 CZ TYR A 68 -5.973 9.294 -8.281 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.179 10.638 -8.389 1.00 0.00 O ATOM 0 H TYR A 68 -4.284 2.805 -7.672 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.935 3.988 -9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.272 4.595 -7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.569 4.881 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.542 6.303 -8.834 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.661 7.058 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.882 8.747 -9.143 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.990 9.500 -7.433 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.969 11.071 -7.535 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.894 5.226 -9.850 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.035 5.945 -10.802 1.00 0.00 C ATOM 1110 C LEU A 69 -1.974 5.287 -12.195 1.00 0.00 C ATOM 1111 O LEU A 69 -1.714 5.989 -13.170 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.634 6.143 -10.207 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.550 7.008 -8.932 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.873 6.898 -8.367 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.912 8.475 -9.207 1.00 0.00 C ATOM 0 H LEU A 69 -2.390 4.829 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.492 6.921 -10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.215 5.162 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.001 6.594 -10.969 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.275 6.640 -8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.954 7.503 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.090 5.857 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.588 7.256 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.840 9.047 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.223 8.888 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.931 8.533 -9.590 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.270 3.990 -12.325 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.480 3.308 -13.624 1.00 0.00 C ATOM 1129 C VAL A 70 -3.914 3.533 -14.137 1.00 0.00 C ATOM 1130 O VAL A 70 -4.096 3.762 -15.332 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.156 1.793 -13.562 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.319 1.100 -14.928 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.721 1.530 -13.077 1.00 0.00 C ATOM 0 H VAL A 70 -2.374 3.367 -11.524 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.779 3.756 -14.328 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.873 1.380 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.080 0.041 -14.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.348 1.210 -15.271 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.645 1.558 -15.651 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.538 0.456 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.014 2.001 -13.760 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.593 1.946 -12.078 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.920 3.565 -13.246 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.322 3.890 -13.583 1.00 0.00 C ATOM 1145 C ARG A 71 -6.463 5.308 -14.179 1.00 0.00 C ATOM 1146 O ARG A 71 -7.320 5.525 -15.036 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.263 3.749 -12.364 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.325 2.346 -11.727 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.143 2.346 -10.421 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.769 1.219 -9.533 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.648 1.244 -8.205 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.901 2.316 -7.489 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.270 0.168 -7.549 1.00 0.00 N ATOM 0 H ARG A 71 -4.783 3.363 -12.256 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.620 3.163 -14.338 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.948 4.461 -11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.270 4.034 -12.670 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.769 1.645 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.314 1.995 -11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.988 3.289 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.205 2.284 -10.658 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.584 0.325 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.204 3.176 -7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.795 2.289 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.067 -0.693 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.180 0.195 -6.533 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.597 6.254 -13.782 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.525 7.628 -14.339 1.00 0.00 C ATOM 1169 C ILE A 72 -4.342 7.859 -15.303 1.00 0.00 C ATOM 1170 O ILE A 72 -4.143 8.979 -15.771 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.592 8.699 -13.220 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.336 8.736 -12.321 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.870 8.511 -12.379 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.184 10.053 -11.551 1.00 0.00 C ATOM 0 H ILE A 72 -4.908 6.088 -13.048 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.413 7.740 -14.961 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.625 9.668 -13.718 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.381 7.910 -11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.451 8.579 -12.937 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.905 9.269 -11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.746 8.610 -13.021 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.864 7.520 -11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.283 10.015 -10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.108 10.880 -12.257 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.053 10.202 -10.909 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.552 6.819 -15.602 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.456 6.805 -16.588 1.00 0.00 C ATOM 1188 C ASN A 73 -1.249 7.718 -16.234 1.00 0.00 C ATOM 1189 O ASN A 73 -0.470 8.111 -17.104 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.025 7.042 -18.003 1.00 0.00 C ATOM 1191 CG ASN A 73 -2.070 6.617 -19.120 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.369 5.614 -19.030 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -2.025 7.357 -20.215 1.00 0.00 N ATOM 0 H ASN A 73 -3.664 5.916 -15.140 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.011 5.810 -16.561 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.961 6.493 -18.107 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.261 8.100 -18.119 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.408 7.094 -20.983 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.607 8.191 -20.291 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.068 8.036 -14.946 1.00 0.00 N ATOM 1201 CA GLU A 74 0.102 8.743 -14.395 1.00 0.00 C ATOM 1202 C GLU A 74 1.271 7.794 -14.039 1.00 0.00 C ATOM 1203 O GLU A 74 2.388 8.247 -13.783 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.330 9.582 -13.181 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.239 10.764 -13.555 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.567 11.761 -14.513 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.578 12.188 -14.235 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.182 12.135 -15.539 1.00 0.00 O ATOM 0 H GLU A 74 -1.756 7.801 -14.230 1.00 0.00 H new ATOM 0 HA GLU A 74 0.487 9.402 -15.173 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.852 8.940 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.558 9.961 -12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.150 10.383 -14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.538 11.287 -12.646 1.00 0.00 H new ATOM 1215 N VAL A 75 1.031 6.478 -14.072 1.00 0.00 N ATOM 1216 CA VAL A 75 2.023 5.391 -14.004 1.00 0.00 C ATOM 1217 C VAL A 75 1.669 4.378 -15.096 1.00 0.00 C ATOM 1218 O VAL A 75 0.494 4.049 -15.262 1.00 0.00 O ATOM 1219 CB VAL A 75 2.015 4.688 -12.622 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.936 3.459 -12.571 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.523 5.599 -11.505 1.00 0.00 C ATOM 0 H VAL A 75 0.080 6.118 -14.152 1.00 0.00 H new