USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 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 69 SER OG : rot -80:sc= -1.66 USER MOD Set 1.2: A 70 ASN : amide:sc= -1.96! C(o=-3.6!,f=-6.2!) USER MOD Set 2.1: A 66 ASN : amide:sc= -6.28! C(o=-11!,f=-8.6!) USER MOD Set 2.2: A 73 GLN : amide:sc= -4.89 K(o=-11,f=-8.9!) USER MOD Set 3.1: A 31 THR OG1 : rot 153:sc= -7.75! USER MOD Set 3.2: A 39 GLN : amide:sc= -5.62! C(o=-13!,f=-16!) USER MOD Set 4.1: A 1 GLY N :NH3+ -173:sc= -21.5! (180deg=-14.4!) USER MOD Set 4.2: A 22 ASN : amide:sc= -4.73! C(o=-51!,f=-54!) USER MOD Set 4.3: A 23 ASN : amide:sc= -24.8! C(o=-51!,f=-58!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 31:sc= 0.991 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.181 K(o=-0.18,f=-0.72) USER MOD Single : A 12 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.2!) USER MOD Single : A 13 ASN : amide:sc= -2.61 K(o=-2.6,f=-6.4!) USER MOD Single : A 18 ASN : amide:sc= -9.45! C(o=-9.4!,f=-17!) USER MOD Single : A 21 SER OG : rot 31:sc= 1.05 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.17) USER MOD Single : A 33 SER OG : rot -24:sc= 0.916 USER MOD Single : A 34 SER OG : rot -31:sc= 0.538 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -2.87! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -2.34 (180deg=-3.56!) USER MOD Single : A 53 THR OG1 : rot 102:sc= -5.61! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.184) USER MOD Single : A 71 SER OG : rot -65:sc= 0.443! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -7.51! C(o=-7.5!,f=-11!) USER MOD Single : A 89 THR OG1 : rot 177:sc= -0.761 USER MOD Single : A 92 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.739 -5.410 3.789 1.00 1.00 N ATOM 2 CA GLY A 1 6.343 -6.315 2.965 1.00 1.00 C ATOM 3 C GLY A 1 6.105 -7.531 3.715 1.00 1.00 C ATOM 4 O GLY A 1 6.887 -8.450 3.585 1.00 1.00 O ATOM 0 H1 GLY A 1 6.803 -4.496 3.297 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.060 -5.334 4.573 1.00 1.00 H new ATOM 0 H3 GLY A 1 7.674 -5.667 4.164 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.433 -5.996 2.458 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.095 -6.484 2.194 1.00 1.00 H new ATOM 10 N SER A 2 4.970 -7.624 4.643 1.00 1.00 N ATOM 11 CA SER A 2 4.809 -8.901 5.416 1.00 1.00 C ATOM 12 C SER A 2 3.758 -9.728 4.833 1.00 1.00 C ATOM 13 O SER A 2 4.026 -10.848 4.375 1.00 1.00 O ATOM 14 CB SER A 2 4.538 -8.624 6.884 1.00 1.00 C ATOM 15 OG SER A 2 5.027 -9.694 7.687 1.00 1.00 O ATOM 0 H SER A 2 4.274 -6.899 4.815 1.00 1.00 H new ATOM 0 HA SER A 2 5.747 -9.453 5.354 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.017 -7.690 7.179 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.467 -8.498 7.046 1.00 1.00 H new ATOM 0 HG SER A 2 4.848 -9.503 8.631 1.00 1.00 H new ATOM 21 N GLY A 3 2.604 -9.303 4.898 1.00 1.00 N ATOM 22 CA GLY A 3 1.517 -10.075 4.397 1.00 1.00 C ATOM 23 C GLY A 3 0.345 -9.201 4.114 1.00 1.00 C ATOM 24 O GLY A 3 0.393 -8.025 4.355 1.00 1.00 O ATOM 0 H GLY A 3 2.342 -8.402 5.299 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.820 -10.593 3.487 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.241 -10.840 5.123 1.00 1.00 H new ATOM 28 N PRO A 4 -0.710 -9.755 3.594 1.00 1.00 N ATOM 29 CA PRO A 4 -1.932 -8.970 3.257 1.00 1.00 C ATOM 30 C PRO A 4 -2.381 -8.295 4.349 1.00 1.00 C ATOM 31 O PRO A 4 -3.309 -8.733 4.999 1.00 1.00 O ATOM 32 CB PRO A 4 -2.962 -10.020 2.784 1.00 1.00 C ATOM 33 CG PRO A 4 -2.374 -11.355 3.214 1.00 1.00 C ATOM 34 CD PRO A 4 -0.851 -11.154 3.285 1.00 1.00 C ATOM 0 HA PRO A 4 -1.744 -8.218 2.491 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.938 -9.851 3.240 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -3.103 -9.978 1.704 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.771 -11.661 4.182 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.630 -12.140 2.502 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.399 -11.782 4.053 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.368 -11.407 2.341 1.00 1.00 H new ATOM 42 N THR A 5 -1.805 -7.222 4.627 1.00 1.00 N ATOM 43 CA THR A 5 -2.172 -6.487 5.725 1.00 1.00 C ATOM 44 C THR A 5 -1.096 -5.651 6.211 1.00 1.00 C ATOM 45 O THR A 5 -1.368 -4.840 6.955 1.00 1.00 O ATOM 46 CB THR A 5 -2.546 -7.376 6.982 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.289 -6.634 8.193 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.699 -8.749 7.036 1.00 1.00 C ATOM 0 H THR A 5 -1.043 -6.820 4.080 1.00 1.00 H new ATOM 0 HA THR A 5 -3.026 -5.915 5.363 1.00 1.00 H new ATOM 0 HB THR A 5 -3.603 -7.629 6.893 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.417 -5.677 8.024 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.992 -9.323 7.915 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.897 -9.334 6.138 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.635 -8.518 7.091 1.00 1.00 H new ATOM 56 N TYR A 6 0.331 -6.044 5.980 1.00 1.00 N ATOM 57 CA TYR A 6 1.356 -5.321 6.720 1.00 1.00 C ATOM 58 C TYR A 6 1.136 -4.112 6.924 1.00 1.00 C ATOM 59 O TYR A 6 1.662 -3.529 7.891 1.00 1.00 O ATOM 60 CB TYR A 6 2.776 -5.451 6.321 1.00 1.00 C ATOM 61 CG TYR A 6 3.671 -5.059 7.771 1.00 1.00 C ATOM 62 CD1 TYR A 6 3.871 -6.051 8.770 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.169 -3.732 8.043 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.547 -5.740 9.960 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.839 -3.460 9.239 1.00 1.00 C ATOM 66 CZ TYR A 6 5.029 -4.456 10.183 1.00 1.00 C ATOM 67 OH TYR A 6 5.688 -4.168 11.362 1.00 1.00 O ATOM 0 H TYR A 6 0.658 -6.776 5.349 1.00 1.00 H new ATOM 0 HA TYR A 6 1.239 -5.898 7.637 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.001 -6.460 5.975 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.024 -4.772 5.505 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.499 -7.053 8.612 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.023 -2.945 7.318 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.694 -6.505 10.708 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.212 -2.464 9.429 1.00 1.00 H new ATOM 0 HH TYR A 6 5.963 -3.227 11.362 1.00 1.00 H new ATOM 77 N CYS A 7 0.335 -3.561 6.144 1.00 1.00 N ATOM 78 CA CYS A 7 0.042 -2.313 6.357 1.00 1.00 C ATOM 79 C CYS A 7 1.160 -1.409 6.511 1.00 1.00 C ATOM 80 O CYS A 7 1.162 -0.584 7.441 1.00 1.00 O ATOM 81 CB CYS A 7 -0.748 -2.243 7.596 1.00 1.00 C ATOM 82 SG CYS A 7 -1.474 -0.518 7.791 1.00 1.00 S ATOM 0 H CYS A 7 -0.119 -4.001 5.344 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.485 -1.985 5.461 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.547 -2.983 7.571 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.119 -2.482 8.453 1.00 1.00 H new ATOM 87 N TRP A 8 2.067 -1.497 5.665 1.00 1.00 N ATOM 88 CA TRP A 8 3.189 -0.524 5.744 1.00 1.00 C ATOM 89 C TRP A 8 2.547 0.775 6.184 1.00 1.00 C ATOM 90 O TRP A 8 1.765 1.306 5.409 1.00 1.00 O ATOM 91 CB TRP A 8 3.766 -0.300 4.426 1.00 1.00 C ATOM 92 CG TRP A 8 5.104 0.604 4.576 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.425 1.762 3.842 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.264 0.437 5.543 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.676 2.206 4.223 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.217 1.453 5.276 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.592 -0.508 6.609 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.404 1.546 6.001 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.788 -0.383 7.318 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.683 0.632 7.019 1.00 1.00 C ATOM 0 H TRP A 8 2.117 -2.182 4.911 1.00 1.00 H new ATOM 0 HA TRP A 8 3.972 -0.882 6.413 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.007 -1.253 3.955 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.045 0.201 3.780 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.794 2.228 3.100 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.154 2.995 3.787 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.906 -1.307 6.849 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.112 2.329 5.774 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.018 -1.084 8.107 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.603 0.717 7.578 1.00 1.00 H new ATOM 111 N ASN A 9 2.723 1.256 7.437 1.00 1.00 N ATOM 112 CA ASN A 9 1.987 2.424 7.871 1.00 1.00 C ATOM 113 C ASN A 9 1.687 3.367 6.832 1.00 1.00 C ATOM 114 O ASN A 9 0.555 3.853 6.721 1.00 1.00 O ATOM 115 CB ASN A 9 2.727 3.126 9.007 1.00 1.00 C ATOM 116 CG ASN A 9 2.993 2.145 10.142 1.00 1.00 C ATOM 117 OD1 ASN A 9 2.141 1.313 10.458 1.00 1.00 O ATOM 118 ND2 ASN A 9 4.132 2.193 10.778 1.00 1.00 N ATOM 0 H ASN A 9 3.352 0.855 8.132 1.00 1.00 H new ATOM 0 HA ASN A 9 1.025 2.044 8.214 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.669 3.535 8.641 1.00 1.00 H new ATOM 0 HB3 ASN A 9 2.136 3.966 9.372 1.00 1.00 H new ATOM 0 HD21 ASN A 9 4.319 1.540 11.539 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.835 2.883 10.514 1.00 1.00 H new ATOM 125 N GLU A 10 2.601 3.643 6.102 1.00 1.00 N ATOM 126 CA GLU A 10 2.435 4.554 5.060 1.00 1.00 C ATOM 127 C GLU A 10 1.861 5.910 