USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 519 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 54 HIS : no HD1:sc= -1.45 K(o=-0.76,f=-0.14) USER MOD Set 1.2: A 55 THR OG1 : rot 125:sc= 0.687 USER MOD Set 2.1: A 1 SER N :NH3+ -126:sc= -0.0656 (180deg=-3.03!) USER MOD Set 2.2: A 1 SER OG : rot -173:sc= 2.02 USER MOD Set 2.3: A 37 THR OG1 : rot 180:sc= 0.205 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 162:sc= -3! (180deg=-3.37!) USER MOD Set 3.2: A 24 SER OG : rot 120:sc= 0.674 USER MOD Set 4.1: A 18 TYR OH : rot 18:sc= 0.117 USER MOD Set 4.2: A 28 GLN : amide:sc= -2.51! C(o=-2.4!,f=-3!) USER MOD Set 5.1: A 7 SER OG : rot -11:sc= 1.09 USER MOD Set 5.2: A 13 ASN : amide:sc= -9.83! C(o=-8.7!,f=-17!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.76! K(o=-2.8!,f=-1.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.0853 (180deg=-0.5) USER MOD Single : A 32 TYR OH : rot -173:sc= 0.543 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.34) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 37:sc= 0.00791 USER MOD Single : A 45 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= -4.62! C(o=-4.6!,f=-3.9!) USER MOD Single : A 50 SER OG : rot 92:sc= 0.196 USER MOD Single : A 59 SER OG : rot 22:sc= 0.221 USER MOD Single : A 60 SER OG : rot 37:sc= 0.722 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.535) USER MOD Single : A 71 SER OG : rot -133:sc= 0.109 USER MOD Single : A 75 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.322 -5.953 1.400 1.00 0.00 N ATOM 2 CA SER A 1 -9.339 -5.119 0.653 1.00 0.00 C ATOM 3 C SER A 1 -7.912 -5.419 1.118 1.00 0.00 C ATOM 4 O SER A 1 -7.705 -5.915 2.209 1.00 0.00 O ATOM 5 CB SER A 1 -9.627 -3.627 0.881 1.00 0.00 C ATOM 6 OG SER A 1 -10.897 -3.438 0.279 1.00 0.00 O ATOM 0 H1 SER A 1 -10.921 -6.471 0.726 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.814 -6.631 2.004 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.918 -5.340 1.992 1.00 0.00 H new ATOM 0 HA SER A 1 -9.434 -5.358 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.645 -3.380 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.867 -2.997 0.420 1.00 0.00 H new ATOM 0 HG SER A 1 -11.120 -2.484 0.278 1.00 0.00 H new ATOM 11 N ALA A 2 -6.968 -5.102 0.265 1.00 0.00 N ATOM 12 CA ALA A 2 -5.529 -5.342 0.593 1.00 0.00 C ATOM 13 C ALA A 2 -4.608 -4.466 -0.260 1.00 0.00 C ATOM 14 O ALA A 2 -5.058 -3.776 -1.153 1.00 0.00 O ATOM 15 CB ALA A 2 -5.203 -6.812 0.344 1.00 0.00 C ATOM 0 H ALA A 2 -7.135 -4.684 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.365 -5.085 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.155 -6.997 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.834 -7.437 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.387 -7.053 -0.703 1.00 0.00 H new ATOM 21 N PHE A 3 -3.338 -4.535 0.054 1.00 0.00 N ATOM 22 CA PHE A 3 -2.306 -3.742 -0.678 1.00 0.00 C ATOM 23 C PHE A 3 -1.084 -4.640 -0.924 1.00 0.00 C ATOM 24 O PHE A 3 -0.247 -4.800 -0.056 1.00 0.00 O ATOM 25 CB PHE A 3 -1.956 -2.516 0.198 1.00 0.00 C ATOM 26 CG PHE A 3 -0.969 -1.560 -0.499 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.333 -0.913 -1.666 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.288 -1.318 0.033 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.466 -0.043 -2.288 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.155 -0.446 -0.590 1.00 0.00 C ATOM 31 CZ PHE A 3 0.778 0.191 -1.750 1.00 0.00 C ATOM 0 H PHE A 3 -2.967 -5.120 0.803 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.663 -3.393 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.870 -1.975 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.525 -2.856 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.308 -1.092 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.590 -1.816 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.763 0.456 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.132 -0.262 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.458 0.874 -2.237 1.00 0.00 H new ATOM 41 N THR A 4 -1.014 -5.205 -2.105 1.00 0.00 N ATOM 42 CA THR A 4 0.136 -6.097 -2.445 1.00 0.00 C ATOM 43 C THR A 4 1.324 -5.180 -2.747 1.00 0.00 C ATOM 44 O THR A 4 1.137 -4.068 -3.199 1.00 0.00 O ATOM 45 CB THR A 4 -0.230 -6.946 -3.670 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.464 -7.561 -3.323 1.00 0.00 O ATOM 47 CG2 THR A 4 0.733 -8.137 -3.830 1.00 0.00 C ATOM 0 H THR A 4 -1.704 -5.086 -2.847 1.00 0.00 H new ATOM 0 HA THR A 4 0.382 -6.778 -1.631 1.00 0.00 H new ATOM 0 HB THR A 4 -0.226 -6.324 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.768 -8.125 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.448 -8.720 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.751 -7.768 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.682 -8.768 -2.942 1.00 0.00 H new ATOM 55 N VAL A 5 2.510 -5.666 -2.487 1.00 0.00 N ATOM 56 CA VAL A 5 3.745 -4.857 -2.736 1.00 0.00 C ATOM 57 C VAL A 5 4.921 -5.776 -3.115 1.00 0.00 C ATOM 58 O VAL A 5 4.938 -6.934 -2.744 1.00 0.00 O ATOM 59 CB VAL A 5 4.081 -4.063 -1.439 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.878 -3.199 -0.988 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.420 -5.040 -0.295 1.00 0.00 C ATOM 0 H VAL A 5 2.679 -6.598 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 5 3.575 -4.168 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 5 4.932 -3.419 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.140 -2.655 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.624 -2.489 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.021 -3.843 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.654 -4.476 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.565 -5.690 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.281 -5.646 -0.577 1.00 0.00 H new ATOM 71 N TRP A 6 5.864 -5.233 -3.847 1.00 0.00 N ATOM 72 CA TRP A 6 7.056 -6.000 -4.277 1.00 0.00 C ATOM 73 C TRP A 6 8.293 -5.115 -4.065 1.00 0.00 C ATOM 74 O TRP A 6 8.247 -3.917 -4.270 1.00 0.00 O ATOM 75 CB TRP A 6 6.910 -6.371 -5.748 1.00 0.00 C ATOM 76 CG TRP A 6 5.713 -7.288 -6.036 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.789 -8.645 -6.145 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.418 -6.918 -6.245 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.564 -9.024 -6.411 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.666 -8.066 -6.493 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.796 -5.673 -6.257 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.300 -7.963 -6.749 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.434 -5.575 -6.514 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.688 -6.720 -6.760 1.00 0.00 C ATOM 0 H TRP A 6 5.848 -4.265 -4.168 1.00 0.00 H new ATOM 0 HA TRP A 6 7.159 -6.918 -3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.807 -5.459 -6.335 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.823 -6.864 -6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.664 -9.268 -6.036 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.320 -10.005 -6.547 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.374 -4.781 -6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.718 -8.853 -6.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.955 -4.607 -6.522 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.630 -6.642 -6.960 1.00 0.00 H new ATOM 95 N SER A 7 9.364 -5.752 -3.658 1.00 0.00 N ATOM 96 CA SER A 7 10.653 -5.023 -3.398 1.00 0.00 C ATOM 97 C SER A 7 11.329 -4.401 -4.639 1.00 0.00 C ATOM 98 O SER A 7 12.383 -3.806 -4.518 1.00 0.00 O ATOM 99 CB SER A 7 11.630 -6.009 -2.702 1.00 0.00 C ATOM 100 OG SER A 7 11.852 -7.064 -3.627 1.00 0.00 O ATOM 0 H SER A 7 9.404 -6.758 -3.492 1.00 0.00 H new ATOM 0 HA SER A 7 10.403 -4.169 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.566 -5.513 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.204 -6.389 -1.773 1.00 0.00 H new ATOM 0 HG SER A 7 11.210 -6.993 -4.364 1.00 0.00 H new ATOM 106 N GLY A 8 10.712 -4.552 -5.783 1.00 0.00 N ATOM 107 CA GLY A 8 11.264 -3.990 -7.054 1.00 0.00 C ATOM 108 C GLY A 8 11.902 -5.052 -7.963 1.00 0.00 C ATOM 109 O GLY A 8 12.337 -6.078 -7.479 1.00 0.00 O ATOM 0 H GLY A 8 9.830 -5.052 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.464 -3.489 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.010 -3.232 -6.814 1.00 0.00 H new ATOM 113 N PRO A 9 11.958 -4.786 -9.253 1.00 0.00 N ATOM 114 CA PRO A 9 11.818 -3.427 -9.871 1.00 0.00 C ATOM 115 C PRO A 9 10.376 -2.901 -9.835 1.00 0.00 C ATOM 116 O PRO A 9 10.124 -1.822 -9.333 1.00 0.00 O ATOM 117 CB PRO A 9 12.345 -3.576 -11.299 1.00 0.00 C ATOM 118 CG PRO A 9 12.416 -5.088 -11.597 1.00 0.00 C ATOM 119 CD PRO A 9 12.173 -5.848 -10.279 1.00 0.00 C ATOM 0 HA PRO A 9 12.383 -2.682 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.687 -3.074 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.329 -3.117 -11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.668 -5.365 -12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.389 -5.349 -12.