USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 81 ASN : amide:sc= -3.27! C(o=-9.6!,f=-8.4!) USER MOD Set 1.2: A 83 ASN : amide:sc= -6.31 K(o=-9.6,f=-17!) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.8) USER MOD Set 3.1: A 35 ASN : amide:sc= -5.2! C(o=-5.5!,f=-3.9!) USER MOD Set 3.2: A 37 GLN : amide:sc= -0.349 K(o=-5.5,f=-2.9) USER MOD Set 4.1: A 15 ASN : amide:sc= -3.19! C(o=-18!,f=-22!) USER MOD Set 4.2: A 16 ASN : amide:sc= -5.88! C(o=-18!,f=-18!) USER MOD Set 4.3: A 20 THR OG1 : rot 59:sc= -2.46 USER MOD Set 4.4: A 34 GLN : amide:sc= -6.33! C(o=-18!,f=-18!) USER MOD Set 5.1: A 9 GLN : amide:sc= -0.168 K(o=-0.5,f=0.34) USER MOD Set 5.2: A 28 SER OG : rot 80:sc= -0.328 USER MOD Set 6.1: A 1 ALA N :NH3+ 166:sc= -2.69! (180deg=-1.29) USER MOD Set 6.2: A 97 ASN : amide:sc= -2.51! C(o=-5.2!,f=-5.5!) USER MOD Single : A 2 MET CE :methyl -147:sc= -0.06 (180deg=-2.08!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 88:sc= 0.167 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 30 GLN : amide:sc= -6.81! C(o=-6.8!,f=-7.2!) USER MOD Single : A 43 TYR OH : rot 25:sc= 0.0437 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 174:sc= -0.0419 USER MOD Single : A 47 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.071) USER MOD Single : A 48 ASN : amide:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 49 GLN : amide:sc= -5.38! C(o=-5.4!,f=-8.8!) USER MOD Single : A 51 ASN : amide:sc= -0.956 K(o=-0.96,f=-0.36) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 102:sc= 1.24 USER MOD Single : A 57 ASN : amide:sc= -3.7 K(o=-3.7,f=-2.9!) USER MOD Single : A 59 SER OG : rot 114:sc= 0.833 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.45! C(o=-2.5!,f=-3.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -71:sc= 0.436 USER MOD Single : A 71 THR OG1 : rot -135:sc= -0.865 USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= -0.931 (180deg=-1.67) USER MOD Single : A 89 ASN : amide:sc= -5.2 K(o=-5.2,f=-1.2) USER MOD Single : A 90 SER OG : rot -45:sc= -3.23! USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.205 (180deg=-2.71) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 94 GLN : amide:sc= -2.94! C(o=-2.9!,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.65) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.725 6.037 -7.907 1.00 0.00 N ATOM 2 CA ALA A 1 5.496 6.644 -6.571 1.00 0.00 C ATOM 3 C ALA A 1 4.368 7.670 -6.622 1.00 0.00 C ATOM 4 O ALA A 1 4.530 8.806 -6.174 1.00 0.00 O ATOM 5 CB ALA A 1 6.776 7.290 -6.061 1.00 0.00 C ATOM 0 H1 ALA A 1 6.633 5.530 -7.907 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.956 5.371 -8.122 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.747 6.785 -8.629 1.00 0.00 H new ATOM 0 HA ALA A 1 5.201 5.852 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.595 7.731 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.558 6.535 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.093 8.067 -6.756 1.00 0.00 H new ATOM 13 N MET A 2 3.225 7.263 -7.170 1.00 0.00 N ATOM 14 CA MET A 2 2.072 8.157 -7.269 1.00 0.00 C ATOM 15 C MET A 2 0.812 7.420 -7.724 1.00 0.00 C ATOM 16 O MET A 2 0.512 7.367 -8.916 1.00 0.00 O ATOM 17 CB MET A 2 2.378 9.303 -8.236 1.00 0.00 C ATOM 18 CG MET A 2 1.815 10.642 -7.788 1.00 0.00 C ATOM 19 SD MET A 2 2.954 12.010 -8.082 1.00 0.00 S ATOM 20 CE MET A 2 4.143 11.748 -6.768 1.00 0.00 C ATOM 0 H MET A 2 3.072 6.329 -7.549 1.00 0.00 H new ATOM 0 HA MET A 2 1.882 8.555 -6.272 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.458 9.392 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.972 9.058 -9.218 1.00 0.00 H new ATOM 0 HG2 MET A 2 0.880 10.833 -8.315 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.578 10.594 -6.725 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.525 12.710 -6.426 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.660 11.233 -5.937 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.968 11.141 -7.140 1.00 0.00 H new ATOM 30 N ALA A 3 0.066 6.872 -6.768 1.00 0.00 N ATOM 31 CA ALA A 3 -1.176 6.165 -7.072 1.00 0.00 C ATOM 32 C ALA A 3 -2.089 6.111 -5.852 1.00 0.00 C ATOM 33 O ALA A 3 -2.843 5.154 -5.668 1.00 0.00 O ATOM 34 CB ALA A 3 -0.884 4.764 -7.586 1.00 0.00 C ATOM 0 H ALA A 3 0.300 6.904 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.694 6.718 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.822 4.254 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.283 4.827 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.337 4.205 -6.827 1.00 0.00 H new ATOM 40 N CYS A 4 -2.015 7.143 -5.018 1.00 0.00 N ATOM 41 CA CYS A 4 -2.829 7.219 -3.810 1.00 0.00 C ATOM 42 C CYS A 4 -4.281 7.540 -4.144 1.00 0.00 C ATOM 43 O CYS A 4 -4.584 8.065 -5.215 1.00 0.00 O ATOM 44 CB CYS A 4 -2.274 8.280 -2.857 1.00 0.00 C ATOM 45 SG CYS A 4 -1.949 9.891 -3.642 1.00 0.00 S ATOM 0 H CYS A 4 -1.396 7.942 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.792 6.244 -3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.980 8.423 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.348 7.909 -2.418 1.00 0.00 H new ATOM 50 N TRP A 5 -5.173 7.225 -3.211 1.00 0.00 N ATOM 51 CA TRP A 5 -6.596 7.484 -3.391 1.00 0.00 C ATOM 52 C TRP A 5 -6.937 8.912 -2.971 1.00 0.00 C ATOM 53 O TRP A 5 -7.911 9.495 -3.449 1.00 0.00 O ATOM 54 CB TRP A 5 -7.423 6.487 -2.575 1.00 0.00 C ATOM 55 CG TRP A 5 -6.937 6.330 -1.168 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.098 5.368 -0.693 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.259 7.164 -0.055 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.873 5.553 0.650 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.578 6.653 1.065 1.00 0.00 C ATOM 60 CE3 TRP A 5 -8.055 8.294 0.097 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.674 7.241 2.324 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -8.152 8.878 1.344 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.465 8.352 2.445 1.00 0.00 C ATOM 0 H TRP A 5 -4.934 6.789 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.837 7.364 -4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.463 6.814 -2.559 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.402 5.516 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.671 4.574 -1.287 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.280 4.969 1.240 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.588 8.708 -0.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.144 6.836 3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.768 9.756 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.561 8.832 3.408 1.00 0.00 H new ATOM 74 N ALA A 6 -6.126 9.469 -2.075 1.00 0.00 N ATOM 75 CA ALA A 6 -6.334 10.827 -1.588 1.00 0.00 C ATOM 76 C ALA A 6 -6.205 11.844 -2.717 1.00 0.00 C ATOM 77 O ALA A 6 -6.840 12.900 -2.693 1.00 0.00 O ATOM 78 CB ALA A 6 -5.341 11.142 -0.480 1.00 0.00 C ATOM 0 H ALA A 6 -5.317 8.998 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.347 10.893 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.505 12.159 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.480 10.441 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.325 11.052 -0.865 1.00 0.00 H new ATOM 84 N GLN A 7 -5.376 11.521 -3.706 1.00 0.00 N ATOM 85 CA GLN A 7 -5.162 12.408 -4.844 1.00 0.00 C ATOM 86 C GLN A 7 -6.407 12.487 -5.721 1.00 0.00 C ATOM 87 O GLN A 7 -6.616 13.474 -6.427 1.00 0.00 O ATOM 88 CB GLN A 7 -3.968 11.930 -5.673 1.00 0.00 C ATOM 89 CG GLN A 7 -4.163 10.551 -6.281 1.00 0.00 C ATOM 90 CD GLN A 7 -4.118 10.567 -7.797 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.151 10.479 -8.460 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.917 10.681 -8.352 1.00 0.00 N ATOM 0 H GLN A 7 -4.842 10.652 -3.742 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.952 13.405 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.781 12.647 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.080 11.917 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.390 9.881 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.121 10.147 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.087 10.751 -7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.824 10.698 -9.368 1.00 0.00 H new ATOM 101 N SER A 8 -7.235 11.447 -5.669 1.00 0.00 N ATOM 102 CA SER A 8 -8.462 11.407 -6.459 1.00 0.00 C ATOM 103 C SER A 8 -9.308 12.655 -6.217 1.00 0.00 C ATOM 104 O SER A 8 -10.098 13.056 -7.072 1.00 0.00 O ATOM 105 CB SER A 8 -9.272 10.155 -6.119 1.00 0.00 C ATOM 106 OG SER A 8 -8.501 8.981 -6.310 1.00 0.00 O ATOM 0 H SER A 8 -7.079 10.622 -5.089 1.00 0.00 H new ATOM 0 HA SER A 8 -8.184 11.377 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.611 10.207 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.164 10.114 -6.745 1.00 0.00 H new ATOM 0 HG SER A 8 -8.001 8.781 -5.491 1.00 0.00 H new ATOM 112 N GLN A 9 -9.133 13.265 -5.049 1.00 0.00 N ATOM 113 CA GLN A 9 -9.878 14.468 -4.695 1.00 0.00 C ATOM 114 C GLN A 9 -9.037 15.719 -4.927 1.00 0.00 C ATOM 115 O GLN A 9 -9.570 16.791 -5.214 1.00 0.00 O ATOM 116 CB GLN A 9 -10.328 14.403 -3.234 1.00 0.00 C ATOM 117 CG GLN A 9 -10.959 13.076 -2.850 1.00 0.00 C ATOM 118 CD GLN A 9 -12.041 13.227 -1.798 1.00 0.00 C ATOM 119 OE1 GLN A 9 -13.143 13.693 -2.088 1.00 0.00 O ATOM 120 NE2 GLN A 9 -11.730 12.835 -0.568 1.00 0.00 N ATOM 0 H GLN A 9 -8.482 12.946 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.758 14.522 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.468 14.587 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.044 15.204 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.384 12.609 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.186 12.405 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.804 12.454 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.417 12.914 0.182 1.00 0.00 H new ATOM 129 N GLY A 10 -7.721 15.576 -4.802 1.00 0.00 N ATOM 130 CA GLY A 10 -6.833 16.707 -5.004 1.00 0.00 C ATOM 131 C GLY A 10 -5.617 16.672 -4.096 1.00 0.00 C ATOM 132 O GLY A 10 -4.617 17.339 -4.365 1.00 0.00 O ATOM 0 H GLY A 10 -7.255 14.700 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.504 16.723 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.384 17.631 -4.830 1.00 0.00 H new ATOM 136 N TYR A 11 -5.698 15.897 -3.019 1.00 0.00 N ATOM 137 CA TYR A 11 -4.592 15.785 -2.073 1.00 0.00 C ATOM 138 C TYR A 11 -3.389 15.108 -2.724 1.00 0.00 C ATOM 139 O TYR A 11 -3.391 14.835 -3.924 1.00 0.00 O ATOM 140 CB TYR A 11 -5.029 14.992 -0.839 1.00 0.00 C ATOM 141 CG TYR A 11 -5.806 15.808 0.169 1.00 0.00 C ATOM 