5.573 1.00 1.00 C ATOM 128 O GLU A 10 0.814 6.396 5.107 1.00 1.00 O ATOM 129 CB GLU A 10 1.535 4.028 3.925 1.00 1.00 C ATOM 130 CG GLU A 10 2.300 3.197 3.026 1.00 1.00 C ATOM 131 CD GLU A 10 1.444 2.781 1.850 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.755 3.636 1.321 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.491 1.617 1.488 1.00 1.00 O ATOM 0 H GLU A 10 3.539 3.249 6.180 1.00 1.00 H new ATOM 0 HA GLU A 10 3.435 4.704 4.652 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.706 3.457 4.343 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.101 4.865 3.378 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.177 3.740 2.674 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.662 2.314 3.553 1.00 1.00 H new ATOM 140 N ALA A 11 2.604 6.520 6.456 1.00 1.00 N ATOM 141 CA ALA A 11 2.312 7.750 6.904 1.00 1.00 C ATOM 142 C ALA A 11 3.554 8.248 7.545 1.00 1.00 C ATOM 143 O ALA A 11 3.955 7.765 8.603 1.00 1.00 O ATOM 144 CB ALA A 11 1.169 7.777 7.798 1.00 1.00 C ATOM 0 H ALA A 11 3.447 6.115 6.864 1.00 1.00 H new ATOM 0 HA ALA A 11 2.005 8.397 6.083 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.986 8.801 8.124 1.00 1.00 H new ATOM 0 HB2 ALA A 11 0.290 7.400 7.276 1.00 1.00 H new ATOM 0 HB3 ALA A 11 1.372 7.150 8.667 1.00 1.00 H new ATOM 150 N ASN A 12 4.099 9.185 6.962 1.00 1.00 N ATOM 151 CA ASN A 12 5.351 9.875 7.460 1.00 1.00 C ATOM 152 C ASN A 12 6.163 10.665 6.225 1.00 1.00 C ATOM 153 O ASN A 12 7.386 10.751 6.228 1.00 1.00 O ATOM 154 CB ASN A 12 6.270 8.815 8.184 1.00 1.00 C ATOM 155 CG ASN A 12 7.750 9.176 8.100 1.00 1.00 C ATOM 156 OD1 ASN A 12 8.504 8.541 7.361 1.00 1.00 O ATOM 157 ND2 ASN A 12 8.213 10.165 8.814 1.00 1.00 N ATOM 0 H ASN A 12 3.744 9.573 6.088 1.00 1.00 H new ATOM 0 HA ASN A 12 5.069 10.648 8.175 1.00 1.00 H new ATOM 0 HB2 ASN A 12 5.976 8.738 9.231 1.00 1.00 H new ATOM 0 HB3 ASN A 12 6.112 7.834 7.736 1.00 1.00 H new ATOM 0 HD21 ASN A 12 9.201 10.414 8.761 1.00 1.00 H new ATOM 0 HD22 ASN A 12 7.587 10.690 9.425 1.00 1.00 H new ATOM 164 N ASN A 13 5.403 11.299 5.252 1.00 1.00 N ATOM 165 CA ASN A 13 6.026 12.091 4.186 1.00 1.00 C ATOM 166 C ASN A 13 4.951 12.636 3.180 1.00 1.00 C ATOM 167 O ASN A 13 3.831 12.151 3.147 1.00 1.00 O ATOM 168 CB ASN A 13 7.061 11.258 3.416 1.00 1.00 C ATOM 169 CG ASN A 13 8.406 12.025 3.257 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.925 12.151 2.151 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.979 12.541 4.307 1.00 1.00 N ATOM 0 H ASN A 13 4.385 11.261 5.209 1.00 1.00 H new ATOM 0 HA ASN A 13 6.526 12.934 4.663 1.00 1.00 H new ATOM 0 HB2 ASN A 13 7.236 10.319 3.940 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.667 11.005 2.432 1.00 1.00 H new ATOM 0 HD21 ASN A 13 9.858 13.049 4.210 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.549 12.437 5.226 1.00 1.00 H new ATOM 178 N PRO A 14 5.323 13.641 2.350 1.00 1.00 N ATOM 179 CA PRO A 14 4.431 14.232 1.308 1.00 1.00 C ATOM 180 C PRO A 14 4.593 13.585 -0.137 1.00 1.00 C ATOM 181 O PRO A 14 3.623 13.544 -0.893 1.00 1.00 O ATOM 182 CB PRO A 14 4.809 15.714 1.307 1.00 1.00 C ATOM 183 CG PRO A 14 6.066 15.775 2.156 1.00 1.00 C ATOM 184 CD PRO A 14 6.538 14.317 2.343 1.00 1.00 C ATOM 0 HA PRO A 14 3.383 14.047 1.542 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.992 16.078 0.296 1.00 1.00 H new ATOM 0 HB3 PRO A 14 4.013 16.329 1.728 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.836 16.373 1.668 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.862 16.243 3.119 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.188 13.987 1.533 1.00 1.00 H new ATOM 0 HD3 PRO A 14 7.091 14.179 3.272 1.00 1.00 H new ATOM 192 N GLY A 15 5.764 13.072 -0.482 1.00 1.00 N ATOM 193 CA GLY A 15 5.955 12.383 -1.884 1.00 1.00 C ATOM 194 C GLY A 15 5.271 11.032 -1.846 1.00 1.00 C ATOM 195 O GLY A 15 5.451 10.152 -2.682 1.00 1.00 O ATOM 0 H GLY A 15 6.596 13.083 0.108 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.529 13.003 -2.673 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.015 12.266 -2.108 1.00 1.00 H new ATOM 199 N GLY A 16 4.518 10.954 -0.901 1.00 1.00 N ATOM 200 CA GLY A 16 3.749 9.814 -0.592 1.00 1.00 C ATOM 201 C GLY A 16 3.752 9.678 0.832 1.00 1.00 C ATOM 202 O GLY A 16 4.014 10.624 1.508 1.00 1.00 O ATOM 0 H GLY A 16 4.380 11.722 -0.244 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.731 9.923 -0.966 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.169 8.926 -1.065 1.00 1.00 H new ATOM 206 N PRO A 17 3.461 8.551 1.366 1.00 1.00 N ATOM 207 CA PRO A 17 3.432 8.382 2.852 1.00 1.00 C ATOM 208 C PRO A 17 4.751 8.441 3.311 1.00 1.00 C ATOM 209 O PRO A 17 5.520 9.156 2.731 1.00 1.00 O ATOM 210 CB PRO A 17 2.852 6.960 2.937 1.00 1.00 C ATOM 211 CG PRO A 17 2.194 6.767 1.675 1.00 1.00 C ATOM 212 CD PRO A 17 3.121 7.339 0.718 1.00 1.00 C ATOM 0 HA PRO A 17 2.873 9.116 3.433 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.636 6.220 3.094 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.153 6.865 3.768 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.012 5.711 1.475 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.227 7.269 1.646 1.00 1.00 H new ATOM 0 HD2 PRO A 17 3.990 6.701 0.553 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.659 7.507 -0.255 1.00 1.00 H new ATOM 220 N ASN A 18 5.129 7.623 4.435 1.00 1.00 N ATOM 221 CA ASN A 18 6.523 7.600 4.883 1.00 1.00 C ATOM 222 C ASN A 18 7.401 7.628 3.652 1.00 1.00 C ATOM 223 O ASN A 18 8.631 7.645 3.744 1.00 1.00 O ATOM 224 CB ASN A 18 6.886 6.261 5.724 1.00 1.00 C ATOM 225 CG ASN A 18 5.648 5.541 6.213 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.872 6.088 6.952 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.441 4.306 5.842 1.00 1.00 N ATOM 0 H ASN A 18 4.490 7.034 4.969 1.00 1.00 H new ATOM 0 HA ASN A 18 6.683 8.458 5.536 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.472 5.588 5.098 1.00 1.00 H new ATOM 0 HB3 ASN A 18 7.510 6.528 6.577 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.620 3.803 6.179 1.00 1.00 H new ATOM 0 HD22 ASN A 18 6.100 3.844 5.215 1.00 1.00 H new ATOM 234 N ARG A 19 6.689 7.537 2.437 1.00 1.00 N ATOM 235 CA ARG A 19 7.256 7.478 1.234 1.00 1.00 C ATOM 236 C ARG A 19 7.634 6.232 1.203 1.00 1.00 C ATOM 237 O ARG A 19 8.715 5.927 1.638 1.00 1.00 O ATOM 238 CB ARG A 19 8.391 8.582 1.060 1.00 1.00 C ATOM 239 CG ARG A 19 7.832 9.741 0.165 1.00 1.00 C ATOM 240 CD ARG A 19 8.216 9.488 -1.361 1.00 1.00 C ATOM 241 NE ARG A 19 9.349 10.366 -1.750 1.00 1.00 N ATOM 242 CZ ARG A 19 9.425 10.926 -2.973 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.489 10.704 -3.858 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.438 11.692 -3.276 1.00 1.00 N ATOM 0 H ARG A 19 5.670 7.510 2.400 1.00 1.00 H new ATOM 0 HA ARG A 19 6.619 7.720 0.383 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.694 8.969 2.033 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.277 8.144 0.601 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.749 9.802 0.270 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.239 10.696 0.497 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.488 8.443 -1.508 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.355 9.686 -1.999 1.00 1.00 H new ATOM 0 HE ARG A 19 10.089 10.550 -1.073 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.697 10.105 -3.624 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.550 11.130 -4.783 1.00 1.00 H new ATOM 0 HH21 ARG A 19 11.170 11.866 -2.587 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.497 12.117 -4.201 1.00 1.00 H new ATOM 258 N CYS A 20 6.539 5.287 0.655 1.00 1.00 N ATOM 259 CA CYS A 20 6.683 3.785 0.566 1.00 1.00 C ATOM 260 C CYS A 20 8.148 3.681 1.012 1.00 1.00 C ATOM 261 O CYS A 20 8.995 4.301 0.384 1.00 1.00 O ATOM 262 CB CYS A 20 6.357 3.342 -0.930 1.00 1.00 C ATOM 263 SG CYS A 20 6.340 1.420 -1.312 1.00 1.00 S ATOM 0 H CYS A 20 5.639 5.626 0.315 1.00 1.00 H new ATOM 0 HA CYS A 20 6.030 3.139 1.153 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.381 3.748 -1.197 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.089 3.811 -1.588 1.00 1.00 H new ATOM 268 N SER A 21 8.436 3.047 2.064 1.00 1.00 N ATOM 269 CA SER A 21 9.889 3.103 2.597 1.00 1.00 C ATOM 270 C SER A 21 10.551 1.771 3.069 1.00 1.00 C ATOM 271 O SER A 21 11.646 1.804 3.635 1.00 1.00 O ATOM 272 CB SER A 21 9.849 4.097 3.746 1.00 1.00 C ATOM 273 OG SER A 21 10.905 3.828 4.665 1.00 1.00 O ATOM 0 H SER A 21 7.785 2.485 2.612 1.00 1.00 H new ATOM 0 HA SER A 21 10.525 3.380 1.756 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.941 5.113 3.361 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.888 4.036 4.257 1.00 1.00 H new ATOM 0 HG SER A 21 11.673 3.457 4.182 1.00 1.00 H new ATOM 279 N ASN A 22 9.947 0.657 2.827 1.00 1.00 N ATOM 280 CA ASN A 22 10.564 -0.614 3.226 1.00 1.00 C ATOM 281 C ASN A 22 9.980 -1.697 2.459 1.00 1.00 C ATOM 282 O ASN A 22 8.959 -1.539 1.865 1.00 1.00 O ATOM 283 CB ASN A 22 10.367 -0.816 4.719 1.00 1.00 C ATOM 284 CG ASN A 22 11.461 -1.653 5.325 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.504 -1.875 4.707 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.293 -2.141 6.524 1.00 1.00 N ATOM 0 H ASN A 22 9.042 0.574 2.364 1.00 1.00 H new ATOM 0 HA ASN A 22 11.635 -0.598 3.022 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.336 0.154 5.215 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.404 -1.295 4.896 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.026 -2.707 6.951 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.429 -1.956 7.034 1.00 1.00 H new ATOM 293 N ASN A 23 10.624 -2.853 2.466 1.00 1.00 N ATOM 294 CA ASN A 23 10.092 -3.922 1.751 1.00 1.00 C ATOM 295 C ASN A 23 9.727 -3.476 0.295 1.00 1.00 C ATOM 296 O ASN A 23 8.579 -3.548 -0.115 1.00 1.00 O ATOM 297 CB ASN A 23 8.839 -4.459 2.574 1.00 1.00 C ATOM 298 CG ASN A 23 8.701 -3.726 3.935 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.641 -3.309 4.314 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.737 -3.587 4.665 1.00 1.00 N ATOM 0 H ASN A 23 11.497 -3.040 2.959 1.00 1.00 H new ATOM 0 HA ASN A 23 10.813 -4.731 1.637 1.00 1.00 H new ATOM 0 HB2 ASN A 23 7.930 -4.318 1.989 1.00 1.00 H new ATOM 0 HB3 ASN A 23 8.946 -5.530 2.745 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.665 -3.122 5.570 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.638 -3.941 4.344 1.00 1.00 H new ATOM 307 N LYS A 24 10.773 -2.876 -0.433 1.00 1.00 N ATOM 308 CA LYS A 24 10.624 -2.283 -1.776 1.00 1.00 C ATOM 309 C LYS A 24 10.039 -0.962 -1.635 1.00 1.00 C ATOM 310 O LYS A 24 9.836 -0.289 -2.616 1.00 1.00 O ATOM 311 CB LYS A 24 9.829 -3.095 -2.749 1.00 1.00 C ATOM 312 CG LYS A 24 10.494 -4.396 -3.078 1.00 1.00 C ATOM 313 CD LYS A 24 9.475 -5.323 -3.925 1.00 1.00 C ATOM 314 CE LYS A 24 10.081 -5.720 -5.318 1.00 1.00 C ATOM 315 NZ LYS A 24 9.798 -4.640 -6.300 1.00 1.00 N ATOM 0 H LYS A 24 11.724 -2.811 -0.071 1.00 1.00 H new ATOM 0 HA LYS A 24 11.625 -2.241 -2.205 1.00 1.00 H new ATOM 0 HB2 LYS A 24 8.840 -3.289 -2.334 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.684 -2.522 -3.665 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.403 -4.217 -3.653 1.00 1.00 H new ATOM 0 HG3 LYS A 24 10.791 -4.907 -2.162 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.244 -6.224 -3.357 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.536 -4.791 -4.074 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.156 -5.875 -5.229 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.651 -6.661 -5.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.198 -4.898 -7.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 8.770 -4.514 -6.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.229 -3.752 -5.973 1.00 1.00 H new ATOM 329 N GLN A 25 9.786 -0.594 -0.344 1.00 1.00 N ATOM 330 CA GLN A 25 9.230 0.654 0.061 1.00 1.00 C ATOM 331 C GLN A 25 7.889 0.469 0.630 1.00 1.00 C ATOM 332 O GLN A 25 7.386 1.343 1.187 1.00 1.00 O ATOM 333 CB GLN A 25 9.231 1.708 -1.058 1.00 1.00 C ATOM 334 CG GLN A 25 10.638 2.313 -1.204 1.00 1.00 C ATOM 335 CD GLN A 25 11.039 2.435 -2.690 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.135 2.029 -3.074 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.206 2.976 -3.537 1.00 1.00 N ATOM 0 H GLN A 25 9.985 -1.210 0.444 1.00 1.00 H new ATOM 0 HA GLN A 25 9.882 1.048 0.840 1.00 1.00 H new ATOM 0 HB2 GLN A 25 8.922 1.253 -1.999 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.510 2.493 -0.831 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.665 3.297 -0.735 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.362 1.690 -0.679 1.00 1.00 H new ATOM 0 HE21 GLN A 25 9.298 3.312 -3.216 1.00 1.00 H new ATOM 0 HE22 GLN A 25 10.463 3.063 -4.520 1.00 1.00 H new ATOM 346 N CYS A 26 7.273 -0.659 0.489 1.00 1.00 N ATOM 347 CA CYS A 26 5.878 -0.784 1.078 1.00 1.00 C ATOM 348 C CYS A 26 5.850 -1.725 2.371 1.00 1.00 C ATOM 349 O CYS A 26 6.741 -1.649 3.166 1.00 1.00 O ATOM 350 CB CYS A 26 4.920 -1.136 -0.141 1.00 1.00 C ATOM 351 SG CYS A 26 4.497 0.558 -0.983 1.00 1.00 S ATOM 0 H CYS A 26 7.638 -1.485 0.014 1.00 1.00 H new ATOM 0 HA CYS A 26 5.500 0.139 1.517 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.411 -1.810 -0.843 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.016 -1.638 0.204 1.00 1.00 H new ATOM 356 N ASP A 27 4.858 -2.557 2.465 1.00 1.00 N ATOM 357 CA ASP A 27 4.638 -3.475 3.448 1.00 1.00 C ATOM 358 C ASP A 27 3.349 -3.993 3.190 1.00 1.00 C ATOM 359 O ASP A 27 2.426 -3.271 2.809 1.00 1.00 O ATOM 360 CB ASP A 27 4.890 -2.998 4.893 1.00 1.00 C ATOM 361 CG ASP A 27 5.620 -4.082 5.745 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.264 -5.241 5.639 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.522 -3.716 6.481 1.00 1.00 O ATOM 0 H ASP A 27 4.124 -2.580 1.757 1.00 1.00 H new ATOM 0 HA ASP A 27 5.390 -4.263 3.406 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.488 -2.087 4.875 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.939 -2.746 5.363 1.00 1.00 H new ATOM 368 N GLY A 28 3.271 -5.288 3.270 1.00 1.00 N ATOM 369 CA GLY A 28 2.152 -5.998 2.941 1.00 1.00 C ATOM 370 C GLY A 28 2.568 -7.421 2.178 1.00 1.00 C ATOM 371 O GLY A 28 1.794 -7.998 1.544 1.00 1.00 O ATOM 0 H GLY A 28 4.045 -5.872 3.586 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.575 -6.215 3.840 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.514 -5.402 2.289 1.00 1.00 H new ATOM 375 N ALA A 29 3.838 -7.897 2.395 1.00 1.00 N ATOM 376 CA ALA A 29 4.373 -9.225 1.838 1.00 1.00 C ATOM 377 C ALA A 29 5.793 -9.147 1.349 1.00 1.00 C ATOM 378 O ALA A 29 6.477 -10.169 1.297 1.00 1.00 O ATOM 379 CB ALA A 29 3.439 -9.841 0.721 1.00 1.00 C ATOM 0 H ALA A 29 4.526 -7.390 2.952 1.00 1.00 H new ATOM 0 HA ALA A 29 4.366 -9.899 2.694 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.867 -10.778 0.365 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.449 -10.029 1.137 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.356 -9.141 -0.110 1.00 1.00 H new ATOM 385 N ARG A 30 6.232 -7.989 0.881 1.00 1.00 N ATOM 386 CA ARG A 30 7.640 -7.924 0.254 1.00 1.00 C ATOM 387 C ARG A 30 8.760 -8.725 1.184 1.00 1.00 C ATOM 388 O ARG A 30 8.473 -9.303 2.211 1.00 1.00 O ATOM 389 CB ARG A 30 8.201 -6.379 -0.280 1.00 1.00 C ATOM 390 CG ARG A 30 7.262 -5.727 -1.260 1.00 1.00 C ATOM 391 CD ARG A 30 6.074 -5.067 -0.679 1.00 1.00 C ATOM 392 NE ARG A 30 5.292 -4.527 -1.811 1.00 1.00 N ATOM 393 CZ ARG A 30 5.704 -3.547 -2.578 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.777 -2.946 -2.331 1.00 1.00 N ATOM 395 NH2 ARG A 30 4.972 -3.171 -3.580 1.00 1.00 N ATOM 0 H ARG A 30 5.713 -7.111 0.896 1.00 1.00 H new ATOM 0 HA ARG A 30 7.517 -8.455 -0.690 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.330 -5.726 0.583 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.181 -6.493 -0.743 1.00 1.00 H new ATOM 0 HG2 ARG A 30 7.822 -4.986 -1.831 1.00 1.00 H new ATOM 0 HG3 ARG A 30 6.923 -6.484 -1.967 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.481 -5.776 -0.102 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.369 -4.269 0.003 1.00 1.00 H new ATOM 0 HE ARG A 30 4.380 -4.940 -2.006 1.00 1.00 H new ATOM 0 HH11 ARG A 30 7.340 -3.218 -1.525 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.086 -2.185 -2.936 1.00 1.00 H new ATOM 0 HH21 ARG A 30 4.084 -3.637 -3.766 1.00 1.00 H new ATOM 0 HH22 ARG A 30 5.284 -2.409 -4.182 1.00 1.00 H new ATOM 409 N THR A 31 9.898 -8.786 0.631 1.00 1.00 N ATOM 410 CA THR A 31 11.016 -9.482 1.061 1.00 1.00 C ATOM 411 C THR A 31 12.222 -8.759 0.801 1.00 1.00 C ATOM 412 O THR A 31 12.284 -8.244 -0.149 1.00 1.00 O ATOM 413 CB THR A 31 11.030 -10.678 0.019 1.00 1.00 C ATOM 414 OG1 THR A 31 11.310 -10.262 -1.255 1.00 1.00 O ATOM 415 CG2 THR A 31 9.654 -11.336 0.033 1.00 1.00 C ATOM 0 H THR A 31 10.082 -8.286 -0.239 1.00 1.00 H new ATOM 0 HA THR A 31 10.974 -9.717 2.125 1.00 1.00 H new ATOM 0 HB THR A 31 11.815 -11.374 0.313 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.726 -10.995 -1.755 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.639 -12.163 -0.677 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.441 -11.713 1.033 1.00 1.00 H new ATOM 0 HG23 THR A 31 8.897 -10.603 -0.247 1.00 1.00 H new ATOM 423 N CYS A 32 13.182 -8.643 1.639 1.00 1.00 N ATOM 424 CA CYS A 32 14.429 -7.736 1.176 1.00 1.00 C ATOM 425 C CYS A 32 15.329 -8.467 0.298 1.00 1.00 C ATOM 426 O CYS A 32 15.059 -9.565 -0.135 1.00 1.00 O ATOM 427 CB CYS A 32 15.186 -6.939 2.411 1.00 1.00 C ATOM 428 SG CYS A 32 16.458 -5.786 1.829 1.00 1.00 S ATOM 0 H CYS A 32 13.236 -9.065 2.566 1.00 1.00 H new ATOM 0 HA CYS A 32 14.010 -6.926 0.579 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.444 -6.391 2.992 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.642 -7.667 3.082 1.00 1.00 H new ATOM 433 N SER A 33 16.380 -7.870 0.073 1.00 1.00 N ATOM 434 CA SER A 33 17.449 -8.520 -0.820 1.00 1.00 C ATOM 435 C SER A 33 18.185 -9.502 -0.038 1.00 1.00 C ATOM 436 O SER A 33 19.075 -10.212 -0.505 1.00 1.00 O ATOM 437 CB SER A 33 18.266 -7.576 -1.511 1.00 1.00 C ATOM 438 OG SER A 33 19.342 -8.249 -2.156 1.00 1.00 O ATOM 0 H SER A 33 16.618 -6.948 0.438 1.00 1.00 H new ATOM 0 HA SER A 33 16.956 -9.047 -1.637 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.670 -7.036 -2.247 