ATOM 0 HA VAL A 75 3.021 5.805 -14.149 1.00 0.00 H new ATOM 0 HB VAL A 75 0.971 4.410 -12.480 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.888 3.009 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.613 2.731 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.961 3.763 -12.782 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.498 5.061 -10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.547 5.905 -11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.887 6.482 -11.438 1.00 0.00 H new ATOM 1231 N LYS A 76 2.660 3.872 -15.837 1.00 0.00 N ATOM 1232 CA LYS A 76 2.459 2.727 -16.735 1.00 0.00 C ATOM 1233 C LYS A 76 2.649 1.417 -15.955 1.00 0.00 C ATOM 1234 O LYS A 76 3.604 1.279 -15.191 1.00 0.00 O ATOM 1235 CB LYS A 76 3.429 2.780 -17.927 1.00 0.00 C ATOM 1236 CG LYS A 76 3.220 4.006 -18.833 1.00 0.00 C ATOM 1237 CD LYS A 76 3.924 3.815 -20.185 1.00 0.00 C ATOM 1238 CE LYS A 76 3.092 2.915 -21.115 1.00 0.00 C ATOM 1239 NZ LYS A 76 3.893 2.387 -22.247 1.00 0.00 N ATOM 0 H LYS A 76 3.612 4.238 -15.833 1.00 0.00 H new ATOM 0 HA LYS A 76 1.443 2.771 -17.127 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.453 2.785 -17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.311 1.874 -18.522 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.154 4.167 -18.993 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.607 4.898 -18.340 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.083 4.785 -20.657 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.908 3.372 -20.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.683 2.083 -20.542 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.245 3.481 -21.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.255 2.021 -22.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.477 3.150 -22.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.508 1.620 -21.909 1.00 0.00 H new ATOM 1253 N SER A 77 1.792 0.418 -16.170 1.00 0.00 N ATOM 1254 CA SER A 77 1.890 -0.888 -15.492 1.00 0.00 C ATOM 1255 C SER A 77 3.266 -1.560 -15.670 1.00 0.00 C ATOM 1256 O SER A 77 3.783 -2.162 -14.728 1.00 0.00 O ATOM 1257 CB SER A 77 0.768 -1.811 -15.981 1.00 0.00 C ATOM 1258 OG SER A 77 0.769 -1.903 -17.402 1.00 0.00 O ATOM 0 H SER A 77 1.008 0.485 -16.818 1.00 0.00 H new ATOM 0 HA SER A 77 1.777 -0.706 -14.423 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.893 -2.803 -15.548 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.195 -1.433 -15.638 1.00 0.00 H new ATOM 0 HG SER A 77 0.046 -2.498 -17.692 1.00 0.00 H new ATOM 1264 N GLU A 78 3.922 -1.335 -16.817 1.00 0.00 N ATOM 1265 CA GLU A 78 5.296 -1.766 -17.128 1.00 0.00 C ATOM 1266 C GLU A 78 6.348 -1.330 -16.083 1.00 0.00 C ATOM 1267 O GLU A 78 7.383 -1.985 -15.948 1.00 0.00 O ATOM 1268 CB GLU A 78 5.716 -1.203 -18.499 1.00 0.00 C ATOM 1269 CG GLU A 78 4.832 -1.668 -19.663 1.00 0.00 C ATOM 1270 CD GLU A 78 5.363 -1.127 -20.998 1.00 0.00 C ATOM 1271 OE1 GLU A 78 5.136 0.069 -21.298 1.00 0.00 O ATOM 1272 OE2 GLU A 78 6.004 -1.892 -21.757 1.00 0.00 O ATOM 0 H GLU A 78 3.492 -0.825 -17.589 1.00 0.00 H new ATOM 0 HA GLU A 78 5.272 -2.856 -17.125 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.697 -0.114 -18.454 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.747 -1.495 -18.700 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.804 -2.757 -19.692 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.809 -1.326 -19.508 1.00 0.00 H new ATOM 1279 N GLU A 79 6.093 -0.255 -15.326 1.00 0.00 N ATOM 1280 CA GLU A 79 6.979 0.248 -14.269 1.00 0.00 C ATOM 1281 C GLU A 79 6.727 -0.417 -12.901 1.00 0.00 C ATOM 1282 O GLU A 79 7.600 -0.393 -12.034 1.00 0.00 O ATOM 1283 CB GLU A 79 6.780 1.766 -14.102 1.00 0.00 C ATOM 1284 CG GLU A 79 7.117 2.586 -15.353 1.00 0.00 C ATOM 1285 CD GLU A 79 6.899 4.084 -15.093 1.00 0.00 C ATOM 1286 OE1 GLU A 79 7.834 4.753 -14.589 1.00 0.00 O ATOM 1287 OE2 GLU A 79 5.796 4.595 -15.398 1.00 0.00 O ATOM 0 H GLU A 79 5.245 0.302 -15.434 1.00 0.00 H new ATOM 0 HA GLU A 79 7.995 0.008 -14.582 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.743 1.957 -13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.400 2.114 -13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.153 