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.306 -6.503 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.026 -6.477 -10.023 1.00 0.00 H new ATOM 127 N GLY A 10 9.482 -3.690 -10.371 1.00 0.00 N ATOM 128 CA GLY A 10 8.042 -3.317 -10.409 1.00 0.00 C ATOM 129 C GLY A 10 7.249 -4.198 -9.443 1.00 0.00 C ATOM 130 O GLY A 10 7.600 -4.331 -8.286 1.00 0.00 O ATOM 0 H GLY A 10 9.696 -4.594 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.922 -2.268 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.654 -3.432 -11.421 1.00 0.00 H new ATOM 134 N CYS A 11 6.204 -4.768 -9.981 1.00 0.00 N ATOM 135 CA CYS A 11 5.277 -5.670 -9.229 1.00 0.00 C ATOM 136 C CYS A 11 5.471 -7.113 -9.707 1.00 0.00 C ATOM 137 O CYS A 11 4.599 -7.671 -10.349 1.00 0.00 O ATOM 138 CB CYS A 11 3.871 -5.197 -9.514 1.00 0.00 C ATOM 139 SG CYS A 11 3.549 -4.995 -11.284 1.00 0.00 S ATOM 0 H CYS A 11 5.943 -4.639 -10.958 1.00 0.00 H new ATOM 0 HA CYS A 11 5.474 -5.643 -8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.160 -5.911 -9.099 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.702 -4.247 -9.007 1.00 0.00 H new ATOM 144 N ASN A 12 6.601 -7.692 -9.389 1.00 0.00 N ATOM 145 CA ASN A 12 6.853 -9.101 -9.837 1.00 0.00 C ATOM 146 C ASN A 12 7.618 -9.909 -8.791 1.00 0.00 C ATOM 147 O ASN A 12 7.179 -10.957 -8.361 1.00 0.00 O ATOM 148 CB ASN A 12 7.654 -9.040 -11.158 1.00 0.00 C ATOM 149 CG ASN A 12 6.896 -8.187 -12.189 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.247 -8.692 -13.084 1.00 0.00 O ATOM 151 ND2 ASN A 12 6.955 -6.884 -12.088 1.00 0.00 N ATOM 0 H ASN A 12 7.351 -7.261 -8.848 1.00 0.00 H new ATOM 0 HA ASN A 12 5.898 -9.606 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.641 -8.615 -10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.807 -10.046 -11.548 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.458 -6.297 -12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.498 -6.455 -11.339 1.00 0.00 H new ATOM 158 N ASN A 13 8.747 -9.356 -8.443 1.00 0.00 N ATOM 159 CA ASN A 13 9.708 -9.916 -7.445 1.00 0.00 C ATOM 160 C ASN A 13 9.116 -10.417 -6.093 1.00 0.00 C ATOM 161 O ASN A 13 8.312 -11.329 -6.088 1.00 0.00 O ATOM 162 CB ASN A 13 10.756 -8.799 -7.264 1.00 0.00 C ATOM 163 CG ASN A 13 10.074 -7.513 -6.775 1.00 0.00 C ATOM 164 OD1 ASN A 13 10.231 -7.147 -5.633 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.315 -6.796 -7.567 1.00 0.00 N ATOM 0 H ASN A 13 9.064 -8.472 -8.842 1.00 0.00 H new ATOM 0 HA ASN A 13 10.121 -10.850 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.514 -9.113 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.268 -8.613 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.870 -5.948 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.169 -7.086 -8.534 1.00 0.00 H new ATOM 172 N ARG A 14 9.518 -9.835 -4.984 1.00 0.00 N ATOM 173 CA ARG A 14 8.994 -10.266 -3.646 1.00 0.00 C ATOM 174 C ARG A 14 7.482 -10.040 -3.528 1.00 0.00 C ATOM 175 O ARG A 14 7.025 -8.943 -3.288 1.00 0.00 O ATOM 176 CB ARG A 14 9.753 -9.470 -2.553 1.00 0.00 C ATOM 177 CG ARG A 14 9.171 -9.683 -1.117 1.00 0.00 C ATOM 178 CD ARG A 14 9.164 -11.166 -0.681 1.00 0.00 C ATOM 179 NE ARG A 14 8.012 -11.858 -1.344 1.00 0.00 N ATOM 180 CZ ARG A 14 8.062 -13.111 -1.724 1.00 0.00 C ATOM 181 NH1 ARG A 14 9.132 -13.836 -1.538 1.00 0.00 N ATOM 182 NH2 ARG A 14 7.002 -13.609 -2.295 1.00 0.00 N ATOM 0 H ARG A 14 10.194 -9.072 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 14 9.160 -11.336 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.802 -9.766 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.720 -8.408 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.757 -9.103 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.153 -9.295 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.103 -11.645 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.076 -11.240 0.403 1.00 0.00 H new ATOM 0 HE ARG A 14 7.153 -11.332 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.952 -13.429 -1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.148 -14.809 -1.842 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.175 -13.027 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.999 -14.580 -2.606 1.00 0.00 H new ATOM 196 N ALA A 15 6.742 -11.099 -3.697 1.00 0.00 N ATOM 197 CA ALA A 15 5.257 -11.004 -3.606 1.00 0.00 C ATOM 198 C ALA A 15 4.799 -10.958 -2.136 1.00 0.00 C ATOM 199 O ALA A 15 4.436 -11.954 -1.542 1.00 0.00 O ATOM 200 CB ALA A 15 4.680 -12.216 -4.343 1.00 0.00 C ATOM 0 H ALA A 15 7.103 -12.032 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 15 4.898 -10.083 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.591 -12.184 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.002 -12.196 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.035 -13.132 -3.871 1.00 0.00 H new ATOM 206 N GLU A 16 4.850 -9.759 -1.612 1.00 0.00 N ATOM 207 CA GLU A 16 4.452 -9.465 -0.198 1.00 0.00 C ATOM 208 C GLU A 16 3.042 -8.843 -0.229 1.00 0.00 C ATOM 209 O GLU A 16 2.612 -8.379 -1.267 1.00 0.00 O ATOM 210 CB GLU A 16 5.512 -8.496 0.381 1.00 0.00 C ATOM 211 CG GLU A 16 5.139 -7.969 1.793 1.00 0.00 C ATOM 212 CD GLU A 16 4.964 -9.114 2.811 1.00 0.00 C ATOM 213 OE1 GLU A 16 5.866 -9.932 2.887 1.00 0.00 O ATOM 214 OE2 GLU A 16 3.930 -9.105 3.460 1.00 0.00 O ATOM 0 H GLU A 16 5.164 -8.937 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 16 4.414 -10.354 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.474 -9.005 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.634 -7.651 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.916 -7.289 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.215 -7.394 1.733 1.00 0.00 H new ATOM 221 N ARG A 17 2.362 -8.849 0.894 1.00 0.00 N ATOM 222 CA ARG A 17 0.981 -8.266 0.947 1.00 0.00 C ATOM 223 C ARG A 17 0.706 -7.519 2.263 1.00 0.00 C ATOM 224 O ARG A 17 1.297 -7.805 3.287 1.00 0.00 O ATOM 225 CB ARG A 17 -0.016 -9.429 0.756 1.00 0.00 C ATOM 226 CG ARG A 17 -1.460 -8.910 0.564 1.00 0.00 C ATOM 227 CD ARG A 17 -2.373 -10.123 0.316 1.00 0.00 C ATOM 228 NE ARG A 17 -3.758 -9.633 0.042 1.00 0.00 N ATOM 229 CZ ARG A 17 -4.776 -10.458 -0.007 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.602 -11.738 0.186 1.00 0.00 N ATOM 231 NH2 ARG A 17 -5.959 -9.964 -0.251 1.00 0.00 N ATOM 0 H ARG A 17 2.703 -9.232 1.776 1.00 0.00 H new ATOM 0 HA ARG A 17 0.872 -7.522 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.277 -10.022 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.023 -10.089 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.788 -8.361 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.508 -8.219 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.005 -10.707 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.370 -10.782 1.184 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.915 -8.637 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.669 -12.103 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.399 -12.373 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.073 -8.961 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.770 -10.581 -0.295 1.00 0.00 H new ATOM 245 N TYR A 18 -0.198 -6.575 2.162 1.00 0.00 N ATOM 246 CA TYR A 18 -0.619 -5.725 3.321 1.00 0.00 C ATOM 247 C TYR A 18 -2.154 -5.584 3.349 1.00 0.00 C ATOM 248 O TYR A 18 -2.713 -4.616 2.868 1.00 0.00 O ATOM 249 CB TYR A 18 0.040 -4.323 3.195 1.00 0.00 C ATOM 250 CG TYR A 18 1.523 -4.371 3.598 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.494 -4.874 2.755 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.901 -3.894 4.838 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.816 -4.898 3.151 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.223 -3.918 5.232 1.00 0.00 C ATOM 255 CZ TYR A 18 4.190 -4.421 4.389 1.00 0.00 C ATOM 256 OH TYR A 18 5.514 -4.444 4.776 1.00 0.00 O ATOM 0 H TYR A 18 -0.679 -6.351 1.291 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.297 -6.197 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.050 -3.966 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.489 -3.611 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.218 -5.250 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.152 -3.497 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.566 -5.295 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.501 -3.541 6.205 1.00 0.00 H new ATOM 0 HH TYR A 18 6.084 -4.554 3.986 1.00 0.00 H new ATOM 266 N SER A 19 -2.779 -6.582 3.922 1.00 0.00 N ATOM 267 CA SER A 19 -4.274 -6.624 4.049 1.00 0.00 C ATOM 268 C SER A 19 -4.686 -6.409 5.519 1.00 0.00 C ATOM 269 O SER A 19 -5.843 -6.192 5.823 1.00 0.00 O ATOM 270 CB SER A 19 -4.770 -7.995 3.550 1.00 0.00 C ATOM 271 OG SER A 19 -4.155 -8.944 4.411 1.00 0.00 O ATOM 0 H SER A 19 -2.304 -7.393 4.319 1.00 0.00 H new ATOM 0 HA SER A 19 -4.721 -5.830 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.857 -8.063 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.487 -8.163 2.511 1.00 0.00 H new ATOM 0 HG SER A 19 -4.430 -9.848 4.151 1.00 0.00 H new ATOM 277 N LYS A 20 -3.695 -6.485 6.371 1.00 0.00 N ATOM 278 CA LYS A 20 -3.861 -6.312 7.846 1.00 0.00 C ATOM 279 C LYS A 20 -4.582 -5.009 8.257 1.00 0.00 C ATOM 280 O LYS A 20 -4.413 -3.968 7.650 1.00 0.00 O ATOM 281 CB LYS A 20 -2.425 -6.418 8.427 1.00 0.00 C ATOM 282 CG LYS A 20 -2.359 -6.167 9.957 1.00 0.00 C ATOM 283 CD LYS A 20 -2.091 -4.674 10.301 1.00 0.00 C ATOM 284 CE LYS A 20 -0.596 -4.301 10.136 1.00 0.00 C ATOM 285 NZ LYS A 20 -0.151 -4.399 8.718 1.00 0.00 N ATOM 0 H LYS A 20 -2.732 -6.669 6.088 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.523 -7.079 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.026 -7.409 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.782 -5.698 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.297 -6.480 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.572 -6.784 10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.697 -4.038 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.403 -4.476 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.433 -3.286 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.013 -4.961 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.733 -3.866 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.009 -5.397 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.884 -4.003 8.096 1.00 0.00 H new ATOM 299 N CYS A 21 -5.369 -5.151 9.296 1.00 0.00 N ATOM 300 CA CYS A 21 -6.178 -4.033 9.888 1.00 0.00 C ATOM 301 C CYS A 21 -5.336 -2.849 10.371 1.00 0.00 C ATOM 302 O CYS A 21 -4.412 -3.028 11.140 1.00 0.00 O ATOM 303 CB CYS A 21 -6.983 -4.592 11.072 1.00 0.00 C ATOM 304 SG CYS A 21 -7.418 -3.473 12.428 1.00 0.00 S ATOM 0 H CYS A 21 -5.490 -6.040 9.782 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.824 -3.650 9.098 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.909 -5.008 10.676 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.417 -5.421 11.496 1.00 0.00 H new ATOM 309 N GLY A 22 -5.683 -1.676 9.907 1.00 0.00 N ATOM 310 CA GLY A 22 -4.932 -0.457 10.318 1.00 0.00 C ATOM 311 C GLY A 22 -3.788 -0.221 9.342 1.00 0.00 C ATOM 312 O GLY A 22 -3.809 -0.740 8.241 1.00 0.00 O ATOM 0 H GLY A 22 -6.455 -1.512 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.597 0.407 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.544 -0.578 11.329 1.00 0.00 H new ATOM 316 N CYS A 23 -2.825 0.551 9.778 1.00 0.00 N ATOM 317 CA CYS A 23 -1.657 0.851 8.900 1.00 0.00 C ATOM 318 C CYS A 23 -0.330 0.283 9.400 1.00 0.00 C ATOM 319 O CYS A 23 -0.181 -0.071 10.554 1.00 0.00 O ATOM 320 CB CYS A 23 -1.508 2.358 8.764 1.00 0.00 C ATOM 321 SG CYS A 23 -0.964 3.268 10.226 1.00 0.00 S ATOM 0 H CYS A 23 -2.798 0.985 10.701 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.869 0.368 7.946 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.800 2.556 7.960 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.469 2.766 8.450 1.00 0.00 H new ATOM 326 N SER A 24 0.590 0.228 8.470 1.00 0.00 N ATOM 327 CA SER A 24 1.966 -0.291 8.740 1.00 0.00 C ATOM 328 C SER A 24 2.922 0.208 7.646 1.00 0.00 C ATOM 329 O SER A 24 2.490 0.564 6.566 1.00 0.00 O ATOM 330 CB SER A 24 1.931 -1.829 8.753 1.00 0.00 C ATOM 331 OG SER A 24 1.394 -2.184 7.487 1.00 0.00 O ATOM 0 H SER A 24 0.440 0.530 7.507 1.00 0.00 H new ATOM 0 HA SER A 24 2.317 0.068 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.928 -2.247 8.893 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.311 -2.205 9.567 1.00 0.00 H new ATOM 0 HG SER A 24 2.043 -2.732 6.999 1.00 0.00 H new ATOM 337 N ALA A 25 4.194 0.215 7.958 1.00 0.00 N ATOM 338 CA ALA A 25 5.219 0.681 6.971 1.00 0.00 C ATOM 339 C ALA A 25 5.525 -0.424 5.949 1.00 0.00 C ATOM 340 O ALA A 25 5.414 -1.596 6.256 1.00 0.00 O ATOM 341 CB ALA A 25 6.493 1.062 7.730 1.00 0.00 C ATOM 0 H ALA A 25 4.569 -0.083 8.858 1.00 0.00 H new ATOM 0 HA ALA A 25 4.835 1.546 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.249 1.404 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.270 1.861 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.868 0.193 8.271 1.00 0.00 H new ATOM 347 N ILE A 26 5.904 -0.003 4.766 1.00 0.00 N ATOM 348 CA ILE A 26 6.232 -0.970 3.669 1.00 0.00 C ATOM 349 C ILE A 26 7.673 -0.745 3.210 1.00 0.00 C ATOM 350 O ILE A 26 8.078 0.374 2.955 1.00 0.00 O ATOM 351 CB ILE A 26 5.271 -0.761 2.459 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.800 -0.627 2.931 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.395 -1.938 1.490 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.512 0.853 3.097 1.00 0.00 C ATOM 0 H ILE A 26 6.001 0.980 4.511 1.00 0.00 H new ATOM 0 HA ILE A 26 6.114 -1.986 4.046 1.00 0.00 H new ATOM 0 HB ILE A 26 5.555 0.162 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.121 -1.071 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.649 -1.156 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.722 -1.787 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.421 -2.005 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.131 -2.862 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.483 0.988 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.191 1.275 3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.655 1.361 2.143 1.00 0.00 H new ATOM 366 N HIS A 27 8.395 -1.832 3.121 1.00 0.00 N ATOM 367 CA HIS A 27 9.827 -1.792 2.685 1.00 0.00 C ATOM 368 C HIS A 27 9.919 -2.221 1.210 1.00 0.00 C ATOM 369 O HIS A 27 10.969 -2.153 0.600 1.00 0.00 O ATOM 370 CB HIS A 27 10.630 -2.743 3.598 1.00 0.00 C ATOM 371 CG HIS A 27 10.448 -2.308 5.061 1.00 0.00 C ATOM 372 ND1 HIS A 27 9.309 -2.177 5.660 1.00 0.00 N ATOM 373 CD2 HIS A 27 11.381 -1.972 6.029 1.00 0.00 C ATOM 374 CE1 HIS A 27 9.498 -1.797 6.883 1.00 0.00 C ATOM 375 NE2 HIS A 27 10.772 -1.656 7.156 1.00 0.00 N ATOM 0 H HIS A 27 8.046 -2.766 3.336 1.00 0.00 H new ATOM 0 HA HIS A 27 10.238 -0.786 2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.288 -3.769 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.686 -2.721 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.451 -1.969 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.703 -1.618 7.592 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.196 -1.368 8.038 1.00 0.00 H new ATOM 383 N GLN A 28 8.793 -2.653 0.696 1.00 0.00 N ATOM 384 CA GLN A 28 8.675 -3.112 -0.721 1.00 0.00 C ATOM 385 C GLN A 28 8.217 -1.933 -1.583 1.00 0.00 C ATOM 386 O GLN A 28 7.148 -1.902 -2.165 1.00 0.00 O ATOM 387 CB GLN A 28 7.662 -4.256 -0.773 1.00 0.00 C ATOM 388 CG GLN A 28 8.222 -5.462 -0.006 1.00 0.00 C ATOM 389 CD GLN A 28 8.123 -5.253 1.515 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.103 -4.856 2.045 1.00 0.00 O ATOM 391 NE2 GLN A 28 9.167 -5.509 2.253 1.00 0.00 N ATOM 0 H GLN A 28 7.921 -2.707 1.222 1.00 0.00 H new ATOM 0 HA GLN A 28 9.632 -3.469 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.715 -3.939 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.459 -4.531 