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.655 -6.837 -0.811 1.00 1.00 H new ATOM 0 HG SER A 33 19.521 -9.095 -1.696 1.00 1.00 H new ATOM 444 N SER A 34 17.724 -9.596 1.071 1.00 1.00 N ATOM 445 CA SER A 34 18.060 -10.482 2.071 1.00 1.00 C ATOM 446 C SER A 34 16.641 -11.169 2.545 1.00 1.00 C ATOM 447 O SER A 34 16.598 -11.841 3.575 1.00 1.00 O ATOM 448 CB SER A 34 18.671 -9.720 3.190 1.00 1.00 C ATOM 449 OG SER A 34 18.999 -10.605 4.254 1.00 1.00 O ATOM 0 H SER A 34 16.982 -8.965 1.375 1.00 1.00 H new ATOM 0 HA SER A 34 18.773 -11.240 1.747 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.567 -9.205 2.844 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.979 -8.955 3.542 1.00 1.00 H new ATOM 0 HG SER A 34 18.365 -11.352 4.265 1.00 1.00 H new ATOM 455 N SER A 35 15.456 -10.968 1.684 1.00 1.00 N ATOM 456 CA SER A 35 14.223 -11.500 1.945 1.00 1.00 C ATOM 457 C SER A 35 13.652 -10.897 3.107 1.00 1.00 C ATOM 458 O SER A 35 12.487 -11.114 3.448 1.00 1.00 O ATOM 459 CB SER A 35 14.294 -12.938 2.107 1.00 1.00 C ATOM 460 OG SER A 35 15.066 -13.501 1.056 1.00 1.00 O ATOM 0 H SER A 35 15.483 -10.412 0.829 1.00 1.00 H new ATOM 0 HA SER A 35 13.582 -11.289 1.089 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.740 -13.183 3.071 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.291 -13.364 2.103 1.00 1.00 H new ATOM 0 HG SER A 35 15.113 -14.473 1.170 1.00 1.00 H new ATOM 466 N GLY A 36 14.468 -10.132 3.739 1.00 1.00 N ATOM 467 CA GLY A 36 14.078 -9.463 4.899 1.00 1.00 C ATOM 468 C GLY A 36 12.770 -8.830 4.639 1.00 1.00 C ATOM 469 O GLY A 36 11.740 -9.300 5.106 1.00 1.00 O ATOM 0 H GLY A 36 15.432 -9.960 3.452 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.006 -10.159 5.735 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.818 -8.711 5.173 1.00 1.00 H new ATOM 473 N PHE A 37 12.800 -7.805 3.872 1.00 1.00 N ATOM 474 CA PHE A 37 11.698 -7.140 3.533 1.00 1.00 C ATOM 475 C PHE A 37 12.116 -5.929 2.730 1.00 1.00 C ATOM 476 O PHE A 37 12.191 -4.863 3.282 1.00 1.00 O ATOM 477 CB PHE A 37 10.889 -6.677 4.860 1.00 1.00 C ATOM 478 CG PHE A 37 11.881 -6.187 5.993 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.336 -4.834 6.030 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.334 -7.088 6.986 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.223 -4.421 7.041 1.00 1.00 C ATOM 482 CE2 PHE A 37 13.221 -6.653 7.980 1.00 1.00 C ATOM 483 CZ PHE A 37 13.663 -5.327 8.004 1.00 1.00 C ATOM 0 H PHE A 37 13.657 -7.426 3.469 1.00 1.00 H new ATOM 0 HA PHE A 37 11.040 -7.778 2.944 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.198 -5.874 4.606 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.289 -7.508 5.232 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.000 -4.129 5.284 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.995 -8.113 6.978 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.565 -3.397 7.071 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.565 -7.347 8.733 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.349 -5.003 8.773 1.00 1.00 H new ATOM 493 N CYS A 38 12.444 -6.056 1.289 1.00 1.00 N ATOM 494 CA CYS A 38 12.846 -4.899 0.462 1.00 1.00 C ATOM 495 C CYS A 38 12.976 -5.289 -0.939 1.00 1.00 C ATOM 496 O CYS A 38 13.672 -4.674 -1.746 1.00 1.00 O ATOM 497 CB CYS A 38 14.107 -4.200 0.986 1.00 1.00 C ATOM 498 SG CYS A 38 15.597 -4.930 0.275 1.00 1.00 S ATOM 0 H CYS A 38 12.414 -6.940 0.780 1.00 1.00 H new ATOM 0 HA CYS A 38 12.050 -4.158 0.535 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.066 -3.138 0.742 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.144 -4.276 2.073 1.00 1.00 H new ATOM 503 N GLN A 39 12.329 -6.329 -1.191 1.00 1.00 N ATOM 504 CA GLN A 39 12.283 -6.972 -2.439 1.00 1.00 C ATOM 505 C GLN A 39 11.102 -7.917 -2.441 1.00 1.00 C ATOM 506 O GLN A 39 10.681 -8.316 -1.466 1.00 1.00 O ATOM 507 CB GLN A 39 13.685 -7.683 -2.636 1.00 1.00 C ATOM 508 CG GLN A 39 13.667 -9.181 -2.408 1.00 1.00 C ATOM 509 CD GLN A 39 12.862 -9.893 -3.504 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.296 -10.961 -3.267 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.787 -9.365 -4.692 1.00 1.00 N ATOM 0 H GLN A 39 11.768 -6.803 -0.483 1.00 1.00 H new ATOM 0 HA GLN A 39 12.132 -6.294 -3.279 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.039 -7.486 -3.648 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.406 -7.233 -1.953 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.688 -9.563 -2.395 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.232 -9.399 -1.432 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.256 -8.481 -4.888 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.259 -9.836 -5.427 1.00 1.00 H new ATOM 520 N GLY A 40 10.531 -8.190 -3.601 1.00 1.00 N ATOM 521 CA GLY A 40 9.344 -9.101 -3.651 1.00 1.00 C ATOM 522 C GLY A 40 7.995 -8.450 -4.053 1.00 1.00 C ATOM 523 O GLY A 40 7.805 -8.027 -5.187 1.00 1.00 O ATOM 0 H GLY A 40 10.836 -7.823 -4.502 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.559 -9.905 -4.355 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.223 -9.560 -2.670 1.00 1.00 H new ATOM 527 N THR A 41 7.020 -8.495 -3.094 1.00 1.00 N ATOM 528 CA THR A 41 5.610 -8.010 -3.368 1.00 1.00 C ATOM 529 C THR A 41 4.831 -7.474 -2.036 1.00 1.00 C ATOM 530 O THR A 41 5.017 -8.000 -1.007 1.00 1.00 O ATOM 531 CB THR A 41 4.834 -9.286 -3.925 1.00 1.00 C ATOM 532 OG1 THR A 41 4.213 -8.960 -5.159 1.00 1.00 O ATOM 533 CG2 THR A 41 3.759 -9.791 -2.927 1.00 1.00 C ATOM 0 H THR A 41 7.167 -8.849 -2.149 1.00 1.00 H new ATOM 0 HA THR A 41 5.646 -7.166 -4.057 1.00 1.00 H new ATOM 0 HB THR A 41 5.563 -10.084 -4.065 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.737 -9.745 -5.503 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.254 -10.661 -3.346 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.236 -10.066 -1.986 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.030 -9.001 -2.747 1.00 1.00 H new ATOM 541 N SER A 42 3.915 -6.513 -2.179 1.00 1.00 N ATOM 542 CA SER A 42 3.068 -6.054 -0.992 1.00 1.00 C ATOM 543 C SER A 42 1.768 -6.512 -1.186 1.00 1.00 C ATOM 544 O SER A 42 0.905 -5.750 -1.638 1.00 1.00 O ATOM 545 CB SER A 42 2.983 -4.441 -0.783 1.00 1.00 C ATOM 546 OG SER A 42 3.060 -3.787 -2.054 1.00 1.00 O ATOM 0 H SER A 42 3.718 -6.031 -3.056 1.00 1.00 H new ATOM 0 HA SER A 42 3.555 -6.461 -0.105 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.051 -4.178 -0.283 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.796 -4.104 -0.140 1.00 1.00 H new ATOM 0 HG SER A 42 3.007 -2.817 -1.926 1.00 1.00 H new ATOM 552 N ARG A 43 1.497 -7.749 -0.832 1.00 1.00 N ATOM 553 CA ARG A 43 0.177 -8.296 -0.945 1.00 1.00 C ATOM 554 C ARG A 43 -0.605 -7.806 -2.072 1.00 1.00 C ATOM 555 O ARG A 43 -1.825 -7.723 -1.958 1.00 1.00 O ATOM 556 CB ARG A 43 -0.556 -8.145 0.402 1.00 1.00 C ATOM 557 CG ARG A 43 -0.373 -6.644 1.023 1.00 1.00 C ATOM 558 CD ARG A 43 -1.486 -5.793 0.418 1.00 1.00 C ATOM 559 NE ARG A 43 -1.370 -4.407 0.905 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.729 -3.456 0.193 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.233 -3.728 -0.985 1.00 1.00 N ATOM 562 NH2 ARG A 43 -0.610 -2.253 0.682 1.00 1.00 N ATOM 0 H ARG A 43 2.190 -8.398 -0.459 1.00 1.00 H new ATOM 0 HA ARG A 43 0.296 -9.354 -1.177 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.617 -8.356 0.265 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -0.174 -8.881 1.109 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.444 -6.662 2.111 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.607 -6.237 0.774 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.422 -5.813 -0.670 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.459 -6.204 0.688 1.00 1.00 H new ATOM 0 HE ARG A 43 -1.785 -4.160 1.803 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -0.328 -4.666 -1.374 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.250 -3.002 -1.515 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.000 -2.034 1.599 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.127 -1.531 0.148 1.00 1.00 H new ATOM 576 N LYS A 44 0.106 -7.498 -3.297 1.00 1.00 N ATOM 577 CA LYS A 44 -0.657 -7.053 -4.529 1.00 1.00 C ATOM 578 C LYS A 44 -1.936 -7.480 -4.375 1.00 1.00 C ATOM 579 O LYS A 44 -2.191 -8.606 -4.655 1.00 1.00 O ATOM 580 CB LYS A 44 -0.088 -7.652 -5.816 1.00 1.00 C ATOM 581 CG LYS A 44 -1.026 -7.230 -7.001 1.00 1.00 C ATOM 582 CD LYS A 44 -0.256 -7.320 -8.335 1.00 1.00 C ATOM 583 CE LYS A 44 -1.249 -7.201 -9.554 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.275 -8.496 -10.294 1.00 1.00 N ATOM 0 H LYS A 44 1.118 -7.556 -3.412 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.584 -5.969 -4.621 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.927 -7.294 -5.987 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.034 -8.738 -5.740 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -1.902 -7.878 -7.032 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.387 -6.213 -6.847 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.489 -6.526 -8.386 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.283 -8.266 -8.388 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.249 -6.950 -9.201 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -0.934 -6.396 -10.