2.409 -15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.493 2.261 -16.186 1.00 0.00 H new ATOM 1294 N VAL A 80 5.547 -1.011 -12.696 1.00 0.00 N ATOM 1295 CA VAL A 80 5.061 -1.475 -11.385 1.00 0.00 C ATOM 1296 C VAL A 80 5.683 -2.839 -11.025 1.00 0.00 C ATOM 1297 O VAL A 80 5.609 -3.757 -11.847 1.00 0.00 O ATOM 1298 CB VAL A 80 3.513 -1.561 -11.362 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.983 -1.988 -9.984 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.864 -0.215 -11.733 1.00 0.00 C ATOM 0 H VAL A 80 4.885 -1.188 -13.452 1.00 0.00 H new ATOM 0 HA VAL A 80 5.370 -0.746 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 80 3.245 -2.314 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.894 -2.036 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.383 -2.969 -9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.295 -1.262 -9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.779 -0.315 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.176 0.548 -11.020 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.177 0.076 -12.736 1.00 0.00 H new ATOM 1310 N PRO A 81 6.269 -3.011 -9.818 1.00 0.00 N ATOM 1311 CA PRO A 81 6.818 -4.289 -9.374 1.00 0.00 C ATOM 1312 C PRO A 81 5.693 -5.297 -9.094 1.00 0.00 C ATOM 1313 O PRO A 81 4.656 -4.953 -8.523 1.00 0.00 O ATOM 1314 CB PRO A 81 7.642 -3.973 -8.122 1.00 0.00 C ATOM 1315 CG PRO A 81 6.951 -2.741 -7.545 1.00 0.00 C ATOM 1316 CD PRO A 81 6.477 -1.995 -8.792 1.00 0.00 C ATOM 0 HA PRO A 81 7.443 -4.755 -10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.636 -4.804 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.685 -3.771 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.118 -3.012 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.635 -2.137 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.555 -1.449 -8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.218 -1.263 -9.113 1.00 0.00 H new ATOM 1324 N ALA A 82 5.897 -6.551 -9.507 1.00 0.00 N ATOM 1325 CA ALA A 82 4.895 -7.611 -9.392 1.00 0.00 C ATOM 1326 C ALA A 82 4.725 -8.093 -7.937 1.00 0.00 C ATOM 1327 O ALA A 82 5.686 -8.519 -7.292 1.00 0.00 O ATOM 1328 CB ALA A 82 5.280 -8.760 -10.331 1.00 0.00 C ATOM 0 H ALA A 82 6.770 -6.860 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 82 3.924 -7.214 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.540 -9.557 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.315 -8.395 -11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.260 -9.147 -10.050 1.00 0.00 H new ATOM 1334 N VAL A 83 3.485 -8.062 -7.440 1.00 0.00 N ATOM 1335 CA VAL A 83 3.095 -8.437 -6.071 1.00 0.00 C ATOM 1336 C VAL A 83 3.168 -9.952 -5.780 1.00 0.00 C ATOM 1337 O VAL A 83 3.074 -10.361 -4.623 1.00 0.00 O ATOM 1338 CB VAL A 83 1.685 -7.857 -5.801 1.00 0.00 C ATOM 1339 CG1 VAL A 83 0.521 -8.773 -6.223 1.00 0.00 C ATOM 1340 CG2 VAL A 83 1.550 -7.397 -4.355 1.00 0.00 C ATOM 0 H VAL A 83 2.689 -7.762 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 83 3.823 -8.009 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 83 1.599 -6.988 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.427 -8.285 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.581 -8.968 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.583 -9.715 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.550 -6.994 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.713 -8.243 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.290 -6.624 -4.148 1.00 0.00 H new ATOM 1350 N GLY A 84 3.336 -10.779 -6.821 1.00 0.00 N ATOM 1351 CA GLY A 84 3.329 -12.244 -6.776 1.00 0.00 C ATOM 1352 C GLY A 84 2.589 -12.844 -7.973 1.00 0.00 C ATOM 1353 O GLY A 84 2.397 -12.187 -8.999 1.00 0.00 O ATOM 0 H GLY A 84 3.488 -10.424 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.355 -12.612 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.857 -12.577 -5.852 1.00 0.00 H new ATOM 1357 N ILE A 85 2.168 -14.101 -7.841 1.00 0.00 N ATOM 1358 CA ILE A 85 1.320 -14.806 -8.823 1.00 0.00 C ATOM 1359 C ILE A 85 -0.154 -14.458 -8.547 1.00 0.00 C ATOM 1360 O ILE A 85 -0.605 -14.548 -7.403 1.00 0.00 O ATOM 1361 CB ILE A 85 1.588 -16.335 -8.781 1.00 0.00 C ATOM 1362 CG1 ILE A 85 3.074 -16.636 -9.106 1.00 0.00 C ATOM 1363 CG2 ILE A 85 0.657 -17.075 -9.766 1.00 0.00 C ATOM 1364 CD1 ILE A 85 3.465 -18.116 -9.004 1.00 0.00 C ATOM 0 H ILE A 85 2.408 -14.677 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 85 1.564 -14.480 -9.834 1.00 0.00 H new ATOM 0 HB ILE A 85 1.377 -16.694 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.289 -16.286 -10.116 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.704 -16.060 -8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.859 -18.145 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.382 -16.890 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.836 -16.712 -10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.521 -18.231 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.287 -18.470 -7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.865 -18.700 -9.703 1.00 0.00 H new ATOM 1376 N VAL A 86 -0.902 -14.062 -9.583 1.00 0.00 N ATOM 1377 CA VAL A 86 -2.299 -13.585 -9.499 1.00 0.00 C ATOM 1378 C VAL A 86 -3.100 -14.171 -10.682 1.00 0.00 C ATOM 1379 O VAL A 86 -2.629 -14.068 -11.818 1.00 0.00 O ATOM 1380 CB VAL A 86 -2.364 -12.033 -9.515 1.00 0.00 C ATOM 1381 CG1 VAL A 86 -3.807 -11.515 -9.389 1.00 0.00 C ATOM 1382 CG2 VAL A 86 -1.535 -11.393 -8.384 1.00 0.00 C ATOM 0 H VAL A 86 -0.545 -14.062 -10.538 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.733 -13.921 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.946 -11.744 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.805 -10.425 -9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.402 -11.889 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.238 -11.864 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.616 -10.308 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.912 -11.733 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.490 -11.685 -8.489 1.00 0.00 H new ATOM 1392 N PRO A 87 -4.277 -14.793 -10.452 1.00 0.00 N ATOM 1393 CA PRO A 87 -5.067 -15.439 -11.503 1.00 0.00 C ATOM 1394 C PRO A 87 -5.787 -14.415 -12.405 1.00 0.00 C ATOM 1395 O PRO A 87 -6.021 -13.279 -11.978 1.00 0.00 O ATOM 1396 CB PRO A 87 -6.066 -16.337 -10.760 1.00 0.00 C ATOM 1397 CG PRO A 87 -6.287 -15.599 -9.443 1.00 0.00 C ATOM 1398 CD PRO A 87 -4.908 -15.009 -9.154 1.00 0.00 C ATOM 0 HA PRO A 87 -4.432 -16.010 -12.181 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.995 -16.452 -11.318 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.665 -17.338 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.048 -14.824 -9.536 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.613 -16.273 -8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.993 -14.073 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.315 -15.688 -8.541 1.00 0.00 H new ATOM 1406 N PRO A 88 -6.166 -14.803 -13.640 1.00 0.00 N ATOM 1407 CA PRO A 88 -6.902 -13.947 -14.569 1.00 0.00 C ATOM 1408 C PRO A 88 -8.371 -13.765 -14.131 1.00 0.00 C ATOM 1409 O PRO A 88 -8.887 -14.585 -13.365 1.00 0.00 O ATOM 1410 CB PRO A 88 -6.798 -14.657 -15.923 1.00 0.00 C ATOM 1411 CG PRO A 88 -6.738 -16.133 -15.537 1.00 0.00 C ATOM 1412 CD PRO A 88 -5.921 -16.106 -14.247 1.00 0.00 C ATOM 0 HA PRO A 88 -6.490 -12.939 -14.608 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.657 -14.441 -16.558 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.909 -14.348 -16.473 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.732 -16.552 -15.379 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.258 -16.735 -16.309 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.224 -16.911 -13.577 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.860 -16.246 -14.455 1.00 0.00 H new ATOM 1420 N PRO A 89 -9.074 -12.730 -14.636 1.00 0.00 N ATOM 1421 CA PRO A 89 -10.488 -12.490 -14.334 1.00 0.00 C ATOM 1422 C PRO A 89 -11.430 -13.542 -14.948 1.00 0.00 C ATOM 1423 O PRO A 89 -12.584 -13.643 -14.537 1.00 0.00 O ATOM 1424 CB PRO A 89 -10.780 -11.083 -14.868 1.00 0.00 C ATOM 1425 CG PRO A 89 -9.799 -10.939 -16.030 1.00 0.00 C ATOM 1426 CD PRO A 89 -8.570 -11.693 -15.528 1.00 0.00 C ATOM 0 HA PRO A 89 -10.671 -12.570 -13.262 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.814 -10.985 -15.199 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.616 -10.321 -14.106 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.193 -11.373 -16.949 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.574 -9.894 -16.243 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.013 -12.128 -16.358 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.889 -11.024 -15.003 1.00 0.00 H new ATOM 1434 N SER A 90 -10.948 -14.359 -15.889 1.00 0.00 N ATOM 1435 CA SER A 90 -11.642 -15.538 -16.434 1.00 0.00 C ATOM 1436 C SER A 90 -11.469 -16.811 -15.572 1.00 0.00 C ATOM 1437 O SER A 90 -12.028 -17.866 -15.896 1.00 0.00 O ATOM 1438 CB SER A 90 -11.141 -15.781 -17.867 1.00 0.00 C ATOM 1439 OG SER A 90 -9.720 -15.881 -17.912 1.00 0.00 O ATOM 0 H SER A 90 -10.030 -14.215 -16.310 1.00 0.00 H new ATOM 0 HA SER A 90 -12.711 -15.326 -16.428 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.584 -16.697 -18.258 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.470 -14.966 -18.512 1.00 0.00 H new ATOM 0 HG SER A 90 -9.432 -16.037 -18.836 1.00 0.00 H new ATOM 1445 N GLY A 91 -10.711 -16.727 -14.468 1.00 0.00 N ATOM 1446 CA GLY A 91 -10.438 -17.824 -13.531 1.00 0.00 C ATOM 1447 C GLY A 91 -11.574 -18.091 -12.523 1.00 0.00 C ATOM 1448 O GLY A 91 -12.618 -17.428 -12.574 1.00 0.00 O ATOM 0 H GLY A 91 -10.254 -15.857 -14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.251 -18.735 -14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.525 -17.598 -12.981 1.00 0.00 H new ATOM 1452 N PRO A 92 -11.386 -19.065 -11.609 1.00 0.00 N ATOM 1453 CA PRO A 92 -12.382 -19.464 -10.614 1.00 0.00 C ATOM 1454 C PRO A 92 -12.546 -18.413 -9.506 1.00 0.00 C ATOM 1455 O PRO A 92 -11.687 -17.555 -9.301 1.00 0.00 O ATOM 1456 CB PRO A 92 -11.881 -20.803 -10.062 1.00 0.00 C ATOM 1457 CG PRO A 92 -10.364 -20.686 -10.188 1.00 0.00 C ATOM 1458 CD PRO A 92 -10.192 -19.894 -11.484 1.00 0.00 C ATOM 0 HA PRO A 92 -13.374 -19.556 -11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.189 -20.953 -9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.269 -21.645 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.926 -20.167 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.886 -21.664 -10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.292 -19.280 -11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.089 -20.562 -12.339 1.00 0.00 H new ATOM 1466 N SER A 93 -13.656 -18.500 -8.766 1.00 0.00 N ATOM 1467 CA SER A 93 -14.003 -17.573 -7.670 1.00 0.00 C ATOM 1468 C SER A 93 -15.090 -18.140 -6.732 1.00 0.00 C ATOM 1469 O SER A 93 -14.975 -18.045 -5.508 1.00 0.00 O ATOM 1470 CB SER A 93 -14.455 -16.222 -8.258 1.00 0.00 C ATOM 1471 OG SER A 93 -14.624 -15.234 -7.249 1.00 0.00 O ATOM 0 H SER A 93 -14.355 -19.228 -8.910 1.00 0.00 H new ATOM 0 HA SER A 93 -13.108 -17.434 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.718 -15.877 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.394 -16.356 -8.796 1.00 0.00 H new ATOM 0 HG SER A 93 -14.909 -14.392 -7.661 1.00 0.00 H new ATOM 1477 N SER A 94 -16.116 -18.803 -7.280 1.00 0.00 N ATOM 1478 CA SER A 94 -17.240 -19.391 -6.529 1.00 0.00 C ATOM 1479 C SER A 94 -17.978 -20.478 -7.344 1.00 0.00 C ATOM 1480 O SER A 94 -17.807 -20.585 -8.565 1.00 0.00 O ATOM 1481 CB SER A 94 -18.217 -18.288 -6.072 1.00 0.00 C ATOM 1482 OG SER A 94 -18.784 -17.574 -7.167 1.00 0.00 O ATOM 0 H SER A 94 -16.192 -18.951 -8.286 1.00 0.00 H new ATOM 0 HA SER A 94 -16.825 -19.880 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.016 -18.737 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.692 -17.590 -5.420 1.00 0.00 H new ATOM 0 HG SER A 94 -19.396 -16.888 -6.828 1.00 0.00 H new ATOM 1488 N GLY A 95 -18.788 -21.305 -6.666 1.00 0.00 N ATOM 1489 CA GLY A 95 -19.565 -22.402 -7.266 1.00 0.00 C ATOM 1490 C GLY A 95 -20.367 -23.195 -6.234 1.00 0.00 C ATOM 1491 O GLY A 95 -21.487 -22.756 -5.889 1.00 0.00 O ATOM 1492 OXT GLY A 95 -19.866 -24.242 -5.769 1.00 0.00 O ATOM 0 H GLY A 95 -18.925 -21.228 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.246 -21.993 -8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.888 -23.077 -7.789 1.00 0.00 H new TER 1496 GLY A 95