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.674 -6.361 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.263 -5.622 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.028 -5.843 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.122 -5.376 3.263 1.00 0.00 H new ATOM 400 N LYS A 29 9.113 -0.992 -1.606 1.00 0.00 N ATOM 401 CA LYS A 29 8.944 0.284 -2.361 1.00 0.00 C ATOM 402 C LYS A 29 9.163 0.176 -3.884 1.00 0.00 C ATOM 403 O LYS A 29 9.205 1.180 -4.571 1.00 0.00 O ATOM 404 CB LYS A 29 9.924 1.319 -1.730 1.00 0.00 C ATOM 405 CG LYS A 29 11.346 0.739 -1.447 1.00 0.00 C ATOM 406 CD LYS A 29 12.022 0.184 -2.726 1.00 0.00 C ATOM 407 CE LYS A 29 13.386 -0.428 -2.369 1.00 0.00 C ATOM 408 NZ LYS A 29 13.194 -1.598 -1.464 1.00 0.00 N ATOM 0 H LYS A 29 10.001 -1.057 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 29 7.902 0.592 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.016 2.175 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.499 1.688 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.974 1.518 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.270 -0.056 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.384 -0.570 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.151 0.983 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.904 -0.740 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.014 0.319 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.033 -2.211 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.059 -1.264 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.356 -2.136 -1.765 1.00 0.00 H new ATOM 422 N GLY A 30 9.293 -1.033 -4.368 1.00 0.00 N ATOM 423 CA GLY A 30 9.513 -1.257 -5.830 1.00 0.00 C ATOM 424 C GLY A 30 8.244 -1.033 -6.658 1.00 0.00 C ATOM 425 O GLY A 30 8.198 -0.166 -7.508 1.00 0.00 O ATOM 0 H GLY A 30 9.256 -1.884 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.296 -0.586 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.871 -2.274 -5.988 1.00 0.00 H new ATOM 429 N GLY A 31 7.260 -1.842 -6.366 1.00 0.00 N ATOM 430 CA GLY A 31 5.942 -1.774 -7.068 1.00 0.00 C ATOM 431 C GLY A 31 4.855 -2.162 -6.068 1.00 0.00 C ATOM 432 O GLY A 31 5.158 -2.761 -5.055 1.00 0.00 O ATOM 0 H GLY A 31 7.316 -2.567 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.766 -0.769 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.931 -2.449 -7.924 1.00 0.00 H new ATOM 436 N TYR A 32 3.622 -1.815 -6.349 1.00 0.00 N ATOM 437 CA TYR A 32 2.520 -2.173 -5.398 1.00 0.00 C ATOM 438 C TYR A 32 1.104 -2.131 -5.983 1.00 0.00 C ATOM 439 O TYR A 32 0.732 -1.207 -6.677 1.00 0.00 O ATOM 440 CB TYR A 32 2.610 -1.225 -4.178 1.00 0.00 C ATOM 441 CG TYR A 32 2.853 0.214 -4.655 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.809 1.056 -4.976 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.146 0.677 -4.769 1.00 0.00 C ATOM 444 CE1 TYR A 32 2.059 2.339 -5.409 1.00 0.00 C ATOM 445 CE2 TYR A 32 4.397 1.956 -5.201 1.00 0.00 C ATOM 446 CZ TYR A 32 3.357 2.801 -5.526 1.00 0.00 C ATOM 447 OH TYR A 32 3.613 4.087 -5.960 1.00 0.00 O ATOM 0 H TYR A 32 3.332 -1.306 -7.184 1.00 0.00 H new ATOM 0 HA TYR A 32 2.675 -3.217 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.688 -1.275 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.419 -1.541 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.791 0.707 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.971 0.027 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.234 2.990 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.416 2.303 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 32 4.577 4.201 -6.093 1.00 0.00 H new ATOM 457 N ASP A 33 0.348 -3.151 -5.675 1.00 0.00 N ATOM 458 CA ASP A 33 -1.053 -3.255 -6.162 1.00 0.00 C ATOM 459 C ASP A 33 -1.992 -3.060 -4.968 1.00 0.00 C ATOM 460 O ASP A 33 -1.590 -3.194 -3.829 1.00 0.00 O ATOM 461 CB ASP A 33 -1.267 -4.652 -6.794 1.00 0.00 C ATOM 462 CG ASP A 33 -2.772 -4.983 -6.964 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.443 -4.245 -7.667 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.173 -5.968 -6.369 1.00 0.00 O ATOM 0 H ASP A 33 0.652 -3.932 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.259 -2.495 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.774 -4.691 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.797 -5.410 -6.168 1.00 0.00 H new ATOM 469 N PHE A 34 -3.218 -2.744 -5.284 1.00 0.00 N ATOM 470 CA PHE A 34 -4.260 -2.529 -4.246 1.00 0.00 C ATOM 471 C PHE A 34 -5.473 -3.332 -4.707 1.00 0.00 C ATOM 472 O PHE A 34 -5.603 -3.636 -5.878 1.00 0.00 O ATOM 473 CB PHE A 34 -4.641 -1.034 -4.139 1.00 0.00 C ATOM 474 CG PHE A 34 -5.722 -0.917 -3.044 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.375 -0.989 -1.708 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.055 -0.755 -3.379 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.337 -0.904 -0.725 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.017 -0.669 -2.394 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.663 -0.744 -1.067 1.00 0.00 C ATOM 0 H PHE A 34 -3.546 -2.624 -6.242 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.902 -2.841 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.769 -0.432 -3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.017 -0.663 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.338 -1.113 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.344 -0.696 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.052 -0.963 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.054 -0.542 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.419 -0.678 -0.298 1.00 0.00 H new ATOM 489 N SER A 35 -6.319 -3.649 -3.763 1.00 0.00 N ATOM 490 CA SER A 35 -7.550 -4.430 -4.056 1.00 0.00 C ATOM 491 C SER A 35 -8.674 -3.844 -3.217 1.00 0.00 C ATOM 492 O SER A 35 -8.588 -3.783 -2.006 1.00 0.00 O ATOM 493 CB SER A 35 -7.305 -5.904 -3.688 1.00 0.00 C ATOM 494 OG SER A 35 -8.528 -6.558 -3.998 1.00 0.00 O ATOM 0 H SER A 35 -6.203 -3.393 -2.782 1.00 0.00 H new ATOM 0 HA SER A 35 -7.815 -4.380 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.476 -6.323 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.053 -6.013 -2.633 1.00 0.00 H new ATOM 0 HG SER A 35 -8.450 -7.513 -3.790 1.00 0.00 H new ATOM 500 N TYR A 36 -9.694 -3.425 -3.915 1.00 0.00 N ATOM 501 CA TYR A 36 -10.885 -2.824 -3.259 1.00 0.00 C ATOM 502 C TYR A 36 -11.978 -3.898 -3.307 1.00 0.00 C ATOM 503 O TYR A 36 -12.480 -4.231 -4.364 1.00 0.00 O ATOM 504 CB TYR A 36 -11.284 -1.588 -4.045 1.00 0.00 C ATOM 505 CG TYR A 36 -12.440 -0.883 -3.325 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.185 -0.062 -2.243 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.746 -1.057 -3.741 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.218 0.574 -1.590 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.778 -0.419 -3.085 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.520 0.401 -2.005 1.00 0.00 C ATOM 511 OH TYR A 36 -15.551 1.039 -1.347 1.00 0.00 O ATOM 0 H TYR A 36 -9.751 -3.476 -4.932 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.703 -2.521 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.434 -0.913 -4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.585 -1.866 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.169 0.082 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.960 -1.696 -4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.005 1.213 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.795 -0.562 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.403 0.807 -1.772 1.00 0.00 H new ATOM 521 N THR A 37 -12.305 -4.402 -2.149 1.00 0.00 N ATOM 522 CA THR A 37 -13.348 -5.463 -2.013 1.00 0.00 C ATOM 523 C THR A 37 -14.022 -5.260 -0.656 1.00 0.00 C ATOM 524 O THR A 37 -15.233 -5.232 -0.551 1.00 0.00 O ATOM 525 CB THR A 37 -12.678 -6.872 -2.085 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.629 -6.855 -1.123 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.959 -7.115 -3.424 1.00 0.00 C ATOM 0 H THR A 37 -11.882 -4.116 -1.266 1.00 0.00 H new ATOM 0 HA THR A 37 -14.082 -5.400 -2.816 1.00 0.00 H new ATOM 0 HB THR A 37 -13.451 -7.626 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.171 -7.721 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.511 -8.109 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.677 -7.043 