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.929 -8.423 -11.099 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.320 -8.716 -10.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.594 -9.254 -9.657 1.00 1.00 H new ATOM 598 N PRO A 45 -2.867 -6.604 -3.793 1.00 1.00 N ATOM 599 CA PRO A 45 -4.279 -6.987 -3.495 1.00 1.00 C ATOM 600 C PRO A 45 -4.798 -7.687 -4.577 1.00 1.00 C ATOM 601 O PRO A 45 -5.761 -7.297 -5.236 1.00 1.00 O ATOM 602 CB PRO A 45 -4.921 -5.694 -3.255 1.00 1.00 C ATOM 603 CG PRO A 45 -3.830 -4.932 -2.611 1.00 1.00 C ATOM 604 CD PRO A 45 -2.637 -5.233 -3.407 1.00 1.00 C ATOM 0 HA PRO A 45 -4.419 -7.652 -2.643 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.256 -5.226 -4.180 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.794 -5.784 -2.609 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -4.043 -3.863 -2.608 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.698 -5.233 -1.572 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.548 -4.576 -4.272 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.721 -5.121 -2.826 1.00 1.00 H new ATOM 612 N ASP A 46 -4.111 -8.640 -4.837 1.00 1.00 N ATOM 613 CA ASP A 46 -4.319 -9.447 -5.933 1.00 1.00 C ATOM 614 C ASP A 46 -5.728 -10.082 -5.888 1.00 1.00 C ATOM 615 O ASP A 46 -6.268 -10.257 -4.822 1.00 1.00 O ATOM 616 CB ASP A 46 -3.160 -10.601 -6.031 1.00 1.00 C ATOM 617 CG ASP A 46 -3.716 -11.894 -6.656 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.609 -12.480 -6.061 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.242 -12.270 -7.715 1.00 1.00 O ATOM 0 H ASP A 46 -3.317 -8.927 -4.264 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.257 -8.828 -6.828 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.326 -10.234 -6.629 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.769 -10.813 -5.036 1.00 1.00 H new ATOM 624 N PRO A 47 -6.322 -10.454 -7.051 1.00 1.00 N ATOM 625 CA PRO A 47 -7.678 -11.117 -7.075 1.00 1.00 C ATOM 626 C PRO A 47 -7.750 -12.350 -6.105 1.00 1.00 C ATOM 627 O PRO A 47 -7.797 -13.501 -6.541 1.00 1.00 O ATOM 628 CB PRO A 47 -7.843 -11.557 -8.550 1.00 1.00 C ATOM 629 CG PRO A 47 -6.980 -10.613 -9.341 1.00 1.00 C ATOM 630 CD PRO A 47 -5.784 -10.261 -8.439 1.00 1.00 C ATOM 0 HA PRO A 47 -8.469 -10.448 -6.736 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.527 -12.591 -8.690 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.885 -11.496 -8.865 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.644 -11.078 -10.268 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.536 -9.717 -9.617 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.931 -10.911 -8.632 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.448 -9.237 -8.600 1.00 1.00 H new ATOM 638 N GLY A 48 -7.765 -12.064 -4.809 1.00 1.00 N ATOM 639 CA GLY A 48 -7.838 -13.091 -3.774 1.00 1.00 C ATOM 640 C GLY A 48 -8.297 -12.426 -2.516 1.00 1.00 C ATOM 641 O GLY A 48 -9.492 -12.407 -2.223 1.00 1.00 O ATOM 0 H GLY A 48 -7.727 -11.112 -4.444 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.530 -13.881 -4.065 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.864 -13.559 -3.628 1.00 1.00 H new ATOM 645 N PRO A 49 -7.388 -11.786 -1.777 1.00 1.00 N ATOM 646 CA PRO A 49 -7.770 -11.048 -0.607 1.00 1.00 C ATOM 647 C PRO A 49 -8.942 -10.138 -0.938 1.00 1.00 C ATOM 648 O PRO A 49 -10.083 -10.469 -0.619 1.00 1.00 O ATOM 649 CB PRO A 49 -6.476 -10.228 -0.197 1.00 1.00 C ATOM 650 CG PRO A 49 -5.437 -10.526 -1.241 1.00 1.00 C ATOM 651 CD PRO A 49 -5.935 -11.742 -2.020 1.00 1.00 C ATOM 0 HA PRO A 49 -8.100 -11.685 0.214 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.690 -9.160 -0.156 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.127 -10.522 0.793 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.298 -9.672 -1.904 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.471 -10.731 -0.779 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.716 -11.645 -3.083 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.450 -12.656 -1.676 1.00 1.00 H new ATOM 659 N LYS A 50 -8.636 -8.979 -1.575 1.00 1.00 N ATOM 660 CA LYS A 50 -9.652 -7.932 -1.971 1.00 1.00 C ATOM 661 C LYS A 50 -10.184 -7.174 -0.746 1.00 1.00 C ATOM 662 O LYS A 50 -11.375 -6.868 -0.676 1.00 1.00 O ATOM 663 CB LYS A 50 -10.897 -8.669 -2.730 1.00 1.00 C ATOM 664 CG LYS A 50 -10.781 -8.488 -4.368 1.00 1.00 C ATOM 665 CD LYS A 50 -11.500 -7.123 -4.846 1.00 1.00 C ATOM 666 CE LYS A 50 -10.889 -5.889 -4.113 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.438 -5.780 -4.441 1.00 1.00 N ATOM 0 H LYS A 50 -7.682 -8.730 -1.835 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.168 -7.211 -2.631 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.906 -9.729 -2.477 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.840 -8.250 -2.380 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.732 -8.475 -4.664 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.242 -9.341 -4.866 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.386 -7.005 -5.924 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.569 -7.180 -4.643 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.410 -4.980 -4.414 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.022 -5.990 -3.036 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.979 -5.130 -3.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.995 -6.718 -4.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.327 -5.415 -5.408 1.00 1.00 H new ATOM 681 N GLY A 51 -9.331 -6.930 0.281 1.00 1.00 N ATOM 682 CA GLY A 51 -9.744 -6.364 1.389 1.00 1.00 C ATOM 683 C GLY A 51 -8.969 -6.950 2.432 1.00 1.00 C ATOM 684 O GLY A 51 -8.237 -6.335 2.961 1.00 1.00 O ATOM 0 H GLY A 51 -8.338 -7.161 0.267 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.601 -5.284 1.354 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.808 -6.540 1.546 1.00 1.00 H new ATOM 688 N PRO A 52 -9.120 -8.237 2.705 1.00 1.00 N ATOM 689 CA PRO A 52 -8.278 -8.978 3.754 1.00 1.00 C ATOM 690 C PRO A 52 -6.772 -8.474 3.805 1.00 1.00 C ATOM 691 O PRO A 52 -5.888 -9.195 4.165 1.00 1.00 O ATOM 692 CB PRO A 52 -8.338 -10.406 3.260 1.00 1.00 C ATOM 693 CG PRO A 52 -9.703 -10.539 2.605 1.00 1.00 C ATOM 694 CD PRO A 52 -10.096 -9.113 2.098 1.00 1.00 C ATOM 0 HA PRO A 52 -8.651 -8.828 4.767 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.538 -10.612 2.549 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -8.224 -11.113 4.082 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.668 -11.248 1.778 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.439 -10.914 3.316 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -10.061 -9.054 1.010 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -11.110 -8.849 2.399 1.00 1.00 H new ATOM 702 N THR A 53 -6.596 -7.249 3.454 1.00 1.00 N ATOM 703 CA THR A 53 -5.355 -6.558 3.440 1.00 1.00 C ATOM 704 C THR A 53 -5.773 -5.099 3.640 1.00 1.00 C ATOM 705 O THR A 53 -6.910 -4.847 3.541 1.00 1.00 O ATOM 706 CB THR A 53 -4.603 -6.746 2.160 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.559 -5.592 1.496 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.266 -7.780 1.289 1.00 1.00 C ATOM 0 H THR A 53 -7.371 -6.662 3.147 1.00 1.00 H new ATOM 0 HA THR A 53 -4.667 -6.922 4.203 1.00 1.00 H new ATOM 0 HB THR A 53 -3.596 -7.084 2.405 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.678 -5.179 1.616 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.698 -7.896 0.366 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.299 -8.733 1.817 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.281 -7.460 1.053 1.00 1.00 H new ATOM 716 N TYR A 54 -4.964 -4.208 3.889 1.00 1.00 N ATOM 717 CA TYR A 54 -5.514 -2.749 4.160 1.00 1.00 C ATOM 718 C TYR A 54 -4.516 -1.886 5.002 1.00 1.00 C ATOM 719 O TYR A 54 -3.961 -2.375 5.977 1.00 1.00 O ATOM 720 CB TYR A 54 -6.846 -2.892 5.029 1.00 1.00 C ATOM 721 CG TYR A 54 -6.965 -1.814 6.173 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.228 -1.964 7.369 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.803 -0.709 6.014 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.338 -1.008 8.380 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.909 0.241 7.032 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.176 0.091 8.213 1.00 1.00 C ATOM 727 OH TYR A 54 -7.282 1.034 9.216 1.00 1.00 O ATOM 0 H TYR A 54 -3.951 -4.321 3.939 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.674 -2.263 3.198 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.711 -2.810 4.371 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.877 -3.887 5.473 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.580 -2.818 7.501 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.370 -0.589 5.103 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.772 -1.121 9.293 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.559 1.094 6.907 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.907 1.737 8.940 1.00 1.00 H new ATOM 737 N CYS A 55 -4.289 -0.464 4.593 1.00 1.00 N ATOM 738 