142 CD1 TYR A 11 -5.155 16.620 1.091 1.00 0.00 C ATOM 143 CD2 TYR A 11 -7.195 15.761 0.202 1.00 0.00 C ATOM 144 CE1 TYR A 11 -5.865 17.360 2.016 1.00 0.00 C ATOM 145 CE2 TYR A 11 -7.910 16.500 1.123 1.00 0.00 C ATOM 146 CZ TYR A 11 -7.242 17.297 2.028 1.00 0.00 C ATOM 147 OH TYR A 11 -7.953 18.033 2.948 1.00 0.00 O ATOM 0 H TYR A 11 -6.517 15.338 -2.779 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.302 16.791 -1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.641 14.149 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.145 14.578 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.076 16.673 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.723 15.137 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.344 17.985 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.989 16.454 1.135 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.912 17.877 2.821 1.00 0.00 H new ATOM 157 N ASN A 12 -2.364 14.837 -1.923 1.00 0.00 N ATOM 158 CA ASN A 12 -1.157 14.186 -2.418 1.00 0.00 C ATOM 159 C ASN A 12 -0.854 12.933 -1.603 1.00 0.00 C ATOM 160 O ASN A 12 -1.342 12.778 -0.484 1.00 0.00 O ATOM 161 CB ASN A 12 0.030 15.149 -2.357 1.00 0.00 C ATOM 162 CG ASN A 12 1.263 14.591 -3.040 1.00 0.00 C ATOM 163 OD1 ASN A 12 1.165 13.868 -4.032 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.435 14.923 -2.509 1.00 0.00 N ATOM 0 H ASN A 12 -2.345 15.058 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.324 13.897 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.247 16.093 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.263 15.368 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.300 14.576 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.470 15.525 -1.686 1.00 0.00 H new ATOM 171 N CYS A 13 -0.051 12.040 -2.169 1.00 0.00 N ATOM 172 CA CYS A 13 0.309 10.802 -1.488 1.00 0.00 C ATOM 173 C CYS A 13 1.344 11.062 -0.400 1.00 0.00 C ATOM 174 O CYS A 13 2.221 11.911 -0.553 1.00 0.00 O ATOM 175 CB CYS A 13 0.851 9.780 -2.486 1.00 0.00 C ATOM 176 SG CYS A 13 0.024 9.803 -4.110 1.00 0.00 S ATOM 0 H CYS A 13 0.362 12.149 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.591 10.401 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.916 9.962 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.753 8.783 -2.056 1.00 0.00 H new ATOM 181 N CYS A 14 1.235 10.324 0.699 1.00 0.00 N ATOM 182 CA CYS A 14 2.161 10.473 1.816 1.00 0.00 C ATOM 183 C CYS A 14 3.222 9.381 1.786 1.00 0.00 C ATOM 184 O CYS A 14 2.929 8.226 1.481 1.00 0.00 O ATOM 185 CB CYS A 14 1.404 10.416 3.144 1.00 0.00 C ATOM 186 SG CYS A 14 1.646 11.870 4.218 1.00 0.00 S ATOM 0 H CYS A 14 0.514 9.616 0.841 1.00 0.00 H new ATOM 0 HA CYS A 14 2.651 11.442 1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.340 10.307 2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.716 9.524 3.687 1.00 0.00 H new ATOM 191 N ASN A 15 4.451 9.752 2.115 1.00 0.00 N ATOM 192 CA ASN A 15 5.551 8.802 2.137 1.00 0.00 C ATOM 193 C ASN A 15 5.493 7.951 3.403 1.00 0.00 C ATOM 194 O ASN A 15 4.808 8.305 4.360 1.00 0.00 O ATOM 195 CB ASN A 15 6.885 9.539 2.045 1.00 0.00 C ATOM 196 CG ASN A 15 7.142 10.431 3.242 1.00 0.00 C ATOM 197 OD1 ASN A 15 6.325 11.285 3.583 1.00 0.00 O ATOM 198 ND2 ASN A 15 8.285 10.235 3.883 1.00 0.00 N ATOM 0 H ASN A 15 4.710 10.705 2.370 1.00 0.00 H new ATOM 0 HA ASN A 15 5.461 8.141 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.692 8.812 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.901 10.142 1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.518 10.805 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.932 9.514 3.563 1.00 0.00 H new ATOM 205 N ASN A 16 6.198 6.820 3.390 1.00 0.00 N ATOM 206 CA ASN A 16 6.221 5.890 4.525 1.00 0.00 C ATOM 207 C ASN A 16 4.901 5.905 5.303 1.00 0.00 C ATOM 208 O ASN A 16 4.891 6.048 6.525 1.00 0.00 O ATOM 209 CB ASN A 16 7.397 6.188 5.466 1.00 0.00 C ATOM 210 CG ASN A 16 7.263 7.507 6.203 1.00 0.00 C ATOM 211 OD1 ASN A 16 6.464 7.640 7.128 1.00 0.00 O ATOM 212 ND2 ASN A 16 8.069 8.484 5.810 1.00 0.00 N ATOM 0 H ASN A 16 6.767 6.521 2.598 1.00 0.00 H new ATOM 0 HA ASN A 16 6.354 4.891 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.483 5.381 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.321 6.196 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.041 9.389 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.717 8.331 5.038 1.00 0.00 H new ATOM 219 N PRO A 17 3.765 5.743 4.602 1.00 0.00 N ATOM 220 CA PRO A 17 2.441 5.731 5.237 1.00 0.00 C ATOM 221 C PRO A 17 2.302 4.615 6.269 1.00 0.00 C ATOM 222 O PRO A 17 1.359 4.602 7.059 1.00 0.00 O ATOM 223 CB PRO A 17 1.477 5.502 4.066 1.00 0.00 C ATOM 224 CG PRO A 17 2.318 4.928 2.979 1.00 0.00 C ATOM 225 CD PRO A 17 3.676 5.544 3.146 1.00 0.00 C ATOM 0 HA PRO A 17 2.249 6.653 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.673 4.820 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.009 6.435 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.369 3.842 3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.901 5.159 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.466 4.889 2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.763 6.485 2.603 1.00 0.00 H new ATOM 233 N SER A 18 3.248 3.681 6.256 1.00 0.00 N ATOM 234 CA SER A 18 3.231 2.560 7.190 1.00 0.00 C ATOM 235 C SER A 18 3.544 3.020 8.614 1.00 0.00 C ATOM 236 O SER A 18 3.372 2.263 9.569 1.00 0.00 O ATOM 237 CB SER A 18 4.237 1.494 6.756 1.00 0.00 C ATOM 238 OG SER A 18 3.889 0.946 5.496 1.00 0.00 O ATOM 0 H SER A 18 4.036 3.678 5.609 1.00 0.00 H new ATOM 0 HA SER A 18 2.228 2.134 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.234 1.931 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.276 0.701 7.503 1.00 0.00 H new ATOM 0 HG SER A 18 4.549 0.268 5.241 1.00 0.00 H new ATOM 244 N SER A 19 4.002 4.261 8.753 1.00 0.00 N ATOM 245 CA SER A 19 4.332 4.810 10.063 1.00 0.00 C ATOM 246 C SER A 19 3.865 6.258 10.185 1.00 0.00 C ATOM 247 O SER A 19 4.216 6.955 11.137 1.00 0.00 O ATOM 248 CB SER A 19 5.840 4.726 10.309 1.00 0.00 C ATOM 249 OG SER A 19 6.120 4.418 11.663 1.00 0.00 O ATOM 0 H SER A 19 4.153 4.904 7.976 1.00 0.00 H new ATOM 0 HA SER A 19 3.813 4.217 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.275 3.964 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.308 5.674 10.044 1.00 0.00 H new ATOM 0 HG SER A 19 7.090 4.369 11.793 1.00 0.00 H new ATOM 255 N THR A 20 3.072 6.707 9.216 1.00 0.00 N ATOM 256 CA THR A 20 2.560 8.060 9.209 1.00 0.00 C ATOM 257 C THR A 20 1.446 8.223 10.239 1.00 0.00 C ATOM 258 O THR A 20 0.463 7.481 10.227 1.00 0.00 O ATOM 259 CB THR A 20 2.042 8.390 7.811 1.00 0.00 C ATOM 260 OG1 THR A 20 3.115 8.546 6.901 1.00 0.00 O ATOM 261 CG2 THR A 20 1.214 9.646 7.763 1.00 0.00 C ATOM 0 H THR A 20 2.772 6.142 8.422 1.00 0.00 H new ATOM 0 HA THR A 20 3.363 8.748 9.474 1.00 0.00 H new ATOM 0 HB THR A 20 1.409 7.547 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.640 7.719 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.878 9.822 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.348 9.536 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.815 10.491 8.097 1.00 0.00 H new ATOM 269 N LYS A 21 1.600 9.204 11.121 1.00 0.00 N ATOM 270 CA LYS A 21 0.598 9.466 12.146 1.00 0.00 C ATOM 271 C LYS A 21 -0.646 10.089 11.524 1.00 0.00 C ATOM 272 O LYS A 21 -0.605 11.215 11.028 1.00 0.00 O ATOM 273 CB LYS A 21 1.167 10.394 13.222 1.00 0.00 C ATOM 274 CG LYS A 21 0.196 10.673 14.357 1.00 0.00 C ATOM 275 CD LYS A 21 -0.673 11.886 14.064 1.00 0.00 C ATOM 276 CE LYS A 21 -1.006 12.657 15.331 1.00 0.00 C ATOM 277 NZ LYS A 21 -0.358 13.998 15.352 1.00 0.00 N ATOM 0 H LYS A 21 2.406 9.829 11.147 1.00 0.00 H new ATOM 0 HA LYS A 21 0.322 8.519 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.074 9.949 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.455 11.339 12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.438 9.801 14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.752 10.837 15.280 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.157 12.543 13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.595 11.565 13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.087 12.775 15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.683 12.084 16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.610 14.492 16.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.675 13.885 15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.686 14.555 14.537 1.00 0.00 H new ATOM 291 N VAL A 22 -1.750 9.352 11.552 1.00 0.00 N ATOM 292 CA VAL A 22 -2.994 9.827 10.996 1.00 0.00 C ATOM 293 C VAL A 22 -3.793 10.563 12.057 1.00 0.00 C ATOM 294 O VAL A 22 -4.512 9.953 12.850 1.00 0.00 O ATOM 295 CB VAL A 22 -3.829 8.657 10.435 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.254 9.096 10.133 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.165 8.084 9.193 1.00 0.00 C ATOM 0 H VAL A 22 -1.800 8.418 11.959 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.761 10.510 10.179 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.877 7.876 11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.819 8.251 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.726 9.453 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.239 9.898 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.765 7.259 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.084 8.861 8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.169 7.721 9.447 1.00 0.00 H new ATOM 307 N GLU A 23 -3.677 11.877 12.050 1.00 0.00 N ATOM 308 CA GLU A 23 -4.403 12.707 12.998 1.00 0.00 C ATOM 309 C GLU A 23 -5.816 12.952 12.494 1.00 0.00 C ATOM 310 O GLU A 23 -6.632 13.575 13.174 1.00 0.00 O ATOM 311 CB GLU A 23 -3.687 14.046 13.214 1.00 0.00 C ATOM 312 CG GLU A 23 -2.935 14.555 11.993 1.00 0.00 C ATOM 313 CD GLU A 23 -2.490 15.996 12.139 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.290 16.224 12.402 1.00 0.00 O ATOM 315 OE2 GLU A 23 -3.341 16.898 11.993 1.00 0.00 O ATOM 0 H GLU A 23 -3.087 12.395 11.399 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.444 12.182 13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.422 14.794 13.