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.179 -6.366 -3.559 1.00 0.00 H new ATOM 535 N GLY A 38 -13.183 -5.122 0.338 1.00 0.00 N ATOM 536 CA GLY A 38 -13.656 -4.910 1.731 1.00 0.00 C ATOM 537 C GLY A 38 -13.941 -3.422 1.903 1.00 0.00 C ATOM 538 O GLY A 38 -15.082 -3.010 1.826 1.00 0.00 O ATOM 0 H GLY A 38 -12.168 -5.149 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.555 -5.496 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.902 -5.240 2.445 1.00 0.00 H new ATOM 542 N GLN A 39 -12.890 -2.667 2.121 1.00 0.00 N ATOM 543 CA GLN A 39 -13.029 -1.189 2.309 1.00 0.00 C ATOM 544 C GLN A 39 -11.964 -0.346 1.580 1.00 0.00 C ATOM 545 O GLN A 39 -11.125 -0.858 0.867 1.00 0.00 O ATOM 546 CB GLN A 39 -12.982 -0.902 3.814 1.00 0.00 C ATOM 547 CG GLN A 39 -14.229 -1.473 4.511 1.00 0.00 C ATOM 548 CD GLN A 39 -15.523 -0.865 3.950 1.00 0.00 C ATOM 549 OE1 GLN A 39 -15.632 0.326 3.737 1.00 0.00 O ATOM 550 NE2 GLN A 39 -16.526 -1.660 3.700 1.00 0.00 N ATOM 0 H GLN A 39 -11.933 -3.016 2.177 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.978 -0.893 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.083 -1.342 4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.924 0.173 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.252 -2.556 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.169 -1.277 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.440 -2.661 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.397 -1.281 3.327 1.00 0.00 H new ATOM 559 N THR A 40 -12.052 0.944 1.799 1.00 0.00 N ATOM 560 CA THR A 40 -11.113 1.937 1.182 1.00 0.00 C ATOM 561 C THR A 40 -9.748 1.904 1.899 1.00 0.00 C ATOM 562 O THR A 40 -9.598 1.266 2.924 1.00 0.00 O ATOM 563 CB THR A 40 -11.778 3.340 1.299 1.00 0.00 C ATOM 564 OG1 THR A 40 -13.048 3.191 0.678 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.096 4.419 0.433 1.00 0.00 C ATOM 0 H THR A 40 -12.760 1.364 2.401 1.00 0.00 H new ATOM 0 HA THR A 40 -10.928 1.698 0.135 1.00 0.00 H new ATOM 0 HB THR A 40 -11.754 3.639 2.347 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.532 4.042 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.612 5.370 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.055 4.526 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.139 4.125 -0.616 1.00 0.00 H new ATOM 573 N ALA A 41 -8.793 2.594 1.326 1.00 0.00 N ATOM 574 CA ALA A 41 -7.413 2.659 1.908 1.00 0.00 C ATOM 575 C ALA A 41 -6.748 3.994 1.550 1.00 0.00 C ATOM 576 O ALA A 41 -7.254 4.739 0.732 1.00 0.00 O ATOM 577 CB ALA A 41 -6.583 1.504 1.351 1.00 0.00 C ATOM 0 H ALA A 41 -8.912 3.125 0.463 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.475 2.581 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.577 1.544 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.051 0.557 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.528 1.586 0.265 1.00 0.00 H new ATOM 583 N ALA A 42 -5.627 4.248 2.180 1.00 0.00 N ATOM 584 CA ALA A 42 -4.871 5.515 1.930 1.00 0.00 C ATOM 585 C ALA A 42 -3.369 5.352 2.199 1.00 0.00 C ATOM 586 O ALA A 42 -2.953 4.406 2.835 1.00 0.00 O ATOM 587 CB ALA A 42 -5.455 6.608 2.831 1.00 0.00 C ATOM 0 H ALA A 42 -5.199 3.624 2.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.975 5.785 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.918 7.542 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.510 6.749 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.353 6.312 3.875 1.00 0.00 H new ATOM 593 N LEU A 43 -2.606 6.292 1.699 1.00 0.00 N ATOM 594 CA LEU A 43 -1.119 6.297 1.859 1.00 0.00 C ATOM 595 C LEU A 43 -0.728 7.447 2.773 1.00 0.00 C ATOM 596 O LEU A 43 -1.316 8.508 2.723 1.00 0.00 O ATOM 597 CB LEU A 43 -0.401 6.525 0.520 1.00 0.00 C ATOM 598 CG LEU A 43 -0.342 5.310 -0.435 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.437 4.138 0.206 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.729 4.851 -0.846 1.00 0.00 C ATOM 0 H LEU A 43 -2.967 7.084 1.167 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.829 5.328 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.896 7.346 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.619 6.848 0.728 1.00 0.00 H new ATOM 0 HG LEU A 43 0.186 5.634 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.463 3.297 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.455 4.457 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.058 3.833 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.645 3.996 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.294 4.563 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.245 5.664 -1.357 1.00 0.00 H new ATOM 612 N TYR A 44 0.268 7.187 3.572 1.00 0.00 N ATOM 613 CA TYR A 44 0.788 8.192 4.539 1.00 0.00 C ATOM 614 C TYR A 44 2.300 8.302 4.364 1.00 0.00 C ATOM 615 O TYR A 44 3.012 7.329 4.529 1.00 0.00 O ATOM 616 CB TYR A 44 0.425 7.712 5.939 1.00 0.00 C ATOM 617 CG TYR A 44 -1.087 7.852 6.173 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.969 6.956 5.601 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.589 8.873 6.955 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.323 7.082 5.807 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.945 8.995 7.159 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.822 8.101 6.586 1.00 0.00 C ATOM 623 OH TYR A 44 -5.182 8.223 6.787 1.00 0.00 O ATOM 0 H TYR A 44 0.757 6.292 3.595 1.00 0.00 H new ATOM 0 HA TYR A 44 0.355 9.178 4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.725 6.671 6.064 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.971 8.292 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.593 6.151 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.913 9.581 7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.001 6.375 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.324 9.798 7.773 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.583 7.332 6.864 1.00 0.00 H new ATOM 633 N ASN A 45 2.743 9.491 4.037 1.00 0.00 N ATOM 634 CA ASN A 45 4.205 9.742 3.832 1.00 0.00 C ATOM 635 C ASN A 45 5.023 9.496 5.114 1.00 0.00 C ATOM 636 O ASN A 45 6.238 9.552 5.095 1.00 0.00 O ATOM 637 CB ASN A 45 4.368 11.198 3.346 1.00 0.00 C ATOM 638 CG ASN A 45 5.826 11.452 2.943 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.256 11.099 1.862 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.617 12.057 3.786 1.00 0.00 N ATOM 0 H ASN A 45 2.148 10.308 3.902 1.00 0.00 H new ATOM 0 HA ASN A 45 4.590 9.043 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.709 11.384 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.074 11.890 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.591 12.232 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.262 12.355 4.694 1.00 0.00 H new ATOM 647 N GLN A 46 4.319 9.229 6.183 1.00 0.00 N ATOM 648 CA GLN A 46 4.952 8.964 7.502 1.00 0.00 C ATOM 649 C GLN A 46 4.445 7.620 8.037 1.00 0.00 C ATOM 650 O GLN A 46 3.256 7.404 8.183 1.00 0.00 O ATOM 651 CB GLN A 46 4.602 10.127 8.484 1.00 0.00 C ATOM 652 CG GLN A 46 3.085 10.458 8.564 1.00 0.00 C ATOM 653 CD GLN A 46 2.557 11.059 7.248 1.00 0.00 C ATOM 654 OE1 GLN A 46 3.203 11.865 6.608 1.00 0.00 O ATOM 655 NE2 GLN A 46 1.384 10.695 6.812 1.00 0.00 N ATOM 0 H GLN A 46 3.300 9.183 6.192 1.00 0.00 H new ATOM 0 HA GLN A 46 6.036 8.913 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.959 9.866 9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.142 11.022 8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.528 9.551 8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.909 11.160 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.831 10.019 7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.019 11.086 5.943 1.00 0.00 H new ATOM 664 N ALA A 47 5.405 6.767 8.297 1.00 0.00 N ATOM 665 CA ALA A 47 5.175 5.385 8.828 1.00 0.00 C ATOM 666 C ALA A 47 4.039 5.284 9.857 1.00 0.00 C ATOM 667 O ALA A 47 3.786 6.209 10.609 1.00 0.00 O ATOM 668 CB ALA A 47 6.475 4.885 9.470 1.00 0.00 C ATOM 0 H ALA A 47 6.391 6.986 8.155 1.00 0.00 H new ATOM 0 HA ALA A 47 4.873 4.772 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.324 3.879 9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.267 4.868 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.759 5.552 10.284 1.00 0.00 H new ATOM 674 N GLY A 48 3.396 4.143 9.842 1.00 0.00 N ATOM 675 CA GLY A 48 2.262 3.876 10.777 1.00 0.00 C ATOM 676 C GLY A 48 1.218 4.996 10.716 1.00 0.00 C ATOM 677 O GLY A 48 0.650 5.358 11.728 1.00 0.00 O ATOM 0 H GLY A 48 3.614 3.373 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.794 2.925 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.641 3.783 11.795 1.00 0.00 H new ATOM 681 N CYS A 49 1.012 5.494 9.517 1.00 0.00 N ATOM 682 CA CYS A 49 0.035 6.598 9.243 1.00 0.00 C ATOM 683 C CYS A 49 -0.030 7.640 10.367 1.00 0.00 C ATOM 684 O CYS A 49 -1.088 8.064 10.791 1.00 0.00 O ATOM 685 CB CYS A 49 -1.358 5.955 8.997 1.00 0.00 C ATOM 686 SG CYS A 49 -2.132 4.914 10.259 1.00 0.00 S ATOM 0 H CYS A 49 1.502 5.165 8.685 1.00 0.00 H new ATOM 0 HA CYS A 49 0.369 7.146 8.362 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.052 6.767 8.781 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.278 5.355 8.091 1.00 0.00 H new ATOM 691 N SER A 50 1.148 8.013 10.805 1.00 0.00 N ATOM 692 CA SER A 50 1.287 9.020 11.901 1.00 0.00 C ATOM 693 C SER A 50 1.251 10.460 11.358 1.00 0.00 C ATOM 694 O SER A 50 2.006 11.315 11.782 1.00 0.00 O ATOM 695 CB SER A 50 2.621 8.732 12.628 1.00 0.00 C ATOM 696 OG SER A 50 2.486 7.405 13.121 1.00 0.00 O ATOM 0 H SER A 50 2.032 7.656 10.443 1.00 0.00 H new ATOM 0 HA SER A 50 0.449 8.935 12.