CA CYS A 55 -3.341 0.398 5.449 1.00 1.00 C ATOM 739 C CYS A 55 -3.753 1.880 5.831 1.00 1.00 C ATOM 740 O CYS A 55 -3.290 2.431 6.831 1.00 1.00 O ATOM 741 CB CYS A 55 -2.016 0.463 4.802 1.00 1.00 C ATOM 742 SG CYS A 55 -0.766 0.679 6.136 1.00 1.00 S ATOM 0 H CYS A 55 -4.709 -0.002 3.787 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.370 -0.133 6.401 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.820 -0.447 4.235 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.973 1.293 4.097 1.00 1.00 H new ATOM 747 N TRP A 56 -4.560 2.473 4.997 1.00 1.00 N ATOM 748 CA TRP A 56 -4.999 3.798 5.131 1.00 1.00 C ATOM 749 C TRP A 56 -6.512 3.876 5.454 1.00 1.00 C ATOM 750 O TRP A 56 -6.979 3.251 6.408 1.00 1.00 O ATOM 751 CB TRP A 56 -4.781 4.447 3.768 1.00 1.00 C ATOM 752 CG TRP A 56 -4.960 5.942 3.850 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.341 6.636 2.855 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.747 6.923 4.994 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.378 7.936 3.189 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.028 8.166 4.508 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.334 6.834 6.383 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -4.932 9.326 5.301 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.243 7.993 7.167 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.543 9.230 6.623 1.00 1.00 C ATOM 0 H TRP A 56 -4.937 2.007 4.172 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.458 4.285 5.942 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.779 4.216 3.407 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.484 4.031 3.046 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.597 6.238 1.884 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.637 8.677 2.538 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.096 5.873 6.814 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.163 10.291 4.875 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -3.937 7.920 8.200 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.473 10.119 7.232 1.00 1.00 H new ATOM 771 N ASP A 57 -7.339 4.595 4.484 1.00 1.00 N ATOM 772 CA ASP A 57 -8.727 4.657 4.544 1.00 1.00 C ATOM 773 C ASP A 57 -9.249 5.904 3.787 1.00 1.00 C ATOM 774 O ASP A 57 -10.413 6.246 3.950 1.00 1.00 O ATOM 775 CB ASP A 57 -9.208 4.699 5.970 1.00 1.00 C ATOM 776 CG ASP A 57 -9.754 3.340 6.430 1.00 1.00 C ATOM 777 OD1 ASP A 57 -10.281 2.619 5.599 1.00 1.00 O ATOM 778 OD2 ASP A 57 -9.638 3.049 7.609 1.00 1.00 O ATOM 0 H ASP A 57 -6.946 5.103 3.692 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.117 3.757 4.069 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.387 5.000 6.621 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -9.987 5.455 6.068 1.00 1.00 H new ATOM 783 N GLU A 58 -8.377 6.622 2.996 1.00 1.00 N ATOM 784 CA GLU A 58 -8.822 7.790 2.388 1.00 1.00 C ATOM 785 C GLU A 58 -7.737 8.479 1.710 1.00 1.00 C ATOM 786 O GLU A 58 -7.211 9.379 2.289 1.00 1.00 O ATOM 787 CB GLU A 58 -9.280 8.732 3.574 1.00 1.00 C ATOM 788 CG GLU A 58 -8.137 8.744 4.629 1.00 1.00 C ATOM 789 CD GLU A 58 -8.612 9.418 5.913 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.058 10.552 5.833 1.00 1.00 O ATOM 791 OE2 GLU A 58 -8.524 8.791 6.955 1.00 1.00 O ATOM 0 H GLU A 58 -7.407 6.369 2.809 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.603 7.560 1.664 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.476 9.740 3.209 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.207 8.368 4.017 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.818 7.724 4.842 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.271 9.272 4.231 1.00 1.00 H new ATOM 798 N ALA A 59 -7.301 8.180 0.481 1.00 1.00 N ATOM 799 CA ALA A 59 -6.183 9.065 -0.053 1.00 1.00 C ATOM 800 C ALA A 59 -6.271 9.303 -1.584 1.00 1.00 C ATOM 801 O ALA A 59 -5.361 9.674 -2.111 1.00 1.00 O ATOM 802 CB ALA A 59 -4.975 8.372 0.170 1.00 1.00 C ATOM 0 H ALA A 59 -7.636 7.431 -0.126 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.252 10.030 0.449 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.140 8.969 -0.198 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.850 8.192 1.238 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.000 7.419 -0.358 1.00 1.00 H new ATOM 808 N LYS A 60 -7.401 8.988 -2.284 1.00 1.00 N ATOM 809 CA LYS A 60 -7.398 9.138 -3.804 1.00 1.00 C ATOM 810 C LYS A 60 -8.164 10.262 -4.263 1.00 1.00 C ATOM 811 O LYS A 60 -7.973 10.662 -5.418 1.00 1.00 O ATOM 812 CB LYS A 60 -7.864 7.870 -4.488 1.00 1.00 C ATOM 813 CG LYS A 60 -8.925 7.283 -3.577 1.00 1.00 C ATOM 814 CD LYS A 60 -9.742 6.127 -4.282 1.00 1.00 C ATOM 815 CE LYS A 60 -11.271 6.363 -4.080 1.00 1.00 C ATOM 816 NZ LYS A 60 -11.582 6.364 -2.618 1.00 1.00 N ATOM 0 H LYS A 60 -8.273 8.652 -1.875 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.360 9.326 -4.079 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.271 8.084 -5.476 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.038 7.173 -4.627 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.453 6.894 -2.675 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.610 8.071 -3.264 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.506 6.099 -5.346 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -9.456 5.161 -3.866 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.566 7.312 -4.527 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.841 5.582 -4.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -12.596 6.181 -2.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.028 5.622 -2.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.339 7.290 -2.212 1.00 1.00 H new ATOM 872 N PRO A 65 -8.168 13.908 0.488 1.00 1.00 N ATOM 873 CA PRO A 65 -7.610 12.892 1.319 1.00 1.00 C ATOM 874 C PRO A 65 -6.126 12.820 1.157 1.00 1.00 C ATOM 875 O PRO A 65 -5.548 13.623 0.473 1.00 1.00 O ATOM 876 CB PRO A 65 -8.334 11.594 0.870 1.00 1.00 C ATOM 877 CG PRO A 65 -9.557 12.090 0.347 1.00 1.00 C ATOM 878 CD PRO A 65 -9.134 13.351 -0.390 1.00 1.00 C ATOM 0 HA PRO A 65 -7.757 13.078 2.383 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.762 11.050 0.118 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.496 10.911 1.704 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -10.029 11.371 -0.323 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.274 12.308 1.138 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -8.711 13.127 -1.369 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.973 14.027 -0.552 1.00 1.00 H new ATOM 886 N ASN A 66 -5.510 11.952 1.875 1.00 1.00 N ATOM 887 CA ASN A 66 -3.994 11.887 1.863 1.00 1.00 C ATOM 888 C ASN A 66 -3.441 12.075 0.406 1.00 1.00 C ATOM 889 O ASN A 66 -2.279 12.414 0.179 1.00 1.00 O ATOM 890 CB ASN A 66 -3.462 10.507 2.457 1.00 1.00 C ATOM 891 CG ASN A 66 -2.494 10.755 3.640 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.462 9.975 4.594 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.714 11.801 3.625 1.00 1.00 N ATOM 0 H ASN A 66 -5.967 11.271 2.481 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.633 12.698 2.495 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.304 9.901 2.791 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.952 9.942 1.676 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.077 11.974 4.403 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.741 12.446 2.835 1.00 1.00 H new ATOM 900 N ARG A 67 -4.352 11.855 -0.518 1.00 1.00 N ATOM 901 CA ARG A 67 -4.126 11.979 -1.961 1.00 1.00 C ATOM 902 C ARG A 67 -3.104 10.999 -2.510 1.00 1.00 C ATOM 903 O ARG A 67 -1.898 11.134 -2.313 1.00 1.00 O ATOM 904 CB ARG A 67 -3.674 13.415 -2.334 1.00 1.00 C ATOM 905 CG ARG A 67 -4.858 14.310 -2.433 1.00 1.00 C ATOM 906 CD ARG A 67 -5.443 14.209 -3.815 1.00 1.00 C ATOM 907 NE ARG A 67 -4.487 14.666 -4.882 1.00 1.00 N ATOM 908 CZ ARG A 67 -3.952 15.919 -4.927 1.00 1.00 C ATOM 909 NH1 ARG A 67 -4.240 16.808 -4.030 1.00 1.00 N ATOM 910 NH2 ARG A 67 -3.141 16.233 -5.903 1.00 1.00 N ATOM 0 H ARG A 67 -5.305 11.575 -0.288 1.00 1.00 H new ATOM 0 HA ARG A 67 -5.089 11.746 -2.416 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.982 13.795 -1.582 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -3.137 13.402 -3.283 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -5.603 14.030 -1.689 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -4.569 15.340 -2.222 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -5.731 13.176 -4.009 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -6.352 14.809 -3.866 1.00 1.00 H new ATOM 0 HE ARG A 67 -4.225 14.003 -5.611 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -4.879 16.577 -3.270 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -3.827 17.739 -4.084 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -2.915 15.544 -6.620 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -2.734 17.167 -5.948 1.00 1.00 H new ATOM 924 N CYS A 68 -3.606 10.127 -3.262 1.00 1.00 N ATOM 925 CA CYS A 68 -2.900 9.181 -3.988 1.00 1.00 C ATOM 926 C CYS A 68 -3.457 9.349 -5.252 1.00 1.00 C ATOM 927 O CYS A 68 -2.886 10.044 -6.095 1.00 1.00 O ATOM 928 CB CYS A 68 -3.028 7.647 -3.432 