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.985 13.941 14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.062 13.925 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.573 14.463 11.114 1.00 0.00 H new ATOM 322 N TYR A 24 -6.101 12.463 11.288 1.00 0.00 N ATOM 323 CA TYR A 24 -7.424 12.643 10.695 1.00 0.00 C ATOM 324 C TYR A 24 -7.939 11.368 10.036 1.00 0.00 C ATOM 325 O TYR A 24 -7.229 10.721 9.267 1.00 0.00 O ATOM 326 CB TYR A 24 -7.399 13.780 9.674 1.00 0.00 C ATOM 327 CG TYR A 24 -8.768 14.342 9.370 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.118 15.624 9.772 1.00 0.00 C ATOM 329 CD2 TYR A 24 -9.713 13.589 8.682 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.370 16.141 9.498 1.00 0.00 C ATOM 331 CE2 TYR A 24 -10.967 14.099 8.403 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.291 15.375 8.814 1.00 0.00 C ATOM 333 OH TYR A 24 -12.538 15.887 8.538 1.00 0.00 O ATOM 0 H TYR A 24 -5.441 11.945 10.708 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.107 12.895 11.506 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.760 14.580 10.048 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.949 13.419 8.749 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.400 16.227 10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.463 12.589 8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.626 17.140 9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.689 13.502 7.866 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.065 15.220 8.050 1.00 0.00 H new ATOM 343 N THR A 25 -9.191 11.029 10.320 1.00 0.00 N ATOM 344 CA THR A 25 -9.817 9.850 9.736 1.00 0.00 C ATOM 345 C THR A 25 -11.327 10.034 9.653 1.00 0.00 C ATOM 346 O THR A 25 -11.986 10.307 10.656 1.00 0.00 O ATOM 347 CB THR A 25 -9.493 8.599 10.550 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.095 8.466 10.732 1.00 0.00 O ATOM 349 CG2 THR A 25 -9.998 7.327 9.902 1.00 0.00 C ATOM 0 H THR A 25 -9.793 11.556 10.953 1.00 0.00 H new ATOM 0 HA THR A 25 -9.417 9.723 8.730 1.00 0.00 H new ATOM 0 HB THR A 25 -10.000 8.731 11.506 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.909 7.660 11.257 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.738 6.472 10.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.081 7.380 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.539 7.212 8.920 1.00 0.00 H new ATOM 357 N ASP A 26 -11.868 9.887 8.451 1.00 0.00 N ATOM 358 CA ASP A 26 -13.300 10.040 8.236 1.00 0.00 C ATOM 359 C ASP A 26 -13.806 9.001 7.233 1.00 0.00 C ATOM 360 O ASP A 26 -13.228 7.921 7.109 1.00 0.00 O ATOM 361 CB ASP A 26 -13.604 11.464 7.753 1.00 0.00 C ATOM 362 CG ASP A 26 -13.058 11.740 6.366 1.00 0.00 C ATOM 363 OD1 ASP A 26 -12.137 11.014 5.936 1.00 0.00 O ATOM 364 OD2 ASP A 26 -13.551 12.680 5.709 1.00 0.00 O ATOM 0 H ASP A 26 -11.336 9.662 7.610 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.821 9.875 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -14.683 11.621 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.178 12.180 8.456 1.00 0.00 H new ATOM 369 N ALA A 27 -14.884 9.324 6.520 1.00 0.00 N ATOM 370 CA ALA A 27 -15.448 8.406 5.538 1.00 0.00 C ATOM 371 C ALA A 27 -14.618 8.368 4.257 1.00 0.00 C ATOM 372 O ALA A 27 -14.938 7.631 3.324 1.00 0.00 O ATOM 373 CB ALA A 27 -16.887 8.789 5.225 1.00 0.00 C ATOM 0 H ALA A 27 -15.381 10.211 6.605 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.430 7.406 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.296 8.096 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.482 8.744 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.915 9.802 4.823 1.00 0.00 H new ATOM 379 N SER A 28 -13.545 9.155 4.215 1.00 0.00 N ATOM 380 CA SER A 28 -12.674 9.194 3.049 1.00 0.00 C ATOM 381 C SER A 28 -11.514 8.223 3.226 1.00 0.00 C ATOM 382 O SER A 28 -11.006 7.659 2.257 1.00 0.00 O ATOM 383 CB SER A 28 -12.141 10.610 2.827 1.00 0.00 C ATOM 384 OG SER A 28 -11.950 10.873 1.449 1.00 0.00 O ATOM 0 H SER A 28 -13.261 9.772 4.975 1.00 0.00 H new ATOM 0 HA SER A 28 -13.254 8.898 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.840 11.335 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.197 10.734 3.358 1.00 0.00 H new ATOM 0 HG SER A 28 -12.810 11.096 1.036 1.00 0.00 H new ATOM 390 N GLY A 29 -11.105 8.030 4.475 1.00 0.00 N ATOM 391 CA GLY A 29 -10.014 7.124 4.767 1.00 0.00 C ATOM 392 C GLY A 29 -9.118 7.627 5.881 1.00 0.00 C ATOM 393 O GLY A 29 -9.594 7.967 6.966 1.00 0.00 O ATOM 0 H GLY A 29 -11.512 8.487 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.420 6.151 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.419 6.977 3.866 1.00 0.00 H new ATOM 397 N GLN A 30 -7.816 7.670 5.615 1.00 0.00 N ATOM 398 CA GLN A 30 -6.845 8.126 6.599 1.00 0.00 C ATOM 399 C GLN A 30 -6.015 9.283 6.050 1.00 0.00 C ATOM 400 O GLN A 30 -5.708 9.326 4.858 1.00 0.00 O ATOM 401 CB GLN A 30 -5.923 6.970 6.999 1.00 0.00 C ATOM 402 CG GLN A 30 -6.666 5.736 7.487 1.00 0.00 C ATOM 403 CD GLN A 30 -7.417 5.024 6.377 1.00 0.00 C ATOM 404 OE1 GLN A 30 -8.596 4.701 6.518 1.00 0.00 O ATOM 405 NE2 GLN A 30 -6.736 4.778 5.263 1.00 0.00 N ATOM 0 H GLN A 30 -7.410 7.393 4.721 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.388 8.477 7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.306 6.697 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.248 7.311 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.955 5.045 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.370 6.026 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.760 5.063 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.190 4.304 4.482 1.00 0.00 H new ATOM 414 N TRP A 31 -5.651 10.216 6.923 1.00 0.00 N ATOM 415 CA TRP A 31 -4.853 11.368 6.521 1.00 0.00 C ATOM 416 C TRP A 31 -3.863 11.750 7.615 1.00 0.00 C ATOM 417 O TRP A 31 -4.146 11.599 8.803 1.00 0.00 O ATOM 418 CB TRP A 31 -5.752 12.564 6.199 1.00 0.00 C ATOM 419 CG TRP A 31 -6.969 12.205 5.404 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.101 11.597 5.865 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.177 12.436 4.007 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.001 11.436 4.840 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.457 11.944 3.688 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.405 13.013 2.994 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -8.980 12.011 2.399 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -6.926 13.078 1.716 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.202 12.581 1.428 1.00 0.00 C ATOM 0 H TRP A 31 -5.896 10.197 7.913 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.298 11.091 5.625 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.064 13.034 7.132 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.173 13.304 5.647 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.265 11.288 6.887 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.923 11.008 4.922 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.420 13.401 3.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -9.964 11.627 2.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.338 13.520 0.925 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.581 12.649 0.419 1.00 0.00 H new ATOM 438 N GLY A 32 -2.702 12.248 7.206 1.00 0.00 N ATOM 439 CA GLY A 32 -1.688 12.645 8.164 1.00 0.00 C ATOM 440 C GLY A 32 -0.721 13.661 7.593 1.00 0.00 C ATOM 441 O GLY A 32 -0.353 13.590 6.421 1.00 0.00 O ATOM 0 H GLY A 32 -2.445 12.384 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.170 13.063 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.135 11.764 8.490 1.00 0.00 H new ATOM 445 N VAL A 33 -0.307 14.611 8.426 1.00 0.00 N ATOM 446 CA VAL A 33 0.625 15.645 7.996 1.00 0.00 C ATOM 447 C VAL A 33 2.060 15.141 8.041 1.00 0.00 C ATOM 448 O VAL A 33 2.670 15.069 9.108 1.00 0.00 O ATOM 449 CB VAL A 33 0.517 16.910 8.872 1.00 0.00 C ATOM 450 CG1 VAL A 33 1.544 17.951 8.443 1.00 0.00 C ATOM 451 CG2 VAL A 33 -0.890 17.481 8.811 1.00 0.00 C ATOM 0 H VAL A 33 -0.602 14.685 9.400 1.00 0.00 H new ATOM 0 HA VAL A 33 0.357 15.899 6.970 1.00 0.00 H new ATOM 0 HB VAL A 33 0.728 16.633 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.451 18.835 9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.547 17.536 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.370 18.227 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.948 18.373 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.132 17.742 7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.600 16.738 9.174 1.00 0.00 H new ATOM 461 N GLN A 34 2.602 14.809 6.877 1.00 0.00 N ATOM 462 CA GLN A 34 3.972 14.332 6.793 1.00 0.00 C ATOM 463 C GLN A 34 4.835 15.330 6.034 1.00 0.00 C ATOM 464 O GLN A 34 4.437 15.839 4.987 1.00 0.00 O ATOM 465 CB GLN A 34 4.031 12.963 6.118 1.00 0.00 C ATOM 466 CG GLN A 34 5.227 12.135 6.556 1.00 0.00 C ATOM 467 CD GLN A 34 4.842 10.736 6.994 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.084 10.557 7.947 1.00 0.00 O ATOM 469 NE2 GLN A 34 5.368 9.735 6.299 1.00 0.00 N ATOM 0 H GLN A 34 2.115 14.861 5.982 1.00 0.00 H new ATOM 0 HA GLN A 34 4.359 14.231 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.116 12.415 6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.066 13.098 5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.940 12.070 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.733 12.642 7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.992 9.930 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.148 8.771 6.548 1.00 0.00 H new ATOM 478 N ASN A 35 6.014 15.612 6.577 1.00 0.00 N ATOM 479 CA ASN A 35 6.943 16.556 5.965 1.00 0.00 C ATOM 480 C ASN A 35 6.248 17.872 5.615 1.00 0.00 C ATOM 481 O ASN A 35 6.628 18.553 4.663 1.00 0.00 O ATOM 482 CB ASN A 35 7.592 15.935 4.721 1.00 0.00 C ATOM 483 CG ASN A 35 6.671 15.915 3.514 1.00 0.00 C ATOM 484 OD1 ASN A 35 6.529 16.913 2.809 1.00 0.00 O ATOM 485 ND2 ASN A 35 6.043 14.771 3.269 1.00 0.00 N ATOM 0 H ASN A 35 6.351 15.197 7.446 1.00 0.00 H new ATOM 0 HA ASN A 35 7.725 16.779 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.494 16.494 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.902 14.915 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.414 14.696 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.190 13.968 3.880 1.00 0.00 H new ATOM 492 N GLY A 36 5.234 18.225 6.400 1.00 0.00 N ATOM 493 CA GLY A 36 4.507 19.460 6.167 1.00 0.00 C ATOM 494 C GLY A 36 3.665 19.418 4.907 1.00 0.00 C ATOM 495 O GLY A 36 3.663 20.368 4.124 1.00 0.00 O ATOM 0 H GLY A 36 4.903 17.677 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.863 19.664 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.215 20.286 6.098 1.00 0.00 H new ATOM 499 N GLN A 37 2.946 18.317 4.710 1.00 0.00 N ATOM 500 CA GLN A 37 2.098 18.165 3.534 1.00 0.00 C ATOM 501 C GLN A 37 0.936 17.216 3.813 1.00 0.00 C ATOM 502 O GLN A 37 1.137 