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.469 8.817 11.948 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.791 9.440 13.439 1.00 0.00 H new ATOM 0 HG SER A 50 2.834 6.773 12.458 1.00 0.00 H new ATOM 702 N GLY A 51 0.357 10.675 10.427 1.00 0.00 N ATOM 703 CA GLY A 51 0.198 12.023 9.802 1.00 0.00 C ATOM 704 C GLY A 51 -1.172 12.134 9.135 1.00 0.00 C ATOM 705 O GLY A 51 -2.190 12.007 9.787 1.00 0.00 O ATOM 0 H GLY A 51 -0.279 9.963 10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.306 12.799 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.984 12.186 9.065 1.00 0.00 H new ATOM 709 N VAL A 52 -1.142 12.370 7.846 1.00 0.00 N ATOM 710 CA VAL A 52 -2.396 12.509 7.042 1.00 0.00 C ATOM 711 C VAL A 52 -2.222 11.767 5.710 1.00 0.00 C ATOM 712 O VAL A 52 -1.114 11.565 5.249 1.00 0.00 O ATOM 713 CB VAL A 52 -2.667 14.031 6.817 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.514 14.685 6.014 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.001 14.243 6.060 1.00 0.00 C ATOM 0 H VAL A 52 -0.283 12.474 7.307 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.249 12.073 7.562 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.731 14.503 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.726 15.744 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.579 14.573 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.425 14.198 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.171 15.310 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.952 13.747 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.821 13.822 6.642 1.00 0.00 H new ATOM 725 N ALA A 53 -3.335 11.384 5.137 1.00 0.00 N ATOM 726 CA ALA A 53 -3.305 10.653 3.838 1.00 0.00 C ATOM 727 C ALA A 53 -2.815 11.532 2.676 1.00 0.00 C ATOM 728 O ALA A 53 -2.756 12.742 2.790 1.00 0.00 O ATOM 729 CB ALA A 53 -4.709 10.140 3.527 1.00 0.00 C ATOM 0 H ALA A 53 -4.267 11.548 5.517 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.600 9.828 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.698 9.603 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.035 9.468 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.398 10.982 3.460 1.00 0.00 H new ATOM 735 N HIS A 54 -2.481 10.872 1.597 1.00 0.00 N ATOM 736 CA HIS A 54 -1.981 11.559 0.365 1.00 0.00 C ATOM 737 C HIS A 54 -2.751 10.980 -0.828 1.00 0.00 C ATOM 738 O HIS A 54 -3.474 11.685 -1.506 1.00 0.00 O ATOM 739 CB HIS A 54 -0.466 11.283 0.248 1.00 0.00 C ATOM 740 CG HIS A 54 0.159 12.005 -0.956 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.225 12.733 -0.897 1.00 0.00 N ATOM 742 CD2 HIS A 54 -0.211 12.057 -2.292 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.504 13.201 -2.072 1.00 0.00 C ATOM 744 NE2 HIS A 54 0.636 12.806 -2.970 1.00 0.00 N ATOM 0 H HIS A 54 -2.535 9.857 1.516 1.00 0.00 H new ATOM 0 HA HIS A 54 -2.135 12.638 0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.033 11.604 1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.299 10.210 0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.069 11.556 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.349 13.839 -2.285 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.619 13.027 -3.966 1.00 0.00 H new ATOM 752 N THR A 55 -2.558 9.700 -1.030 1.00 0.00 N ATOM 753 CA THR A 55 -3.222 8.954 -2.144 1.00 0.00 C ATOM 754 C THR A 55 -4.242 8.011 -1.503 1.00 0.00 C ATOM 755 O THR A 55 -3.973 7.467 -0.451 1.00 0.00 O ATOM 756 CB THR A 55 -2.141 8.172 -2.915 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.289 9.187 -3.427 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.709 7.480 -4.166 1.00 0.00 C ATOM 0 H THR A 55 -1.948 9.124 -0.450 1.00 0.00 H new ATOM 0 HA THR A 55 -3.729 9.616 -2.846 1.00 0.00 H new ATOM 0 HB THR A 55 -1.686 7.426 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.367 9.012 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.911 6.941 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.490 6.779 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.129 8.229 -4.837 1.00 0.00 H new ATOM 766 N ARG A 56 -5.377 7.839 -2.139 1.00 0.00 N ATOM 767 CA ARG A 56 -6.433 6.934 -1.574 1.00 0.00 C ATOM 768 C ARG A 56 -6.991 5.992 -2.645 1.00 0.00 C ATOM 769 O ARG A 56 -7.422 6.433 -3.693 1.00 0.00 O ATOM 770 CB ARG A 56 -7.565 7.812 -0.990 1.00 0.00 C ATOM 771 CG ARG A 56 -6.973 8.807 0.037 1.00 0.00 C ATOM 772 CD ARG A 56 -8.084 9.714 0.591 1.00 0.00 C ATOM 773 NE ARG A 56 -7.463 10.742 1.489 1.00 0.00 N ATOM 774 CZ ARG A 56 -6.786 11.761 1.012 1.00 0.00 C ATOM 775 NH1 ARG A 56 -6.627 11.915 -0.277 1.00 0.00 N ATOM 776 NH2 ARG A 56 -6.279 12.615 1.859 1.00 0.00 N ATOM 0 H ARG A 56 -5.619 8.285 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.994 6.313 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.067 8.356 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.316 7.184 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.497 8.261 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.199 9.413 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.618 10.199 -0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.815 9.122 1.143 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.570 10.647 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.031 11.239 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.099 12.711 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.414 12.481 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.748 13.417 1.519 1.00 0.00 H new ATOM 790 N PHE A 57 -6.962 4.718 -2.339 1.00 0.00 N ATOM 791 CA PHE A 57 -7.479 3.686 -3.292 1.00 0.00 C ATOM 792 C PHE A 57 -8.941 3.342 -2.985 1.00 0.00 C ATOM 793 O PHE A 57 -9.296 3.112 -1.844 1.00 0.00 O ATOM 794 CB PHE A 57 -6.672 2.387 -3.184 1.00 0.00 C ATOM 795 CG PHE A 57 -5.172 2.576 -3.457 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.718 3.132 -4.640 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.249 2.171 -2.509 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.365 3.279 -4.869 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.902 2.318 -2.738 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.455 2.871 -3.918 1.00 0.00 C ATOM 0 H PHE A 57 -6.599 4.345 -1.462 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.389 4.108 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.802 1.969 -2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.073 1.659 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.427 3.453 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.590 1.736 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.019 3.714 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.191 1.999 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.396 2.984 -4.097 1.00 0.00 H new ATOM 810 N GLY A 58 -9.732 3.319 -4.027 1.00 0.00 N ATOM 811 CA GLY A 58 -11.191 2.997 -3.918 1.00 0.00 C ATOM 812 C GLY A 58 -11.557 1.921 -4.956 1.00 0.00 C ATOM 813 O GLY A 58 -12.716 1.609 -5.147 1.00 0.00 O ATOM 0 H GLY A 58 -9.419 3.516 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.422 2.642 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.786 3.895 -4.084 1.00 0.00 H new ATOM 817 N SER A 59 -10.539 1.393 -5.589 1.00 0.00 N ATOM 818 CA SER A 59 -10.696 0.335 -6.633 1.00 0.00 C ATOM 819 C SER A 59 -9.334 -0.353 -6.827 1.00 0.00 C ATOM 820 O SER A 59 -8.332 0.336 -6.880 1.00 0.00 O ATOM 821 CB SER A 59 -11.157 0.988 -7.957 1.00 0.00 C ATOM 822 OG SER A 59 -10.160 1.949 -8.281 1.00 0.00 O ATOM 0 H SER A 59 -9.570 1.663 -5.417 1.00 0.00 H new ATOM 0 HA SER A 59 -11.441 -0.400 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.254 0.244 -8.