1.00 1.00 C ATOM 929 SG CYS A 68 -4.572 7.236 -2.578 1.00 1.00 S ATOM 0 H CYS A 68 -4.614 10.050 -3.398 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.821 9.327 -3.939 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.910 6.966 -4.275 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.198 7.458 -2.751 1.00 1.00 H new ATOM 934 N SER A 69 -4.560 8.799 -5.444 1.00 1.00 N ATOM 935 CA SER A 69 -5.270 8.935 -6.673 1.00 1.00 C ATOM 936 C SER A 69 -4.826 7.983 -7.686 1.00 1.00 C ATOM 937 O SER A 69 -5.623 7.445 -8.454 1.00 1.00 O ATOM 938 CB SER A 69 -5.099 10.385 -7.266 1.00 1.00 C ATOM 939 OG SER A 69 -3.968 10.413 -8.139 1.00 1.00 O ATOM 0 H SER A 69 -5.032 8.219 -4.750 1.00 1.00 H new ATOM 0 HA SER A 69 -6.315 8.737 -6.434 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.998 10.676 -7.809 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.967 11.106 -6.459 1.00 1.00 H new ATOM 0 HG SER A 69 -3.147 10.485 -7.609 1.00 1.00 H new ATOM 945 N ASN A 70 -3.497 7.881 -7.805 1.00 1.00 N ATOM 946 CA ASN A 70 -2.870 7.082 -8.913 1.00 1.00 C ATOM 947 C ASN A 70 -2.149 5.987 -8.436 1.00 1.00 C ATOM 948 O ASN A 70 -2.117 4.936 -9.060 1.00 1.00 O ATOM 949 CB ASN A 70 -1.896 7.996 -9.676 1.00 1.00 C ATOM 950 CG ASN A 70 -2.656 9.157 -10.301 1.00 1.00 C ATOM 951 OD1 ASN A 70 -2.415 10.315 -9.959 1.00 1.00 O ATOM 952 ND2 ASN A 70 -3.566 8.918 -11.206 1.00 1.00 N ATOM 0 H ASN A 70 -2.831 8.324 -7.172 1.00 1.00 H new ATOM 0 HA ASN A 70 -3.672 6.709 -9.551 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -1.131 8.374 -8.997 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -1.382 7.428 -10.451 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -4.078 9.691 -11.631 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -3.765 7.958 -11.488 1.00 1.00 H new ATOM 959 N SER A 71 -1.522 6.202 -7.352 1.00 1.00 N ATOM 960 CA SER A 71 -0.729 5.222 -6.721 1.00 1.00 C ATOM 961 C SER A 71 0.337 5.892 -5.922 1.00 1.00 C ATOM 962 O SER A 71 1.334 6.265 -6.480 1.00 1.00 O ATOM 963 CB SER A 71 -0.058 4.305 -7.692 1.00 1.00 C ATOM 964 OG SER A 71 1.163 3.809 -7.115 1.00 1.00 O ATOM 0 H SER A 71 -1.545 7.095 -6.859 1.00 1.00 H new ATOM 0 HA SER A 71 -1.398 4.631 -6.096 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.719 3.475 -7.941 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.154 4.834 -8.621 1.00 1.00 H new ATOM 0 HG SER A 71 1.790 4.551 -6.988 1.00 1.00 H new ATOM 970 N LYS A 72 0.138 5.961 -4.567 1.00 1.00 N ATOM 971 CA LYS A 72 1.172 6.548 -3.646 1.00 1.00 C ATOM 972 C LYS A 72 0.728 7.003 -2.350 1.00 1.00 C ATOM 973 O LYS A 72 1.227 7.995 -1.861 1.00 1.00 O ATOM 974 CB LYS A 72 1.744 7.836 -4.368 1.00 1.00 C ATOM 975 CG LYS A 72 0.640 8.804 -4.619 1.00 1.00 C ATOM 976 CD LYS A 72 1.181 10.063 -5.462 1.00 1.00 C ATOM 977 CE LYS A 72 0.462 10.156 -6.838 1.00 1.00 C ATOM 978 NZ LYS A 72 0.823 11.448 -7.491 1.00 1.00 N ATOM 0 H LYS A 72 -0.704 5.628 -4.097 1.00 1.00 H new ATOM 0 HA LYS A 72 1.871 5.733 -3.458 1.00 1.00 H new ATOM 0 HB2 LYS A 72 2.513 8.299 -3.750 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.217 7.557 -5.310 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -0.166 8.313 -5.163 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.223 9.145 -3.671 1.00 1.00 H new ATOM 0 HD2 LYS A 72 1.017 10.981 -4.898 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.256 9.970 -5.614 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.755 9.319 -7.472 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -0.618 10.092 -6.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.345 11.517 -8.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 0.523 12.239 -6.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 1.853 11.490 -7.631 1.00 1.00 H new ATOM 992 N GLN A 73 -0.175 6.416 -1.850 1.00 1.00 N ATOM 993 CA GLN A 73 -0.758 6.849 -0.634 1.00 1.00 C ATOM 994 C GLN A 73 -2.167 6.282 -0.544 1.00 1.00 C ATOM 995 O GLN A 73 -2.960 6.934 -0.166 1.00 1.00 O ATOM 996 CB GLN A 73 -0.976 8.548 -0.676 1.00 1.00 C ATOM 997 CG GLN A 73 -0.022 9.296 0.273 1.00 1.00 C ATOM 998 CD GLN A 73 -0.485 9.133 1.716 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.357 8.308 2.002 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.051 9.870 2.650 1.00 1.00 N ATOM 0 H GLN A 73 -0.595 5.574 -2.243 1.00 1.00 H new ATOM 0 HA GLN A 73 -0.116 6.536 0.190 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.821 8.904 -1.694 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -2.006 8.784 -0.409 1.00 1.00 H new ATOM 0 HG2 GLN A 73 0.991 8.909 0.162 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.010 10.353 0.010 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.772 10.551 2.411 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.251 9.765 3.619 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.419 5.067 -0.797 1.00 1.00 N ATOM 1010 CA CYS A 74 -4.021 4.556 -0.548 1.00 1.00 C ATOM 1011 C CYS A 74 -3.987 3.615 0.558 1.00 1.00 C ATOM 1012 O CYS A 74 -3.133 3.805 1.401 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.644 3.992 -1.870 1.00 1.00 C ATOM 1014 SG CYS A 74 -5.074 5.345 -3.197 1.00 1.00 S ATOM 0 H CYS A 74 -1.759 4.366 -1.134 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.683 5.380 -0.281 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.948 3.278 -2.310 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.552 3.441 -1.623 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.946 2.531 0.698 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.843 1.649 2.004 1.00 1.00 C ATOM 1021 C ASP A 75 -4.034 0.371 1.799 1.00 1.00 C ATOM 1022 O ASP A 75 -2.810 0.454 1.707 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.319 1.539 2.541 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.471 0.816 3.849 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.421 -0.299 3.838 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.687 1.449 4.827 1.00 1.00 O ATOM 0 H ASP A 75 -5.680 2.283 0.035 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.240 2.094 2.795 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.725 2.545 2.651 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.925 1.031 1.791 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.639 -0.769 1.792 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.820 -2.036 1.669 1.00 1.00 C ATOM 1033 C GLY A 76 -4.384 -3.151 0.819 1.00 1.00 C ATOM 1034 O GLY A 76 -3.637 -4.023 0.463 1.00 1.00 O ATOM 0 H GLY A 76 -5.648 -0.901 1.864 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.843 -1.767 1.267 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.655 -2.428 2.672 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.636 -3.113 0.415 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.169 -4.195 -0.467 1.00 1.00 C ATOM 1040 C ALA A 77 -6.632 -3.619 -1.762 1.00 1.00 C ATOM 1041 O ALA A 77 -7.660 -4.030 -2.304 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.346 -4.898 0.185 1.00 1.00 C ATOM 0 H ALA A 77 -6.305 -2.382 0.659 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.364 -4.910 -0.634 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -7.715 -5.681 -0.478 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.028 -5.342 1.128 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.142 -4.177 0.373 1.00 1.00 H new ATOM 1048 N ARG A 78 -5.943 -2.634 -2.222 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.283 -1.928 -3.380 1.00 1.00 C ATOM 1050 C ARG A 78 -5.134 -1.930 -4.436 1.00 1.00 C ATOM 1051 O ARG A 78 -3.999 -2.226 -4.129 1.00 1.00 O ATOM 1052 CB ARG A 78 -6.512 -0.565 -2.971 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.591 -0.562 -1.872 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.016 0.814 -1.628 1.00 1.00 C ATOM 1055 NE ARG A 78 -8.756 1.331 -2.806 1.00 1.00 N ATOM 1056 CZ ARG A 78 -9.947 1.969 -2.689 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -10.485 2.171 -1.510 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -10.563 2.389 -3.761 1.00 1.00 N ATOM 0 H ARG A 78 -5.093 -2.294 -1.773 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.153 -2.394 -3.842 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -5.589 -0.121 -2.598 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -6.834 0.037 -3.821 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.442 -1.170 -2.178 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.197 -1.003 -0.956 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.650 0.856 -0.742 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.148 1.442 -1.429 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.355 1.202 -3.735 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.007 1.847 -0.669 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -11.381 2.652 -1.434 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.148 2.237 -4.680 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -11.459 2.869 -3.679 1.00 1.00 H new ATOM 1072 N THR A 79 -5.470 -1.531 -5.644 1.00 1.00 N ATOM 1073 CA THR A 79 -4.513 -1.416 -6.728 1.00 1.00 C ATOM 1074 C THR A 79 -4.798 -0.175 -7.443 1.00 1.00 C ATOM 1075 O THR A 79 -5.612 -0.191 -8.195 1.00 1.00 O ATOM 