16.084 4.251 1.00 0.00 O ATOM 503 CB GLN A 37 2.918 17.650 2.351 1.00 0.00 C ATOM 504 CG GLN A 37 4.087 18.551 1.986 1.00 0.00 C ATOM 505 CD GLN A 37 4.642 18.256 0.606 1.00 0.00 C ATOM 506 OE1 GLN A 37 5.534 17.424 0.448 1.00 0.00 O ATOM 507 NE2 GLN A 37 4.113 18.939 -0.403 1.00 0.00 N ATOM 0 H GLN A 37 2.934 17.520 5.347 1.00 0.00 H new ATOM 0 HA GLN A 37 1.689 19.145 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.296 16.655 2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.265 17.546 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.766 19.592 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.879 18.430 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.374 19.620 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.445 18.782 -1.355 1.00 0.00 H new ATOM 516 N TRP A 38 -0.280 17.686 3.549 1.00 0.00 N ATOM 517 CA TRP A 38 -1.477 16.880 3.766 1.00 0.00 C ATOM 518 C TRP A 38 -1.548 15.742 2.755 1.00 0.00 C ATOM 519 O TRP A 38 -1.821 15.967 1.575 1.00 0.00 O ATOM 520 CB TRP A 38 -2.732 17.746 3.651 1.00 0.00 C ATOM 521 CG TRP A 38 -3.205 18.296 4.961 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.573 19.583 5.219 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.364 17.577 6.190 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.950 19.714 6.534 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.830 18.496 7.150 1.00 0.00 C ATOM 526 CE3 TRP A 38 -3.159 16.249 6.573 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -4.094 18.127 8.467 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.420 15.884 7.881 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.884 16.820 8.814 1.00 0.00 C ATOM 0 H TRP A 38 -0.462 18.621 3.184 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.424 16.459 4.770 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.531 18.574 2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.532 17.154 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.569 20.384 4.495 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.267 20.576 6.978 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.803 15.520 5.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.452 18.847 9.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.264 14.860 8.188 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.080 16.504 9.828 1.00 0.00 H new ATOM 540 N CYS A 39 -1.304 14.522 3.216 1.00 0.00 N ATOM 541 CA CYS A 39 -1.348 13.359 2.339 1.00 0.00 C ATOM 542 C CYS A 39 -2.001 12.169 3.033 1.00 0.00 C ATOM 543 O CYS A 39 -1.762 11.916 4.213 1.00 0.00 O ATOM 544 CB CYS A 39 0.059 12.979 1.862 1.00 0.00 C ATOM 545 SG CYS A 39 1.411 13.466 2.985 1.00 0.00 S ATOM 0 H CYS A 39 -1.075 14.312 4.188 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.952 13.627 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.098 11.899 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.233 13.437 0.888 1.00 0.00 H new ATOM 550 N GLY A 40 -2.826 11.441 2.287 1.00 0.00 N ATOM 551 CA GLY A 40 -3.504 10.285 2.840 1.00 0.00 C ATOM 552 C GLY A 40 -2.556 9.134 3.109 1.00 0.00 C ATOM 553 O GLY A 40 -1.459 9.082 2.553 1.00 0.00 O ATOM 0 H GLY A 40 -3.037 11.632 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.001 10.568 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.281 9.958 2.149 1.00 0.00 H new ATOM 557 N ILE A 41 -2.978 8.209 3.964 1.00 0.00 N ATOM 558 CA ILE A 41 -2.156 7.056 4.306 1.00 0.00 C ATOM 559 C ILE A 41 -2.488 5.863 3.413 1.00 0.00 C ATOM 560 O ILE A 41 -3.492 5.181 3.615 1.00 0.00 O ATOM 561 CB ILE A 41 -2.332 6.671 5.796 1.00 0.00 C ATOM 562 CG1 ILE A 41 -1.390 7.504 6.660 1.00 0.00 C ATOM 563 CG2 ILE A 41 -2.085 5.186 6.023 1.00 0.00 C ATOM 564 CD1 ILE A 41 -1.702 8.982 6.626 1.00 0.00 C ATOM 0 H ILE A 41 -3.884 8.236 4.432 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.115 7.333 4.141 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.363 6.880 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.445 7.151 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.365 7.348 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.217 4.952 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.792 4.605 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.068 4.936 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.996 9.518 7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.620 9.348 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.716 9.148 6.990 1.00 0.00 H new ATOM 576 N ASP A 42 -1.629 5.618 2.430 1.00 0.00 N ATOM 577 CA ASP A 42 -1.819 4.507 1.508 1.00 0.00 C ATOM 578 C ASP A 42 -0.551 3.666 1.413 1.00 0.00 C ATOM 579 O ASP A 42 0.387 4.022 0.701 1.00 0.00 O ATOM 580 CB ASP A 42 -2.206 5.020 0.118 1.00 0.00 C ATOM 581 CG ASP A 42 -3.352 4.233 -0.488 1.00 0.00 C ATOM 582 OD1 ASP A 42 -3.452 4.195 -1.733 1.00 0.00 O ATOM 583 OD2 ASP A 42 -4.148 3.654 0.280 1.00 0.00 O ATOM 0 H ASP A 42 -0.793 6.175 2.252 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.627 3.885 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.486 6.071 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.340 4.963 -0.542 1.00 0.00 H new ATOM 588 N TYR A 43 -0.527 2.548 2.127 1.00 0.00 N ATOM 589 CA TYR A 43 0.633 1.664 2.105 1.00 0.00 C ATOM 590 C TYR A 43 0.926 1.206 0.677 1.00 0.00 C ATOM 591 O TYR A 43 2.051 0.828 0.351 1.00 0.00 O ATOM 592 CB TYR A 43 0.407 0.458 3.020 1.00 0.00 C ATOM 593 CG TYR A 43 -0.172 0.821 4.373 1.00 0.00 C ATOM 594 CD1 TYR A 43 -0.856 -0.121 5.131 1.00 0.00 C ATOM 595 CD2 TYR A 43 -0.037 2.105 4.892 1.00 0.00 C ATOM 596 CE1 TYR A 43 -1.387 0.204 6.365 1.00 0.00 C ATOM 597 CE2 TYR A 43 -0.565 2.438 6.125 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.239 1.485 6.857 1.00 0.00 C ATOM 599 OH TYR A 43 -1.766 1.811 8.085 1.00 0.00 O ATOM 0 H TYR A 43 -1.291 2.233 2.725 1.00 0.00 H new ATOM 0 HA TYR A 43 1.496 2.217 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.264 -0.243 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.356 -0.058 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.975 -1.124 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.490 2.855 4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.915 -0.541 6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.450 3.439 6.513 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.845 1.002 8.632 1.00 0.00 H new ATOM 609 N SER A 44 -0.097 1.266 -0.173 1.00 0.00 N ATOM 610 CA SER A 44 0.037 0.882 -1.572 1.00 0.00 C ATOM 611 C SER A 44 -0.187 2.094 -2.468 1.00 0.00 C ATOM 612 O SER A 44 -0.965 2.041 -3.422 1.00 0.00 O ATOM 613 CB SER A 44 -0.957 -0.225 -1.929 1.00 0.00 C ATOM 614 OG SER A 44 -2.002 -0.301 -0.974 1.00 0.00 O ATOM 0 H SER A 44 -1.032 1.579 0.087 1.00 0.00 H new ATOM 0 HA SER A 44 1.046 0.501 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.376 -0.036 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.437 -1.182 -1.981 1.00 0.00 H new ATOM 0 HG SER A 44 -2.624 -1.015 -1.226 1.00 0.00 H new ATOM 620 N TYR A 45 0.497 3.189 -2.159 1.00 0.00 N ATOM 621 CA TYR A 45 0.369 4.399 -2.933 1.00 0.00 C ATOM 622 C TYR A 45 1.429 4.416 -4.031 1.00 0.00 C ATOM 623 O TYR A 45 2.617 4.586 -3.764 1.00 0.00 O ATOM 624 CB TYR A 45 0.501 5.631 -2.028 1.00 0.00 C ATOM 625 CG TYR A 45 1.742 6.419 -2.319 1.00 0.00 C ATOM 626 CD1 TYR A 45 2.841 6.361 -1.483 1.00 0.00 C ATOM 627 CD2 TYR A 45 1.830 7.167 -3.477 1.00 0.00 C ATOM 628 CE1 TYR A 45 4.000 7.034 -1.794 1.00 0.00 C ATOM 629 CE2 TYR A 45 2.973 7.845 -3.795 1.00 0.00 C ATOM 630 CZ TYR A 45 4.066 7.778 -2.955 1.00 0.00 C ATOM 631 OH TYR A 45 5.220 8.454 -3.274 1.00 0.00 O ATOM 0 H TYR A 45 1.145 3.255 -1.374 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.618 4.427 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.372 6.270 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.511 5.314 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.789 5.780 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.981 7.217 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.853 6.981 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.021 8.431 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 45 5.132 8.847 -4.167 1.00 0.00 H new ATOM 641 N GLY A 46 0.972 4.243 -5.254 1.00 0.00 N ATOM 642 CA GLY A 46 1.829 4.234 -6.430 1.00 0.00 C ATOM 643 C GLY A 46 3.283 3.834 -6.200 1.00 0.00 C ATOM 644 O GLY A 46 4.162 4.255 -6.949 1.00 0.00 O ATOM 0 H GLY A 46 -0.016 4.103 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.398 3.552 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.813 5.230 -6.873 1.00 0.00 H new ATOM 648 N GLN A 47 3.544 3.028 -5.181 1.00 0.00 N ATOM 649 CA GLN A 47 4.902 2.593 -4.889 1.00 0.00 C ATOM 650 C GLN A 47 5.354 1.512 -5.866 1.00 0.00 C ATOM 651 O GLN A 47 4.640 1.181 -6.813 1.00 0.00 O ATOM 652 CB GLN A 47 4.993 2.092 -3.451 1.00 0.00 C ATOM 653 CG GLN A 47 4.599 3.148 -2.432 1.00 0.00 C ATOM 654 CD GLN A 47 5.538 3.193 -1.243 1.00 0.00 C ATOM 655 OE1 GLN A 47 5.103 3.173 -0.092 1.00 0.00 O ATOM 656 NE2 GLN A 47 6.837 3.254 -1.516 1.00 0.00 N ATOM 0 H GLN A 47 2.836 2.663 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 47 5.569 3.447 -5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.348 1.222 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.012 1.763 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.584 4.125 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.586 2.949 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.154 3.269 -2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.517 3.286 -0.756 1.00 0.00 H new ATOM 665 N ASN A 48 6.550 0.980 -5.641 1.00 0.00 N ATOM 666 CA ASN A 48 7.108 -0.047 -6.514 1.00 0.00 C ATOM 667 C ASN A 48 6.536 -1.430 -6.207 1.00 0.00 C ATOM 668 O ASN A 48 6.379 -1.810 -5.046 1.00 0.00 O ATOM 669 CB ASN A 48 8.631 -0.078 -6.386 1.00 0.00 C ATOM 670 CG ASN A 48 9.259 1.282 -6.617 1.00 0.00 C ATOM 671 OD1 ASN A 48 9.556 2.011 -5.671 1.00 0.00 O ATOM 672 ND2 ASN A 48 9.466 1.631 -7.882 1.00 0.00 N ATOM 0 H ASN A 48 7.153 1.243 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 48 6.831 0.209 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.902 -0.436 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.039 -0.790 -7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.887 2.534 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.204 0.995 -8.636 1.00 0.00 H new ATOM 679 N GLN A 49 6.246 -2.180 -7.267 1.00 0.00 N ATOM 680 CA GLN A 49 5.712 -3.534 -7.146 1.00 0.00 C ATOM 681 C GLN A 49 6.865 -4.551 -7.109 1.00 0.00 C ATOM 682 O GLN A 49 6.777 -5.646 -7.657 1.00 