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.133 1.460 -7.842 1.00 0.00 H new ATOM 0 HG SER A 59 -9.324 1.720 -7.824 1.00 0.00 H new ATOM 828 N SER A 60 -9.321 -1.666 -6.916 1.00 0.00 N ATOM 829 CA SER A 60 -8.052 -2.426 -7.110 1.00 0.00 C ATOM 830 C SER A 60 -7.141 -1.726 -8.139 1.00 0.00 C ATOM 831 O SER A 60 -7.492 -1.596 -9.295 1.00 0.00 O ATOM 832 CB SER A 60 -8.429 -3.849 -7.571 1.00 0.00 C ATOM 833 OG SER A 60 -9.145 -3.690 -8.789 1.00 0.00 O ATOM 0 H SER A 60 -10.156 -2.249 -6.860 1.00 0.00 H new ATOM 0 HA SER A 60 -7.489 -2.472 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.538 -4.460 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.040 -4.353 -6.822 1.00 0.00 H new ATOM 0 HG SER A 60 -8.755 -2.953 -9.304 1.00 0.00 H new ATOM 839 N ALA A 61 -5.997 -1.300 -7.664 1.00 0.00 N ATOM 840 CA ALA A 61 -5.009 -0.590 -8.546 1.00 0.00 C ATOM 841 C ALA A 61 -3.649 -1.294 -8.633 1.00 0.00 C ATOM 842 O ALA A 61 -2.882 -1.269 -7.693 1.00 0.00 O ATOM 843 CB ALA A 61 -4.828 0.837 -7.999 1.00 0.00 C ATOM 0 H ALA A 61 -5.699 -1.413 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.406 -0.585 -9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.114 1.377 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.786 1.356 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.455 0.790 -6.976 1.00 0.00 H new ATOM 849 N ARG A 62 -3.406 -1.891 -9.774 1.00 0.00 N ATOM 850 CA ARG A 62 -2.137 -2.631 -10.058 1.00 0.00 C ATOM 851 C ARG A 62 -0.962 -1.693 -10.393 1.00 0.00 C ATOM 852 O ARG A 62 -0.568 -1.600 -11.540 1.00 0.00 O ATOM 853 CB ARG A 62 -2.428 -3.595 -11.239 1.00 0.00 C ATOM 854 CG ARG A 62 -3.382 -4.730 -10.816 1.00 0.00 C ATOM 855 CD ARG A 62 -2.588 -5.856 -10.121 1.00 0.00 C ATOM 856 NE ARG A 62 -3.563 -6.792 -9.478 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.186 -7.723 -10.160 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.974 -7.871 -11.441 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.022 -8.493 -9.518 1.00 0.00 N ATOM 0 H ARG A 62 -4.065 -1.895 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.828 -3.177 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.867 -3.037 -12.066 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.493 -4.020 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.145 -4.342 -10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.900 -5.125 -11.690 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.972 -6.389 -10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.913 -5.439 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.749 -6.703 -8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.317 -7.258 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.466 -8.600 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.173 -8.360 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.524 -9.228 -10.016 1.00 0.00 H new ATOM 873 N ALA A 63 -0.426 -1.020 -9.399 1.00 0.00 N ATOM 874 CA ALA A 63 0.722 -0.101 -9.681 1.00 0.00 C ATOM 875 C ALA A 63 2.031 -0.887 -9.525 1.00 0.00 C ATOM 876 O ALA A 63 2.076 -1.890 -8.837 1.00 0.00 O ATOM 877 CB ALA A 63 0.691 1.093 -8.698 1.00 0.00 C ATOM 0 H ALA A 63 -0.727 -1.066 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 63 0.649 0.288 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.528 1.759 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.245 1.639 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.768 0.724 -7.675 1.00 0.00 H new ATOM 883 N CYS A 64 3.062 -0.413 -10.176 1.00 0.00 N ATOM 884 CA CYS A 64 4.395 -1.094 -10.102 1.00 0.00 C ATOM 885 C CYS A 64 5.499 -0.025 -10.141 1.00 0.00 C ATOM 886 O CYS A 64 6.649 -0.301 -10.421 1.00 0.00 O ATOM 887 CB CYS A 64 4.472 -2.065 -11.301 1.00 0.00 C ATOM 888 SG CYS A 64 2.980 -3.070 -11.504 1.00 0.00 S ATOM 0 H CYS A 64 3.040 0.423 -10.761 1.00 0.00 H new ATOM 0 HA CYS A 64 4.527 -1.659 -9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.643 -1.493 -12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.331 -2.724 -11.172 1.00 0.00 H new ATOM 893 N ASN A 65 5.080 1.180 -9.847 1.00 0.00 N ATOM 894 CA ASN A 65 5.977 2.367 -9.824 1.00 0.00 C ATOM 895 C ASN A 65 6.718 2.421 -8.472 1.00 0.00 C ATOM 896 O ASN A 65 6.295 1.769 -7.537 1.00 0.00 O ATOM 897 CB ASN A 65 5.093 3.599 -10.023 1.00 0.00 C ATOM 898 CG ASN A 65 4.248 3.421 -11.290 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.171 2.857 -11.260 1.00 0.00 O ATOM 900 ND2 ASN A 65 4.703 3.887 -12.418 1.00 0.00 N ATOM 0 H ASN A 65 4.110 1.393 -9.613 1.00 0.00 H new ATOM 0 HA ASN A 65 6.731 2.321 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.445 3.739 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.710 4.493 -10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.156 3.778 -13.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.606 4.361 -12.447 1.00 0.00 H new ATOM 907 N PRO A 66 7.792 3.179 -8.389 1.00 0.00 N ATOM 908 CA PRO A 66 8.477 3.457 -7.088 1.00 0.00 C ATOM 909 C PRO A 66 7.478 4.018 -6.059 1.00 0.00 C ATOM 910 O PRO A 66 6.496 4.637 -6.427 1.00 0.00 O ATOM 911 CB PRO A 66 9.599 4.446 -7.412 1.00 0.00 C ATOM 912 CG PRO A 66 9.704 4.530 -8.945 1.00 0.00 C ATOM 913 CD PRO A 66 8.465 3.847 -9.545 1.00 0.00 C ATOM 0 HA PRO A 66 8.886 2.554 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.382 5.426 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.542 4.113 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.759 5.570 -9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.614 4.041 -9.292 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.805 4.573 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.745 3.123 -10.310 1.00 0.00 H new ATOM 921 N PHE A 67 7.762 3.784 -4.802 1.00 0.00 N ATOM 922 CA PHE A 67 6.863 4.277 -3.709 1.00 0.00 C ATOM 923 C PHE A 67 6.941 5.805 -3.603 1.00 0.00 C ATOM 924 O PHE A 67 7.831 6.420 -4.159 1.00 0.00 O ATOM 925 CB PHE A 67 7.303 3.628 -2.382 1.00 0.00 C ATOM 926 CG PHE A 67 6.086 3.381 -1.477 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.133 2.456 -1.857 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.918 4.063 -0.288 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.034 2.213 -1.070 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.813 3.818 0.504 1.00 0.00 C ATOM 931 CZ PHE A 67 3.872 2.895 0.112 1.00 0.00 C ATOM 0 H PHE A 67 8.583 3.270 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 67 5.831 4.005 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.813 2.685 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.018 4.275 -1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.254 1.917 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.653 4.790 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.298 1.486 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.688 4.353 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.008 2.707 0.732 1.00 0.00 H new ATOM 941 N GLY A 68 6.000 6.365 -2.886 1.00 0.00 N ATOM 942 CA GLY A 68 5.957 7.849 -2.701 1.00 0.00 C ATOM 943 C GLY A 68 5.533 8.234 -1.283 1.00 0.00 C ATOM 944 O GLY A 68 5.461 9.409 -0.974 1.00 0.00 O ATOM 0 H GLY A 68 5.253 5.854 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.940 8.270 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.262 8.285 -3.419 1.00 0.00 H new ATOM 948 N TRP A 69 5.262 7.245 -0.463 1.00 0.00 N ATOM 949 CA TRP A 69 4.836 7.522 0.947 1.00 0.00 C ATOM 950 C TRP A 69 5.740 6.729 1.916 1.00 0.00 C ATOM 951 O TRP A 69 6.926 6.623 1.666 1.00 0.00 O ATOM 952 CB TRP A 69 3.350 7.108 1.056 1.00 0.00 C ATOM 953 CG TRP A 69 2.585 7.708 -0.136 1.00 0.00 C ATOM 954 CD1 TRP A 69 1.976 8.931 -0.180 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.408 7.098 -1.344 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.472 8.997 -1.388 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.675 7.953 -2.164 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.814 5.853 -1.826 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.354 7.563 -3.459 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.489 5.463 -3.120 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.758 6.319 -3.940 1.00 0.00 C ATOM 0 H TRP A 69 5.318 6.257 -0.710 1.00 0.00 H new ATOM 0 HA TRP A 69 4.936 8.575 1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.259 6.022 1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.926 7.463 1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.922 9.674 0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.951 9.813 -1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.383 5.190 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.789 8.227 -4.