1076 CB THR A 79 -4.667 -2.518 -7.611 1.00 1.00 C ATOM 1077 OG1 THR A 79 -4.215 -3.711 -6.975 1.00 1.00 O ATOM 1078 CG2 THR A 79 -3.844 -2.238 -8.834 1.00 1.00 C ATOM 0 H THR A 79 -6.422 -1.275 -5.905 1.00 1.00 H new ATOM 0 HA THR A 79 -3.493 -1.410 -6.343 1.00 1.00 H new ATOM 0 HB THR A 79 -5.714 -2.653 -7.883 1.00 1.00 H new ATOM 0 HG1 THR A 79 -4.324 -4.469 -7.586 1.00 1.00 H new ATOM 0 HG21 THR A 79 -3.940 -3.067 -9.535 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.195 -1.321 -9.307 1.00 1.00 H new ATOM 0 HG23 THR A 79 -2.798 -2.122 -8.550 1.00 1.00 H new ATOM 1086 N CYS A 80 -4.145 1.017 -7.113 1.00 1.00 N ATOM 1087 CA CYS A 80 -4.612 2.224 -7.800 1.00 1.00 C ATOM 1088 C CYS A 80 -4.690 2.057 -9.237 1.00 1.00 C ATOM 1089 O CYS A 80 -3.962 2.677 -10.015 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.900 3.683 -7.491 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.507 4.620 -6.039 1.00 1.00 S ATOM 0 H CYS A 80 -3.381 1.130 -6.446 1.00 1.00 H new ATOM 0 HA CYS A 80 -5.591 2.303 -7.327 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -2.830 3.516 -7.362 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.021 4.312 -8.373 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.032 0.841 -4.873 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.445 1.794 -4.022 1.00 1.00 C ATOM 1138 C PHE A 85 -4.979 1.965 -4.206 1.00 1.00 C ATOM 1139 O PHE A 85 -5.692 1.803 -3.290 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.519 3.047 -4.180 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.255 2.953 -3.210 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.363 2.499 -1.836 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.003 3.298 -3.703 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.230 2.422 -1.043 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.134 3.212 -2.880 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.015 2.776 -1.555 1.00 1.00 C ATOM 0 HA PHE A 85 -3.336 1.546 -2.966 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.183 3.127 -5.214 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -3.085 3.952 -3.958 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.325 2.222 -1.432 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.106 3.633 -4.724 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.313 2.085 -0.020 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.104 3.484 -3.270 1.00 1.00 H new ATOM 0 HZ PHE A 85 1.892 2.714 -0.928 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.427 2.424 -5.319 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.992 2.683 -5.494 1.00 1.00 C ATOM 1158 C CYS A 86 -7.686 2.160 -6.675 1.00 1.00 C ATOM 1159 O CYS A 86 -7.633 2.702 -7.783 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.381 4.127 -5.348 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.382 5.132 -6.471 1.00 1.00 S ATOM 0 H CYS A 86 -4.854 2.647 -6.133 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.337 2.069 -4.662 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.440 4.255 -5.572 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -7.231 4.454 -4.319 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.412 1.073 -6.375 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.160 0.405 -7.234 1.00 1.00 C ATOM 1168 C GLN A 87 -9.866 -0.698 -6.436 1.00 1.00 C ATOM 1169 O GLN A 87 -11.094 -0.744 -6.357 1.00 1.00 O ATOM 1170 CB GLN A 87 -8.269 -0.105 -8.285 1.00 1.00 C ATOM 1171 CG GLN A 87 -8.921 -1.181 -9.115 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.001 -2.514 -8.353 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -7.982 -3.036 -7.905 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.157 -3.089 -8.190 1.00 1.00 N ATOM 0 H GLN A 87 -8.437 0.676 -5.436 1.00 1.00 H new ATOM 0 HA GLN A 87 -9.926 1.007 -7.723 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -7.967 0.718 -8.933 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -7.362 -0.501 -7.829 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -9.924 -0.864 -9.400 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -8.357 -1.322 -10.037 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.000 -2.653 -8.563 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.220 -3.975 -7.689 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.073 -1.584 -5.882 1.00 1.00 N ATOM 1184 CA GLY A 88 -9.593 -2.741 -5.097 1.00 1.00 C ATOM 1185 C GLY A 88 -10.596 -2.384 -3.964 1.00 1.00 C ATOM 1186 O GLY A 88 -11.717 -1.944 -4.223 1.00 1.00 O ATOM 0 H GLY A 88 -8.056 -1.548 -5.946 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -10.079 -3.434 -5.783 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -8.747 -3.269 -4.657 1.00 1.00 H new ATOM 1190 N THR A 89 -10.196 -2.722 -2.700 1.00 1.00 N ATOM 1191 CA THR A 89 -11.108 -2.579 -1.525 1.00 1.00 C ATOM 1192 C THR A 89 -10.514 -1.997 -0.206 1.00 1.00 C ATOM 1193 O THR A 89 -10.906 -0.936 0.275 1.00 1.00 O ATOM 1194 CB THR A 89 -11.556 -4.028 -1.213 1.00 1.00 C ATOM 1195 OG1 THR A 89 -12.518 -4.434 -2.176 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.173 -4.136 0.206 1.00 1.00 C ATOM 0 H THR A 89 -9.271 -3.087 -2.474 1.00 1.00 H new ATOM 0 HA THR A 89 -11.875 -1.859 -1.810 1.00 1.00 H new ATOM 0 HB THR A 89 -10.680 -4.675 -1.252 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.769 -5.367 -2.014 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.477 -5.166 0.393 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.433 -3.835 0.948 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.043 -3.483 0.275 1.00 1.00 H new ATOM 1204 N ALA A 90 -9.714 -2.782 0.355 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.115 -2.562 1.672 1.00 1.00 C ATOM 1206 C ALA A 90 -9.971 -3.320 2.685 1.00 1.00 C ATOM 1207 O ALA A 90 -11.117 -2.963 2.963 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.010 -1.147 2.057 1.00 1.00 C ATOM 0 H ALA A 90 -9.414 -3.656 -0.077 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.087 -2.924 1.643 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.556 -1.071 3.045 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.392 -0.618 1.332 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.004 -0.701 2.080 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.395 -4.300 3.213 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.098 -5.213 4.328 1.00 1.00 C ATOM 1216 C GLY A 91 -9.046 -5.968 5.492 1.00 1.00 C ATOM 1217 O GLY A 91 -9.525 -6.447 6.516 1.00 1.00 O ATOM 0 H GLY A 91 -8.446 -4.590 2.977 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.818 -4.598 4.868 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.663 -5.995 3.821 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.673 -5.925 5.280 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.587 -6.476 6.315 1.00 1.00 C ATOM 1223 C HIS A 92 -6.695 -7.905 6.704 1.00 1.00 C ATOM 1224 O HIS A 92 -7.736 -8.306 7.224 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.706 -5.645 7.700 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.741 -6.243 8.679 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -9.037 -5.758 8.772 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.652 -7.253 9.608 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.667 -6.470 9.730 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.866 -7.392 10.269 1.00 1.00 N ATOM 0 H HIS A 92 -7.259 -5.532 4.435 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.645 -6.357 5.779 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.730 -5.617 8.185 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.980 -4.614 7.476 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.440 -5.002 8.218 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.771 -7.849 9.796 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.694 -6.313 10.025 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.697 -8.718 6.479 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.836 -10.208 6.903 1.00 1.00 C ATOM 1241 C ALA A 93 -5.039 -10.466 8.193 1.00 1.00 C ATOM 1242 O ALA A 93 -3.823 -10.557 8.174 1.00 1.00 O ATOM 1243 CB ALA A 93 -5.312 -11.181 5.751 1.00 1.00 C ATOM 0 H ALA A 93 -4.812 -8.462 6.040 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.892 -10.412 7.079 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -5.420 -12.217 6.073 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.896 -11.019 4.845 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -4.262 -10.972 5.548 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.753 -10.591 9.307 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.104 -10.842 10.599 1.00 1.00 C ATOM 1251 C ALA A 94 -4.515 -12.255 10.632 1.00 1.00 C ATOM 1252 O ALA A 94 -5.228 -13.162 11.029 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.139 -10.680 11.759 1.00 1.00 C ATOM 0 H ALA A 94 -6.770 -10.524 9.347 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.300 -10.118 10.729 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.648 -10.868 12.714 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.539 -9.666 11.751 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.953 -11.392 11.623 1.00 1.00 H new