0.00 O ATOM 683 CB GLN A 49 4.719 -3.802 -8.303 1.00 0.00 C ATOM 684 CG GLN A 49 4.507 -5.266 -8.666 1.00 0.00 C ATOM 685 CD GLN A 49 5.352 -5.702 -9.848 1.00 0.00 C ATOM 686 OE1 GLN A 49 6.041 -4.891 -10.466 1.00 0.00 O ATOM 687 NE2 GLN A 49 5.303 -6.990 -10.166 1.00 0.00 N ATOM 0 H GLN A 49 6.374 -1.868 -8.230 1.00 0.00 H new ATOM 0 HA GLN A 49 5.162 -3.641 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.755 -3.369 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.071 -3.274 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.746 -5.889 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.454 -5.431 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.718 -7.627 -9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.851 -7.343 -10.951 1.00 0.00 H new ATOM 696 N GLY A 50 7.961 -4.169 -6.457 1.00 0.00 N ATOM 697 CA GLY A 50 9.113 -5.049 -6.363 1.00 0.00 C ATOM 698 C GLY A 50 9.000 -6.059 -5.232 1.00 0.00 C ATOM 699 O GLY A 50 9.952 -6.786 -4.951 1.00 0.00 O ATOM 0 H GLY A 50 8.071 -3.267 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.235 -5.581 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.011 -4.448 -6.218 1.00 0.00 H new ATOM 703 N ASN A 51 7.836 -6.110 -4.586 1.00 0.00 N ATOM 704 CA ASN A 51 7.609 -7.045 -3.487 1.00 0.00 C ATOM 705 C ASN A 51 8.477 -6.700 -2.280 1.00 0.00 C ATOM 706 O ASN A 51 9.134 -7.568 -1.705 1.00 0.00 O ATOM 707 CB ASN A 51 7.891 -8.478 -3.941 1.00 0.00 C ATOM 708 CG ASN A 51 7.477 -9.506 -2.906 1.00 0.00 C ATOM 709 OD1 ASN A 51 8.265 -10.372 -2.524 1.00 0.00 O ATOM 710 ND2 ASN A 51 6.235 -9.416 -2.445 1.00 0.00 N ATOM 0 H ASN A 51 7.037 -5.515 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 51 6.564 -6.964 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.361 -8.672 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.955 -8.587 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.901 -10.080 -1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.615 -8.683 -2.789 1.00 0.00 H new ATOM 717 N GLU A 52 8.474 -5.427 -1.898 1.00 0.00 N ATOM 718 CA GLU A 52 9.259 -4.970 -0.758 1.00 0.00 C ATOM 719 C GLU A 52 8.450 -5.058 0.535 1.00 0.00 C ATOM 720 O GLU A 52 9.018 -5.106 1.627 1.00 0.00 O ATOM 721 CB GLU A 52 9.730 -3.532 -0.980 1.00 0.00 C ATOM 722 CG GLU A 52 10.258 -3.273 -2.382 1.00 0.00 C ATOM 723 CD GLU A 52 11.444 -2.328 -2.394 1.00 0.00 C ATOM 724 OE1 GLU A 52 12.336 -2.505 -3.250 1.00 0.00 O ATOM 725 OE2 GLU A 52 11.480 -1.411 -1.546 1.00 0.00 O ATOM 0 H GLU A 52 7.937 -4.694 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 52 10.128 -5.621 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.901 -2.853 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.512 -3.299 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.548 -4.220 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.460 -2.856 -2.995 1.00 0.00 H new ATOM 732 N SER A 53 7.125 -5.072 0.409 1.00 0.00 N ATOM 733 CA SER A 53 6.252 -5.146 1.576 1.00 0.00 C ATOM 734 C SER A 53 4.856 -5.631 1.195 1.00 0.00 C ATOM 735 O SER A 53 4.391 -5.402 0.079 1.00 0.00 O ATOM 736 CB SER A 53 6.159 -3.776 2.250 1.00 0.00 C ATOM 737 OG SER A 53 5.932 -2.754 1.295 1.00 0.00 O ATOM 0 H SER A 53 6.635 -5.033 -0.485 1.00 0.00 H new ATOM 0 HA SER A 53 6.684 -5.865 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.351 -3.781 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.081 -3.571 2.795 1.00 0.00 H new ATOM 0 HG SER A 53 5.875 -1.888 1.750 1.00 0.00 H new ATOM 743 N CYS A 54 4.187 -6.294 2.135 1.00 0.00 N ATOM 744 CA CYS A 54 2.840 -6.802 1.901 1.00 0.00 C ATOM 745 C CYS A 54 1.838 -6.117 2.824 1.00 0.00 C ATOM 746 O CYS A 54 2.218 -5.503 3.820 1.00 0.00 O ATOM 747 CB CYS A 54 2.788 -8.320 2.106 1.00 0.00 C ATOM 748 SG CYS A 54 3.765 -8.930 3.518 1.00 0.00 S ATOM 0 H CYS A 54 4.556 -6.491 3.065 1.00 0.00 H new ATOM 0 HA CYS A 54 2.573 -6.580 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.749 -8.619 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.142 -8.808 1.198 1.00 0.00 H new ATOM 753 N THR A 55 0.556 -6.228 2.492 1.00 0.00 N ATOM 754 CA THR A 55 -0.493 -5.620 3.299 1.00 0.00 C ATOM 755 C THR A 55 -0.976 -6.596 4.361 1.00 0.00 C ATOM 756 O THR A 55 -1.026 -7.805 4.131 1.00 0.00 O ATOM 757 CB THR A 55 -1.667 -5.179 2.422 1.00 0.00 C ATOM 758 OG1 THR A 55 -1.240 -4.244 1.448 1.00 0.00 O ATOM 759 CG2 THR A 55 -2.795 -4.543 3.208 1.00 0.00 C ATOM 0 H THR A 55 0.220 -6.732 1.672 1.00 0.00 H new ATOM 0 HA THR A 55 -0.077 -4.740 3.789 1.00 0.00 H new ATOM 0 HB THR A 55 -2.040 -6.091 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.141 -4.694 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.595 -4.253 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.179 -5.258 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.424 -3.660 3.728 1.00 0.00 H new ATOM 767 N GLY A 56 -1.330 -6.067 5.523 1.00 0.00 N ATOM 768 CA GLY A 56 -1.804 -6.909 6.599 1.00 0.00 C ATOM 769 C GLY A 56 -0.725 -7.225 7.611 1.00 0.00 C ATOM 770 O GLY A 56 -0.958 -7.982 8.549 1.00 0.00 O ATOM 0 H GLY A 56 -1.297 -5.071 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.635 -6.415 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.191 -7.840 6.183 1.00 0.00 H new ATOM 774 N ASN A 57 0.458 -6.641 7.434 1.00 0.00 N ATOM 775 CA ASN A 57 1.561 -6.879 8.360 1.00 0.00 C ATOM 776 C ASN A 57 1.414 -6.047 9.633 1.00 0.00 C ATOM 777 O ASN A 57 2.317 -6.014 10.468 1.00 0.00 O ATOM 778 CB ASN A 57 2.915 -6.582 7.698 1.00 0.00 C ATOM 779 CG ASN A 57 2.900 -5.358 6.795 1.00 0.00 C ATOM 780 OD1 ASN A 57 3.624 -5.306 5.802 1.00 0.00 O ATOM 781 ND2 ASN A 57 2.086 -4.361 7.132 1.00 0.00 N ATOM 0 H ASN A 57 0.676 -6.006 6.666 1.00 0.00 H new ATOM 0 HA ASN A 57 1.526 -7.934 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.666 -6.440 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.222 -7.450 7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.048 -3.518 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.500 -4.440 7.963 1.00 0.00 H new ATOM 788 N GLY A 58 0.270 -5.380 9.785 1.00 0.00 N ATOM 789 CA GLY A 58 0.040 -4.572 10.964 1.00 0.00 C ATOM 790 C GLY A 58 -0.468 -5.391 12.134 1.00 0.00 C ATOM 791 O GLY A 58 -0.315 -4.995 13.289 1.00 0.00 O ATOM 0 H GLY A 58 -0.497 -5.387 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.968 -4.075 11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.682 -3.790 10.730 1.00 0.00 H new ATOM 795 N SER A 59 -1.074 -6.538 11.836 1.00 0.00 N ATOM 796 CA SER A 59 -1.603 -7.409 12.878 1.00 0.00 C ATOM 797 C SER A 59 -1.798 -8.836 12.367 1.00 0.00 C ATOM 798 O SER A 59 -1.409 -9.798 13.027 1.00 0.00 O ATOM 799 CB SER A 59 -2.929 -6.856 13.403 1.00 0.00 C ATOM 800 OG SER A 59 -3.884 -6.750 12.362 1.00 0.00 O ATOM 0 H SER A 59 -1.210 -6.883 10.886 1.00 0.00 H new ATOM 0 HA SER A 59 -0.877 -7.438 13.690 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.313 -7.507 14.188 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.766 -5.876 13.852 1.00 0.00 H new ATOM 0 HG SER A 59 -4.615 -7.383 12.523 1.00 0.00 H new ATOM 806 N TYR A 60 -2.404 -8.965 11.190 1.00 0.00 N ATOM 807 CA TYR A 60 -2.651 -10.278 10.596 1.00 0.00 C ATOM 808 C TYR A 60 -1.503 -10.675 9.665 1.00 0.00 C ATOM 809 O TYR A 60 -0.508 -9.961 9.562 1.00 0.00 O ATOM 810 CB TYR A 60 -3.981 -10.291 9.821 1.00 0.00 C ATOM 811 CG TYR A 60 -4.826 -9.047 9.986 1.00 0.00 C ATOM 812 CD1 TYR A 60 -4.987 -8.159 8.933 1.00 0.00 C ATOM 813 CD2 TYR A 60 -5.467 -8.767 11.186 1.00 0.00 C ATOM 814 CE1 TYR A 60 -5.761 -7.023 9.068 1.00 0.00 C ATOM 815 CE2 TYR A 60 -6.244 -7.633 11.330 1.00 0.00 C ATOM 816 CZ TYR A 60 -6.388 -6.764 10.268 1.00 0.00 C ATOM 817 OH TYR A 60 -7.161 -5.635 10.408 1.00 0.00 O ATOM 0 H TYR A 60 -2.733 -8.179 10.629 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.714 -11.003 11.408 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.766 -10.429 8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.564 -11.154 10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.499 -8.359 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.357 -9.446 12.019 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.874 -6.341 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.736 -7.428 12.269 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.532 -5.603 11.315 1.00 0.00 H new ATOM 827 N PRO A 61 -1.617 -11.826 8.977 1.00 0.00 N ATOM 828 CA PRO A 61 -0.586 -12.301 8.062 1.00 0.00 C ATOM 829 C PRO A 61 -0.808 -11.803 6.637 1.00 0.00 C ATOM 830 O PRO A 61 -1.926 -11.451 6.263 1.00 0.00 O ATOM 831 CB PRO A 61 -0.775 -13.811 8.130 1.00 0.00 C ATOM 832 CG PRO A 61 -2.246 -13.995 8.312 1.00 0.00 C ATOM 833 CD PRO A 61 -2.753 -12.768 9.037 1.00 0.00 C ATOM 0 HA PRO A 61 0.412 -11.954 8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.424 -14.297 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.215 -14.244 8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.744 -14.108 7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.455 -14.897 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.639 -12.356 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.028 -12.997 10.066 1.00 0.00 H new ATOM 841 N CYS A 62 0.256 -11.784 5.841 1.00 0.00 N ATOM 842 CA CYS A 62 0.161 -11.342 4.457 1.00 0.00 C ATOM 843 C CYS A 62 -0.493 -12.429 3.607 1.00 0.00 C ATOM 844 O CYS A 62 -0.384 -13.616 3.915 1.00 0.00 O ATOM 845 CB CYS A 62 1.545 -10.985 3.909 1.00 0.00 C ATOM 846 SG CYS A 62 2.367 -9.633 4.816 1.00 0.00 S ATOM 0 H CYS A 62 1.191 -12.069 6.131 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.459 -10.446 4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.179 -11.871 3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.449 -10.702 2.861 1.00 0.00 H new ATOM 851 N CYS A 63 -1.198 -12.019 2.560 1.00 0.00 N ATOM 852 CA CYS A 63 -1.896 -12.962 1.694 1.00 0.00 C ATOM 853 C CYS A 63 -0.967 -13.569 0.649 1.00 0.00 C ATOM 854 O CYS A 63 -0.554 -14.718 0.784 1.00 0.00 O ATOM 855 CB CYS A 63 -3.076 -12.261 1.010 1.00 0.00 C ATOM 856 SG CYS A 63 -4.720 -12.941 1.419 1.00 0.00 S ATOM 0 H CYS A 63 -1.302 -11.041 2.290 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.264 -13.778 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.059 -11.205 1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.935 -12.315 -0.070 1.00 0.00 H new ATOM 861 N ASN A 64 -0.669 -12.781 -0.389 1.00 0.00 N ATOM 862 CA ASN A 64 0.191 -13.186 -1.513 1.00 0.00 C ATOM 863 C ASN A 64 -0.588 -13.091 -2.819 1.00 0.00 C ATOM 864 O ASN A 64 -0.016 -12.864 -3.886 1.00 0.00 O ATOM 865 CB ASN