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.803 4.498 -3.489 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.505 6.019 -4.946 1.00 0.00 H new ATOM 972 N LYS A 70 5.186 6.200 2.984 1.00 0.00 N ATOM 973 CA LYS A 70 5.999 5.416 3.965 1.00 0.00 C ATOM 974 C LYS A 70 5.156 4.279 4.580 1.00 0.00 C ATOM 975 O LYS A 70 5.704 3.285 5.018 1.00 0.00 O ATOM 976 CB LYS A 70 6.502 6.379 5.066 1.00 0.00 C ATOM 977 CG LYS A 70 7.547 5.640 5.922 1.00 0.00 C ATOM 978 CD LYS A 70 8.410 6.625 6.763 1.00 0.00 C ATOM 979 CE LYS A 70 9.320 7.489 5.861 1.00 0.00 C ATOM 980 NZ LYS A 70 10.200 6.619 5.032 1.00 0.00 N ATOM 0 H LYS A 70 4.196 6.280 3.218 1.00 0.00 H new ATOM 0 HA LYS A 70 6.850 4.960 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.941 7.270 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.670 6.712 5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.042 4.941 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.196 5.051 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.758 7.272 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.022 6.063 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.710 8.121 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.928 8.153 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.016 7.170 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.535 5.818 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.664 6.261 4.216 1.00 0.00 H new ATOM 994 N SER A 71 3.858 4.463 4.590 1.00 0.00 N ATOM 995 CA SER A 71 2.918 3.441 5.155 1.00 0.00 C ATOM 996 C SER A 71 1.587 3.415 4.409 1.00 0.00 C ATOM 997 O SER A 71 1.204 4.361 3.750 1.00 0.00 O ATOM 998 CB SER A 71 2.654 3.735 6.646 1.00 0.00 C ATOM 999 OG SER A 71 2.433 5.135 6.733 1.00 0.00 O ATOM 0 H SER A 71 3.400 5.297 4.222 1.00 0.00 H new ATOM 0 HA SER A 71 3.392 2.466 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.788 3.180 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.503 3.435 7.260 1.00 0.00 H new ATOM 0 HG SER A 71 2.956 5.503 7.475 1.00 0.00 H new ATOM 1005 N ILE A 72 0.940 2.290 4.563 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.381 2.028 3.930 1.00 0.00 C ATOM 1007 C ILE A 72 -1.402 1.770 5.038 1.00 0.00 C ATOM 1008 O ILE A 72 -1.185 0.936 5.893 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.247 0.802 2.995 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -1.605 0.576 2.296 1.00 0.00 C ATOM 1011 CG2 ILE A 72 0.158 -0.498 3.754 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -1.901 1.626 1.209 1.00 0.00 C ATOM 0 H ILE A 72 1.290 1.514 5.124 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.714 2.880 3.337 1.00 0.00 H new ATOM 0 HB ILE A 72 0.546 1.013 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.616 -0.417 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.400 0.598 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.236 -1.323 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.120 -0.348 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.599 -0.733 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.868 1.415 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.920 2.619 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.124 1.588 0.445 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.476 2.510 4.980 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.578 2.391 5.974 1.00 0.00 C ATOM 1026 C PHE A 73 -4.736 1.637 5.322 1.00 0.00 C ATOM 1027 O PHE A 73 -5.206 2.022 4.269 1.00 0.00 O ATOM 1028 CB PHE A 73 -3.994 3.807 6.390 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.249 3.812 7.281 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.394 2.933 8.341 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.262 4.716 7.020 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.529 2.962 9.124 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.395 4.746 7.801 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.530 3.867 8.854 1.00 0.00 C ATOM 0 H PHE A 73 -2.638 3.214 4.260 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.266 1.841 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.171 4.282 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.183 4.404 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.612 2.219 8.556 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.163 5.406 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.632 2.274 9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.178 5.458 7.589 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.420 3.888 9.466 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.153 0.586 5.981 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.276 -0.252 5.470 1.00 0.00 C ATOM 1046 C ILE A 74 -7.413 -0.067 6.476 1.00 0.00 C ATOM 1047 O ILE A 74 -7.194 -0.126 7.672 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.836 -1.744 5.412 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.496 -1.925 4.627 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.953 -2.595 4.750 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.597 -1.448 3.160 1.00 0.00 C ATOM 0 H ILE A 74 -4.755 0.270 6.865 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.581 0.036 4.464 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.669 -2.082 6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.706 -1.370 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.208 -2.976 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.641 -3.639 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.869 -2.512 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.135 -2.233 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.639 -1.597 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.367 -2.021 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.857 -0.390 3.139 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.591 0.152 5.951 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.797 0.350 6.809 1.00 0.00 C ATOM 1065 C GLN A 75 -10.148 -0.951 7.553 1.00 0.00 C ATOM 1066 O GLN A 75 -10.925 -1.751 7.066 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.938 0.797 5.896 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.723 2.263 5.495 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.129 3.194 6.645 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.292 3.477 6.851 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -10.203 3.691 7.413 1.00 0.00 N ATOM 0 H GLN A 75 -8.770 0.203 4.948 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.612 1.108 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.976 0.167 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.894 0.684 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.677 2.427 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.310 2.494 4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.224 3.459 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.457 4.313 8.181 1.00 0.00 H new ATOM 1080 N CYS A 76 -9.545 -1.105 8.709 1.00 0.00 N ATOM 1081 CA CYS A 76 -9.745 -2.293 9.593 1.00 0.00 C ATOM 1082 C CYS A 76 -11.159 -2.910 9.526 1.00 0.00 C ATOM 1083 O CYS A 76 -12.099 -2.152 9.704 1.00 0.00 O ATOM 1084 CB CYS A 76 -9.444 -1.858 11.024 1.00 0.00 C ATOM 1085 SG CYS A 76 -9.405 -3.181 12.252 1.00 0.00 S ATOM 1086 OXT CYS A 76 -11.215 -4.107 9.296 1.00 0.00 O ATOM 0 H CYS A 76 -8.892 -0.420 9.090 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.072 -3.076 9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.480 -1.349 11.034 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.194 -1.127 11.328 1.00 0.00 H new TER 1091 CYS A 76