A 64 0.746 -14.614 -1.357 1.00 0.00 C ATOM 866 CG ASN A 64 -0.249 -15.689 -1.768 1.00 0.00 C ATOM 867 OD1 ASN A 64 -1.222 -15.960 -1.066 1.00 0.00 O ATOM 868 ND2 ASN A 64 -0.005 -16.306 -2.918 1.00 0.00 N ATOM 0 H ASN A 64 -1.023 -11.828 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 64 1.041 -12.504 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.649 -14.714 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.036 -14.773 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.636 -17.035 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.814 -16.051 -3.470 1.00 0.00 H new ATOM 875 N THR A 65 -1.898 -13.272 -2.720 1.00 0.00 N ATOM 876 CA THR A 65 -2.774 -13.214 -3.876 1.00 0.00 C ATOM 877 C THR A 65 -2.948 -11.779 -4.359 1.00 0.00 C ATOM 878 O THR A 65 -3.017 -10.848 -3.557 1.00 0.00 O ATOM 879 CB THR A 65 -4.131 -13.817 -3.515 1.00 0.00 C ATOM 880 OG1 THR A 65 -4.911 -14.037 -4.676 1.00 0.00 O ATOM 881 CG2 THR A 65 -4.942 -12.948 -2.570 1.00 0.00 C ATOM 0 H THR A 65 -2.378 -13.462 -1.841 1.00 0.00 H new ATOM 0 HA THR A 65 -2.323 -13.788 -4.686 1.00 0.00 H new ATOM 0 HB THR A 65 -3.903 -14.757 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.774 -14.425 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.893 -13.434 -2.355 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.389 -12.806 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.127 -11.979 -3.035 1.00 0.00 H new ATOM 889 N CYS A 66 -3.030 -11.609 -5.674 1.00 0.00 N ATOM 890 CA CYS A 66 -3.210 -10.288 -6.258 1.00 0.00 C ATOM 891 C CYS A 66 -4.674 -10.062 -6.605 1.00 0.00 C ATOM 892 O CYS A 66 -5.002 -9.430 -7.610 1.00 0.00 O ATOM 893 CB CYS A 66 -2.339 -10.125 -7.505 1.00 0.00 C ATOM 894 SG CYS A 66 -0.661 -10.817 -7.336 1.00 0.00 S ATOM 0 H CYS A 66 -2.975 -12.368 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.902 -9.543 -5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.836 -10.606 -8.348 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.261 -9.065 -7.744 1.00 0.00 H new ATOM 899 N GLN A 67 -5.548 -10.584 -5.755 1.00 0.00 N ATOM 900 CA GLN A 67 -6.984 -10.453 -5.942 1.00 0.00 C ATOM 901 C GLN A 67 -7.604 -9.830 -4.695 1.00 0.00 C ATOM 902 O GLN A 67 -7.965 -10.524 -3.749 1.00 0.00 O ATOM 903 CB GLN A 67 -7.593 -11.834 -6.253 1.00 0.00 C ATOM 904 CG GLN A 67 -8.998 -12.067 -5.704 1.00 0.00 C ATOM 905 CD GLN A 67 -9.015 -13.055 -4.551 1.00 0.00 C ATOM 906 OE1 GLN A 67 -9.939 -13.859 -4.421 1.00 0.00 O ATOM 907 NE2 GLN A 67 -7.990 -13.001 -3.703 1.00 0.00 N ATOM 0 H GLN A 67 -5.282 -11.107 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.195 -9.797 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.617 -11.967 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.932 -12.603 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.417 -11.117 -5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.641 -12.435 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.245 -12.320 -3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.950 -13.641 -2.910 1.00 0.00 H new ATOM 916 N ALA A 68 -7.712 -8.510 -4.702 1.00 0.00 N ATOM 917 CA ALA A 68 -8.271 -7.785 -3.575 1.00 0.00 C ATOM 918 C ALA A 68 -9.787 -7.760 -3.639 1.00 0.00 C ATOM 919 O ALA A 68 -10.378 -7.126 -4.512 1.00 0.00 O ATOM 920 CB ALA A 68 -7.717 -6.374 -3.529 1.00 0.00 C ATOM 0 H ALA A 68 -7.418 -7.919 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.983 -8.304 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.145 -5.843 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.633 -6.412 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.975 -5.852 -4.450 1.00 0.00 H new ATOM 926 N THR A 69 -10.407 -8.458 -2.702 1.00 0.00 N ATOM 927 CA THR A 69 -11.861 -8.524 -2.637 1.00 0.00 C ATOM 928 C THR A 69 -12.414 -7.393 -1.774 1.00 0.00 C ATOM 929 O THR A 69 -13.570 -6.997 -1.923 1.00 0.00 O ATOM 930 CB THR A 69 -12.320 -9.886 -2.096 1.00 0.00 C ATOM 931 OG1 THR A 69 -13.504 -9.757 -1.326 1.00 0.00 O ATOM 932 CG2 THR A 69 -11.285 -10.570 -1.234 1.00 0.00 C ATOM 0 H THR A 69 -9.927 -8.988 -1.974 1.00 0.00 H new ATOM 0 HA THR A 69 -12.251 -8.407 -3.648 1.00 0.00 H new ATOM 0 HB THR A 69 -12.494 -10.497 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.776 -10.638 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.676 -11.526 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.380 -10.738 -1.817 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.052 -9.939 -0.376 1.00 0.00 H new ATOM 940 N TYR A 70 -11.583 -6.873 -0.872 1.00 0.00 N ATOM 941 CA TYR A 70 -12.004 -5.788 0.001 1.00 0.00 C ATOM 942 C TYR A 70 -10.818 -4.915 0.399 1.00 0.00 C ATOM 943 O TYR A 70 -9.735 -5.417 0.686 1.00 0.00 O ATOM 944 CB TYR A 70 -12.709 -6.353 1.245 1.00 0.00 C ATOM 945 CG TYR A 70 -11.818 -6.522 2.463 1.00 0.00 C ATOM 946 CD1 TYR A 70 -11.349 -5.418 3.165 1.00 0.00 C ATOM 947 CD2 TYR A 70 -11.459 -7.787 2.914 1.00 0.00 C ATOM 948 CE1 TYR A 70 -10.548 -5.568 4.278 1.00 0.00 C ATOM 949 CE2 TYR A 70 -10.656 -7.944 4.027 1.00 0.00 C ATOM 950 CZ TYR A 70 -10.203 -6.832 4.706 1.00 0.00 C ATOM 951 OH TYR A 70 -9.405 -6.986 5.817 1.00 0.00 O ATOM 0 H TYR A 70 -10.622 -7.185 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.709 -5.161 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.536 -5.693 1.507 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.141 -7.321 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.616 -4.426 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.813 -8.660 2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.193 -4.699 4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.384 -8.933 4.364 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.491 -6.702 5.605 1.00 0.00 H new ATOM 961 N THR A 71 -11.040 -3.606 0.428 1.00 0.00 N ATOM 962 CA THR A 71 -9.998 -2.661 0.807 1.00 0.00 C ATOM 963 C THR A 71 -10.439 -1.849 2.018 1.00 0.00 C ATOM 964 O THR A 71 -11.565 -1.353 2.069 1.00 0.00 O ATOM 965 CB THR A 71 -9.660 -1.732 -0.361 1.00 0.00 C ATOM 966 OG1 THR A 71 -9.007 -2.447 -1.395 1.00 0.00 O ATOM 967 CG2 THR A 71 -8.765 -0.574 0.031 1.00 0.00 C ATOM 0 H THR A 71 -11.934 -3.175 0.193 1.00 0.00 H new ATOM 0 HA THR A 71 -9.101 -3.223 1.068 1.00 0.00 H new ATOM 0 HB THR A 71 -10.616 -1.332 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.238 -1.930 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.565 0.044 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.260 0.027 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.825 -0.958 0.426 1.00 0.00 H new ATOM 975 N ASP A 72 -9.548 -1.722 2.991 1.00 0.00 N ATOM 976 CA ASP A 72 -9.847 -0.974 4.202 1.00 0.00 C ATOM 977 C ASP A 72 -8.939 0.242 4.331 1.00 0.00 C ATOM 978 O ASP A 72 -8.269 0.634 3.376 1.00 0.00 O ATOM 979 CB ASP A 72 -9.705 -1.875 5.433 1.00 0.00 C ATOM 980 CG ASP A 72 -10.980 -1.943 6.251 1.00 0.00 C ATOM 981 OD1 ASP A 72 -10.992 -1.404 7.377 1.00 0.00 O ATOM 982 OD2 ASP A 72 -11.965 -2.536 5.764 1.00 0.00 O ATOM 0 H ASP A 72 -8.612 -2.128 2.965 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.877 -0.624 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.427 -2.880 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.894 -1.504 6.060 1.00 0.00 H new ATOM 987 N GLY A 73 -8.926 0.839 5.518 1.00 0.00 N ATOM 988 CA GLY A 73 -8.102 2.008 5.754 1.00 0.00 C ATOM 989 C GLY A 73 -6.619 1.690 5.847 1.00 0.00 C ATOM 990 O GLY A 73 -5.820 2.562 6.186 1.00 0.00 O ATOM 0 H GLY A 73 -9.473 0.532 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.263 2.726 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.422 2.489 6.678 1.00 0.00 H new ATOM 994 N ASP A 74 -6.238 0.449 5.548 1.00 0.00 N ATOM 995 CA ASP A 74 -4.836 0.054 5.606 1.00 0.00 C ATOM 996 C ASP A 74 -4.391 -0.584 4.291 1.00 0.00 C ATOM 997 O ASP A 74 -3.322 -1.189 4.218 1.00 0.00 O ATOM 998 CB ASP A 74 -4.606 -0.913 6.767 1.00 0.00 C ATOM 999 CG ASP A 74 -4.127 -0.208 8.020 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -4.616 0.907 8.299 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -3.262 -0.771 8.724 1.00 0.00 O ATOM 0 H ASP A 74 -6.877 -0.294 5.265 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.238 0.951 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.533 -1.443 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.872 -1.663 6.472 1.00 0.00 H new ATOM 1006 N GLY A 75 -5.215 -0.444 3.254 1.00 0.00 N ATOM 1007 CA GLY A 75 -4.884 -1.012 1.962 1.00 0.00 C ATOM 1008 C GLY A 75 -5.893 -2.050 1.519 1.00 0.00 C ATOM 1009 O GLY A 75 -6.938 -2.216 2.147 1.00 0.00 O ATOM 0 H GLY A 75 -6.105 0.053 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.834 -0.216 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.894 -1.467 2.009 1.00 0.00 H new ATOM 1013 N ASP A 76 -5.582 -2.751 0.437 1.00 0.00 N ATOM 1014 CA ASP A 76 -6.472 -3.781 -0.082 1.00 0.00 C ATOM 1015 C ASP A 76 -6.400 -5.032 0.783 1.00 0.00 C ATOM 1016 O ASP A 76 -5.544 -5.143 1.661 1.00 0.00 O ATOM 1017 CB ASP A 76 -6.113 -4.119 -1.529 1.00 0.00 C ATOM 1018 CG ASP A 76 -5.807 -2.886 -2.357 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -4.716 -2.305 -2.176 1.00 0.00 O ATOM 1020 OD2 ASP A 76 -6.657 -2.502 -3.187 1.00 0.00 O ATOM 0 H ASP A 76 -4.722 -2.626 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.492 -3.398 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.249 -4.783 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.939 -4.664 -1.987 1.00 0.00 H new ATOM 1025 N TRP A 77 -7.307 -5.971 0.538 1.00 0.00 N ATOM 1026 CA TRP A 77 -7.346 -7.209 1.304 1.00 0.00 C ATOM 1027 C TRP A 77 -8.035 -8.319 0.524 1.00 0.00 C ATOM 1028 O TRP A 77 -8.927 -8.066 -0.285 1.00 0.00 O ATOM 1029 CB TRP A 77 -8.064 -6.987 2.638 1.00 0.00 C ATOM 1030 CG TRP A 77 -7.531 -5.825 3.423 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -7.916 -4.518 3.323 1.00 0.00 C ATOM 1032 CD2 TRP A 77 -6.515 -5.864 4.432 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -7.203 -3.746 4.203 1.00 0.00 N ATOM 1034 CE2 TRP A 77 -6.337 -4.547 4.894 1.00 0.00 C ATOM 1035 CE3 TRP A 77 -5.737 -6.883 4.989 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 -5.417 -4.223 5.884 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 -4.824 -6.558 5.973 1.00 0.00 C ATOM 1038 CH2 TRP A 77 -4.670 -5.237 6.411 1.00 0.00 C ATOM 0 H TRP A 77 -8.024 -5.898 -0.184 1.00 0.00 H new ATOM 0 HA TRP A 77 -6.317 -7.514 1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.126 -6.829 2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.979 -7.891 3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.673 -4.147 2.648 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -7.302 -2.738 4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.848 -7.905 4.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -5.297 -3.205 6.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.218 -7.337 6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.946 -5.016 7.181 1.00 0.00 H new ATOM 1049 N ALA A 78 -7.610 -9.551 0.775 1.00 0.00 N ATOM 1050 CA ALA A 78 -8.178 -10.706 0.101 1.00 0.00 C ATOM 1051 C ALA A 78 -8.244 -11.916 1.026 1.00 0.00 C ATOM 1052 O ALA A 78 -7.445 -12.046 1.954 1.00 0.00 O ATOM 1053 CB ALA A 78 -7.368 -11.038 -1.140 1.00 0.00 C ATOM 0 H ALA A 78 -6.872 -9.774 1.443 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.197 -10.455 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.803 -11.905 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.379 -10.186 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.340 -11.261 -0.855 1.00 0.00 H new ATOM 1059 N PHE A 79 -9.197 -12.804 0.759 1.00 0.00 N ATOM 1060 CA PHE A 79 -9.361 -14.010 1.559 1.00 0.00 C ATOM 1061 C PHE A 79 -8.536 -15.149 0.971 1.00 0.00 C ATOM 1062 O PHE A 79 -8.880 -15.700 -0.075 1.00 0.00 O ATOM 1063 CB PHE A 79 -10.836 -14.410 1.626 1.00 0.00 C ATOM 1064 CG PHE A 79 -11.139 -15.407 2.708 1.00 0.00 C ATOM 1065 CD1 PHE A 79 -10.623 -15.244 3.983 1.00 0.00 C ATOM 1066 CD2 PHE A 79 -11.940 -16.508 2.449 1.00 0.00 C ATOM 1067 CE1 PHE A 79 -10.900 -16.160 4.980 1.00 0.00 C ATOM 1068 CE2 PHE A 79 -12.221 -17.427 3.442 1.00 0.00 C ATOM 1069 CZ PHE A 79 -11.701 -17.253 4.709 1.00 0.00 C ATOM 0 H PHE A 79 -9.866 -12.710 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.009 -13.805 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.439 -13.517 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.135 -14.827 0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.997 -14.391 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.349 -16.649 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.491 -16.022 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.847 -18.281 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.920 -17.970 5.487 1.00 0.00 H new ATOM 1079 N GLU A 80 -7.442 -15.489 1.641 1.00 0.00 N ATOM 1080 CA GLU A 80 -6.564 -16.553 1.175 1.00 0.00 C ATOM 1081 C GLU A 80 -6.278 -17.559 2.278 1.00 0.00 C ATOM 1082 O GLU A 80 -6.222 -17.205 3.456 1.00 0.00 O ATOM 1083 CB GLU A 80 -5.244 -15.966 0.683 1.00 0.00 C ATOM 1084 CG GLU A 80 -4.416 -16.940 -0.132 1.00 0.00 C ATOM 1085 CD GLU A 80 -5.125 -17.397 -1.393 1.00 0.00 C ATOM 1086 OE1 GLU A 80 -5.807 -16.564 -2.025 1.00 0.00 O ATOM 1087 OE2 GLU A 80 -4.997 -18.588 -1.747 1.00 0.00 O ATOM 0 H GLU A 80 -7.142 -15.043 2.508 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.072 -17.065 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.451 -15.083 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.660 -15.635 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.470 -16.470 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.177 -17.809 0.481 1.00 0.00 H new ATOM 1094 N ASN A 81 -6.076 -18.814 1.889 1.00 0.00 N ATOM 1095 CA ASN A 81 -5.773 -19.867 2.849 1.00 0.00 C ATOM 1096 C ASN A 81 -6.756 -19.831 4.022 1.00 0.00 C ATOM 1097 O ASN A 81 -6.437 -20.242 5.137 1.00 0.00 O ATOM 1098 CB ASN A 81 -4.327 -19.695 3.329 1.00 0.00 C ATOM 1099 CG ASN A 81 -3.956 -20.604 4.483 1.00 0.00 C ATOM 1100 OD1 ASN A 81 -4.364 -21.764 4.537 1.00 0.00 O ATOM 1101 ND2 ASN A 81 -3.174 -20.069 5.410 1.00 0.00 N ATOM 0 H ASN A 81 -6.117 -19.125 0.918 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.879 -20.841 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.652 -19.887 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.175 -18.659 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.883 -20.624 6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.863 -19.102 5.319 1.00 0.00 H new ATOM 1108 N GLY A 82 -7.962 -19.335 3.754 1.00 0.00 N ATOM 1109 CA GLY A 82 -8.976 -19.250 4.785 1.00 0.00 C ATOM 1110 C GLY A 82 -8.625 -18.255 5.872 1.00 0.00 C ATOM 1111 O GLY A 82 -9.101 -18.368 7.001 1.00 0.00 O ATOM 0 H GLY A 82 -8.253 -18.991 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.926 -18.966 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.117 -20.234 5.231 1.00 0.00 H new ATOM 1115 N ASN A 83 -7.788 -17.275 5.538 1.00 0.00 N ATOM 1116 CA ASN A 83 -7.381 -16.263 6.508 1.00 0.00 C ATOM 1117 C ASN A 83 -7.442 -14.863 5.905 1.00 0.00 C ATOM 1118 O ASN A 83 -7.035 -14.650 4.763 1.00 0.00 O ATOM 1119 CB ASN A 83 -5.966 -16.548 7.018 1.00 0.00 C ATOM 1120 CG ASN A 83 -5.046 -17.056 5.927 1.00 0.00 C ATOM 1121 OD1 ASN A 83 -4.960 -18.259 5.683 1.00 0.00 O ATOM 1122 ND2 ASN A 83 -4.353 -16.140 5.261 1.00 0.00 N ATOM 0 H ASN A 83 -7.381 -17.161 4.610 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.078 -16.307 7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.548 -15.637 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.014 -17.285 7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.719 -16.424 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.455 -15.153 5.496 1.00 0.00 H new ATOM 1129 N TRP A 84 -7.948 -13.913 6.685 1.00 0.00 N ATOM 1130 CA TRP A 84 -8.058 -12.531 6.234 1.00 0.00 C ATOM 1131 C TRP A 84 -6.686 -11.869 6.192 1.00 0.00 C ATOM 1132 O TRP A 84 -6.203 -11.352 7.199 1.00 0.00 O ATOM 1133 CB TRP A 84 -8.992 -11.743 7.154 1.00 0.00 C ATOM 1134 CG TRP A 84 -10.442 -11.921 6.822 1.00 0.00 C ATOM 1135 CD1 TRP A 84 -11.446 -12.246 7.688 1.00 0.00 C ATOM 1136 CD2 TRP A 84 -11.050 -11.785 5.533 1.00 0.00 C ATOM 1137 NE1 TRP A 84 -12.642 -12.321 7.015 1.00 0.00 N ATOM 1138 CE2 TRP A 84 -12.425 -12.041 5.691 1.00 0.00 C ATOM 1139 CE3 TRP A 84 -10.565 -11.470 4.260 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 -13.319 -11.993 4.625 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 -11.454 -11.422 3.203 1.00 0.00 C ATOM 1142 CH2 TRP A 84 -12.817 -11.682 3.390 1.00 0.00 C ATOM 0 H TRP A 84 -8.288 -14.075 7.633 1.00 0.00 H new ATOM 0 HA TRP A 84 -8.474 -12.533 5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.822 -12.054 8.185 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -8.740 -10.684 7.095 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -11.319 -12.419 8.747 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -13.544 -12.548 7.433 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.515 -11.268 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -14.371 -12.194 4.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -11.091 -11.180 2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -13.486 -11.636 2.543 1.00 0.00 H new ATOM 1153 N CYS A 85 -6.062 -11.894 5.020 1.00 0.00 N ATOM 1154 CA CYS A 85 -4.741 -11.299 4.840 1.00 0.00 C ATOM 1155 C CYS A 85 -4.816 -10.065 3.948 1.00 0.00 C ATOM 1156 O CYS A 85 -5.878 -9.732 3.422 1.00 0.00 O ATOM 1157 CB CYS A 85 -3.762 -12.315 4.241 1.00 0.00 C ATOM 1158 SG CYS A 85 -4.537 -13.675 3.305 1.00 0.00 S ATOM 0 H CYS A 85 -6.450 -12.320 4.178 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.378 -10.998 5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.073 -11.787 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.167 -12.743 5.048 1.00 0.00 H new ATOM 1163 N GLY A 86 -3.681 -9.388 3.781 1.00 0.00 N ATOM 1164 CA GLY A 86 -3.647 -8.198 2.951 1.00 0.00 C ATOM 1165 C GLY A 86 -2.915 -8.424 1.641 1.00 0.00 C ATOM 1166 O GLY A 86 -1.994 -9.237 1.571 1.00 0.00 O ATOM 0 H GLY A 86 -2.789 -9.642 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.667 -7.875 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.163 -7.390 3.499 1.00 0.00 H new ATOM 1170 N ILE A 87 -3.325 -7.704 0.600 1.00 0.00 N ATOM 1171 CA ILE A 87 -2.702 -7.833 -0.712 1.00 0.00 C ATOM 1172 C ILE A 87 -1.279 -7.280 -0.697 1.00 0.00 C ATOM 1173 O ILE A 87 -1.009 -6.244 -0.090 1.00 0.00 O ATOM 1174 CB ILE A 87 -3.553 -7.131 -1.808 1.00 0.00 C ATOM 1175 CG1 ILE A 87 -4.250 -8.168 -2.698 1.00 0.00 C ATOM 1176 CG2 ILE A 87 -2.714 -6.191 -2.671 1.00 0.00 C ATOM 1177 CD1 ILE A 87 -4.871 -9.319 -1.939 1.00 0.00 C ATOM 0 H ILE A 87 -4.086 -7.026 0.641 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.652 -8.895 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.304 -6.532 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.026 -7.669 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.526 -8.565 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.349 -5.723 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.268 -5.421 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.925 -6.758 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.343 -10.006 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.098 -9.846 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.621 -8.936 -1.247 1.00 0.00 H new ATOM 1189 N LYS A 88 -0.375 -7.986 -1.366 1.00 0.00 N ATOM 1190 CA LYS A 88 1.024 -7.577 -1.432 1.00 0.00 C ATOM 1191 C LYS A 88 1.183 -6.319 -2.276 1.00 0.00 C ATOM 1192 O LYS A 88 0.466 -6.125 -3.257 1.00 0.00 O ATOM 1193 CB LYS A 88 1.891 -8.694 -2.026 1.00 0.00 C ATOM 1194 CG LYS A 88 1.455 -10.099 -1.640 1.00 0.00 C ATOM 1195 CD LYS A 88 1.422 -10.281 -0.131 1.00 0.00 C ATOM 1196 CE LYS A 88 2.615 -11.087 0.361 1.00 0.00 C ATOM 1197 NZ LYS A 88 3.881 -10.684 -0.312 1.00 0.00 N ATOM 0 H LYS A 88 -0.586 -8.846 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 88 1.353 -7.369 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.879 -8.608 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.922 -8.546 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.466 -10.300 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.138 -10.826 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.416 -9.305 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.499 -10.784 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.720 -10.957 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.433 -12.147 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.692 -11.035 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.909 -11.088 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.927 -9.647 -0.373 1.00 0.00 H new ATOM 1211 N ASN A 89 2.142 -5.476 -1.904 1.00 0.00 N ATOM 1212 CA ASN A 89 2.403 -4.254 -2.653 1.00 0.00 C ATOM 1213 C ASN A 89 2.895 -4.596 -4.061 1.00 0.00 C ATOM 1214 O ASN A 89 2.899 -3.750 -4.953 1.00 0.00 O ATOM 1215 CB ASN A 89 3.422 -3.375 -1.913 1.00 0.00 C ATOM 1216 CG ASN A 89 4.863 -3.717 -2.250 1.00 0.00 C ATOM 1217 OD1 ASN A 89 5.696 -2.830 -2.437 1.00 0.00 O ATOM 1218 ND2 ASN A 89 5.162 -5.007 -2.328 1.00 0.00 N ATOM 0 H ASN A 89 2.746 -5.616 -1.094 1.00 0.00 H new ATOM 0 HA ASN A 89 1.475 -3.690 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.236 -2.329 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.272 -3.482 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.114 -5.297 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.440 -5.709 -2.165 1.00 0.00 H new ATOM 1225 N SER A 90 3.300 -5.850 -4.248 1.00 0.00 N ATOM 1226 CA SER A 90 3.782 -6.324 -5.538 1.00 0.00 C ATOM 1227 C SER A 90 2.620 -6.820 -6.400 1.00 0.00 C ATOM 1228 O SER A 90 2.767 -7.025 -7.604 1.00 0.00 O ATOM 1229 CB SER A 90 4.792 -7.455 -5.330 1.00 0.00 C ATOM 1230 OG SER A 90 5.998 -7.204 -6.028 1.00 0.00 O ATOM 0 H SER A 90 3.303 -6.559 -3.515 1.00 0.00 H new ATOM 0 HA SER A 90 4.266 -5.494 -6.053 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.002 -7.567 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.362 -8.397 -5.671 1.00 0.00 H new ATOM 0 HG SER A 90 5.793 -6.893 -6.934 1.00 0.00 H new ATOM 1236 N CYS A 91 1.470 -7.021 -5.768 1.00 0.00 N ATOM 1237 CA CYS A 91 0.281 -7.500 -6.461 1.00 0.00 C ATOM 1238 C CYS A 91 -0.565 -6.343 -6.976 1.00 0.00 C ATOM 1239 O CYS A 91 -1.779 -6.307 -6.775 1.00 0.00 O ATOM 1240 CB CYS A 91 -0.549 -8.384 -5.532 1.00 0.00 C ATOM 1241 SG CYS A 91 -0.046 -10.136 -5.527 1.00 0.00 S ATOM 0 H CYS A 91 1.336 -6.858 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 91 0.607 -8.087 -7.320 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -0.478 -7.994 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -1.597 -8.319 -5.826 1.00 0.00 H new ATOM 1246 N LYS A 92 0.084 -5.402 -7.643 1.00 0.00 N ATOM 1247 CA LYS A 92 -0.602 -4.243 -8.190 1.00 0.00 C ATOM 1248 C LYS A 92 -0.408 -4.170 -9.698 1.00 0.00 C ATOM 1249 O LYS A 92 -1.365 -4.259 -10.467 1.00 0.00 O ATOM 1250 CB LYS A 92 -0.072 -2.969 -7.537 1.00 0.00 C ATOM 1251 CG LYS A 92 0.061 -3.070 -6.026 1.00 0.00 C ATOM 1252 CD LYS A 92 0.947 -1.964 -5.475 1.00 0.00 C ATOM 1253 CE LYS A 92 0.372 -0.594 -5.779 1.00 0.00 C ATOM 1254 NZ LYS A 92 0.761 0.414 -4.755 1.00 0.00 N ATOM 0 H LYS A 92 1.089 -5.419 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.667 -4.339 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.902 -2.730 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.739 -2.142 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.926 -3.011 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.479 -4.041 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.055 -2.084 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.945 -2.046 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.716 -0.266 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.715 -0.660 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.000 1.115 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.921 -0.061 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.634 0.893 -5.054 1.00 0.00 H new ATOM 1268 N GLN A 93 0.841 -4.012 -10.106 1.00 0.00 N ATOM 1269 CA GLN A 93 1.184 -3.928 -11.518 1.00 0.00 C ATOM 1270 C GLN A 93 2.662 -4.238 -11.730 1.00 0.00 C ATOM 1271 O GLN A 93 3.517 -3.773 -10.978 1.00 0.00 O ATOM 1272 CB GLN A 93 0.853 -2.539 -12.063 1.00 0.00 C ATOM 1273 CG GLN A 93 1.677 -1.425 -11.436 1.00 0.00 C ATOM 1274 CD GLN A 93 0.818 -0.323 -10.847 1.00 0.00 C ATOM 1275 OE1 GLN A 93 0.486 -0.346 -9.661 1.00 0.00 O ATOM 1276 NE2 GLN A 93 0.455 0.649 -11.674 1.00 0.00 N ATOM 0 H GLN A 93 1.639 -3.939 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 93 0.594 -4.667 -12.060 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.012 -2.534 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.205 -2.335 -11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.311 -1.843 -10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.340 -1.000 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.753 0.627 -12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.122 1.418 -11.335 1.00 0.00 H new ATOM 1285 N GLN A 94 2.956 -5.025 -12.759 1.00 0.00 N ATOM 1286 CA GLN A 94 4.326 -5.397 -13.068 1.00 0.00 C ATOM 1287 C GLN A 94 5.174 -4.163 -13.382 1.00 0.00 C ATOM 1288 O GLN A 94 6.250 -3.980 -12.813 1.00 0.00 O ATOM 1289 CB GLN A 94 4.343 -6.403 -14.230 1.00 0.00 C ATOM 1290 CG GLN A 94 5.357 -6.098 -15.322 1.00 0.00 C ATOM 1291 CD GLN A 94 6.790 -6.215 -14.839 1.00 0.00 C ATOM 1292 OE1 GLN A 94 7.255 -7.302 -14.498 1.00 0.00 O ATOM 1293 NE2 GLN A 94 7.498 -5.091 -14.809 1.00 0.00 N ATOM 0 H GLN A 94 2.260 -5.417 -13.393 1.00 0.00 H new ATOM 0 HA GLN A 94 4.767 -5.874 -12.193 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.548 -7.396 -13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.349 -6.439 -14.676 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.202 -6.781 -16.157 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.186 -5.090 -15.699 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.072 -4.212 -15.101 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.468 -5.108 -14.494 1.00 0.00 H new ATOM 1302 N PRO A 95 4.702 -3.301 -14.297 1.00 0.00 N ATOM 1303 CA PRO A 95 5.428 -2.085 -14.686 1.00 0.00 C ATOM 1304 C PRO A 95 5.589 -1.087 -13.541 1.00 0.00 C ATOM 1305 O PRO A 95 6.438 -0.198 -13.609 1.00 0.00 O ATOM 1306 CB PRO A 95 4.548 -1.485 -15.787 1.00 0.00 C ATOM 1307 CG PRO A 95 3.196 -2.050 -15.529 1.00 0.00 C ATOM 1308 CD PRO A 95 3.433 -3.439 -15.034 1.00 0.00 C ATOM 0 HA PRO A 95 6.447 -2.315 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.539 -0.396 -15.739 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.910 -1.758 -16.778 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.657 -1.457 -14.790 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.592 -2.054 -16.437 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.624 -3.784 -14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.515 -4.154 -15.853 1.00 0.00 H new ATOM 1316 N GLN A 96 4.768 -1.230 -12.495 1.00 0.00 N ATOM 1317 CA GLN A 96 4.815 -0.331 -11.337 1.00 0.00 C ATOM 1318 C GLN A 96 5.111 1.113 -11.763 1.00 0.00 C ATOM 1319 O GLN A 96 4.810 1.507 -12.889 1.00 0.00 O ATOM 1320 CB GLN A 96 5.852 -0.829 -10.321 1.00 0.00 C ATOM 1321 CG GLN A 96 7.289 -0.444 -10.651 1.00 0.00 C ATOM 1322 CD GLN A 96 8.226 -1.637 -10.658 1.00 0.00 C ATOM 1323 OE1 GLN A 96 9.101 -1.759 -9.801 1.00 0.00 O ATOM 1324 NE2 GLN A 96 8.047 -2.524 -11.630 1.00 0.00 N ATOM 0 H GLN A 96 4.061 -1.962 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 96 3.834 -0.335 -10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.599 -0.433 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.785 -1.915 -10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.316 0.040 -11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.642 0.286 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.309 -2.383 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.648 -3.346 -11.687 1.00 0.00 H new ATOM 1333 N ASN A 97 5.701 1.898 -10.863 1.00 0.00 N ATOM 1334 CA ASN A 97 6.032 3.287 -11.165 1.00 0.00 C ATOM 1335 C ASN A 97 6.926 3.375 -12.398 1.00 0.00 C ATOM 1336 O ASN A 97 6.492 3.816 -13.462 1.00 0.00 O ATOM 1337 CB ASN A 97 6.728 3.938 -9.966 1.00 0.00 C ATOM 1338 CG ASN A 97 7.152 5.368 -10.247 1.00 0.00 C ATOM 1339 OD1 ASN A 97 6.477 6.097 -10.975 1.00 0.00 O ATOM 1340 ND2 ASN A 97 8.277 5.776 -9.670 1.00 0.00 N ATOM 0 H ASN A 97 5.958 1.596 -9.923 1.00 0.00 H new ATOM 0 HA ASN A 97 5.105 3.821 -11.372 1.00 0.00 H new ATOM 0 HB2 ASN A 97 6.056 3.924 -9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.604 3.349 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 97 8.613 6.727 -9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 97 8.805 5.138 -9.074 1.00 0.00 H new ATOM 1347 N ASN A 98 8.176 2.949 -12.248 1.00 0.00 N ATOM 1348 CA ASN A 98 9.132 2.978 -13.348 1.00 0.00 C ATOM 1349 C ASN A 98 9.138 1.650 -14.099 1.00 0.00 C ATOM 1350 O ASN A 98 8.789 0.610 -13.541 1.00 0.00 O ATOM 1351 CB ASN A 98 10.537 3.285 -12.824 1.00 0.00 C ATOM 1352 CG ASN A 98 10.811 4.773 -12.743 1.00 0.00 C ATOM 1353 OD1 ASN A 98 11.022 5.434 -13.761 1.00 0.00 O ATOM 1354 ND2 ASN A 98 10.812 5.311 -11.529 1.00 0.00 N ATOM 0 H ASN A 98 8.550 2.579 -11.374 1.00 0.00 H new ATOM 0 HA ASN A 98 8.828 3.765 -14.038 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.658 2.842 -11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.275 2.817 -13.476 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.992 6.308 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.632 4.727 -10.712 1.00 0.00 H new ATOM 1361 N ASN A 99 9.535 1.695 -15.366 1.00 0.00 N ATOM 1362 CA ASN A 99 9.585 0.494 -16.194 1.00 0.00 C ATOM 1363 C ASN A 99 10.888 -0.267 -15.970 1.00 0.00 C ATOM 1364 O ASN A 99 11.948 0.145 -16.443 1.00 0.00 O ATOM 1365 CB ASN A 99 9.443 0.862 -17.671 1.00 0.00 C ATOM 1366 CG ASN A 99 8.286 1.809 -17.923 1.00 0.00 C ATOM 1367 OD1 ASN A 99 8.398 2.750 -18.710 1.00 0.00 O ATOM 1368 ND2 ASN A 99 7.164 1.565 -17.255 1.00 0.00 N ATOM 0 H ASN A 99 9.827 2.549 -15.842 1.00 0.00 H new ATOM 0 HA ASN A 99 8.755 -0.151 -15.906 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.368 1.323 -18.018 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.300 -0.046 -18.257 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.352 2.168 -17.384 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.115 0.774 -16.613 1.00 0.00 H new ATOM 1375 N GLN A 100 10.802 -1.379 -15.248 1.00 0.00 N ATOM 1376 CA GLN A 100 11.974 -2.196 -14.961 1.00 0.00 C ATOM 1377 C GLN A 100 12.133 -3.301 -16.001 1.00 0.00 C ATOM 1378 O GLN A 100 13.282 -3.555 -16.423 1.00 0.00 O ATOM 1379 CB GLN A 100 11.866 -2.809 -13.564 1.00 0.00 C ATOM 1380 CG GLN A 100 13.211 -3.150 -12.943 1.00 0.00 C ATOM 1381 CD GLN A 100 13.108 -3.457 -11.462 1.00 0.00 C ATOM 1382 OE1 GLN A 100 13.449 -4.553 -11.018 1.00 0.00 O ATOM 1383 NE2 GLN A 100 12.637 -2.487 -10.688 1.00 0.00 N ATOM 1384 OXT GLN A 100 11.109 -3.902 -16.386 1.00 0.00 O ATOM 0 H GLN A 100 9.932 -1.735 -14.851 1.00 0.00 H new ATOM 0 HA GLN A 100 12.853 -1.552 -15.001 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.340 -2.113 -12.911 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.261 -3.714 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.638 -4.009 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.897 -2.316 -13.091 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.366 -1.593 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.546 -2.635 -9.683 1.00 0.00 H new TER 1393 GLN A 100