USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 14 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Set 1.2: A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0139 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.937 USER MOD Single : A 6 SER OG : rot 75:sc= 0.214 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 15:sc= -1.15 USER MOD Single : A 25 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.7!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.703 K(o=-0.7,f=0.12) USER MOD Single : A 36 GLN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -0.16 K(o=-0.16,f=-5.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.1) USER MOD Single : A 48 GLN : amide:sc= -4.93! C(o=-4.9!,f=-9.9!) USER MOD Single : A 49 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.75) USER MOD Single : A 53 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.57) USER MOD Single : A 55 GLN : amide:sc= -3.67! X(o=-3.7!,f=-3.3) USER MOD Single : A 58 GLN : amide:sc= 0.223 X(o=0.22,f=-0.15) USER MOD Single : A 66 TYR OH : rot -63:sc= -1.21! USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= -1.45 (180deg=-2.17!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 40:sc= 0.162 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.834 0.419 -18.196 1.00 0.00 N ATOM 2 CA GLY A 1 -3.389 0.341 -16.817 1.00 0.00 C ATOM 3 C GLY A 1 -4.160 -0.689 -16.016 1.00 0.00 C ATOM 4 O GLY A 1 -4.552 -1.729 -16.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.010 0.379 -18.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.468 -0.379 -18.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.344 1.313 -18.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.328 0.094 -16.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.499 1.318 -16.347 1.00 0.00 H new ATOM 8 N SER A 2 -4.376 -0.400 -14.737 1.00 0.00 N ATOM 9 CA SER A 2 -5.101 -1.313 -13.859 1.00 0.00 C ATOM 10 C SER A 2 -6.473 -0.749 -13.504 1.00 0.00 C ATOM 11 O SER A 2 -6.616 0.006 -12.542 1.00 0.00 O ATOM 12 CB SER A 2 -4.297 -1.573 -12.584 1.00 0.00 C ATOM 13 OG SER A 2 -3.052 -2.182 -12.880 1.00 0.00 O ATOM 0 H SER A 2 -4.060 0.458 -14.285 1.00 0.00 H new ATOM 0 HA SER A 2 -5.241 -2.255 -14.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.129 -0.633 -12.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.869 -2.215 -11.914 1.00 0.00 H new ATOM 0 HG SER A 2 -2.557 -2.336 -12.048 1.00 0.00 H new ATOM 19 N SER A 3 -7.480 -1.122 -14.287 1.00 0.00 N ATOM 20 CA SER A 3 -8.841 -0.652 -14.058 1.00 0.00 C ATOM 21 C SER A 3 -9.617 -1.636 -13.188 1.00 0.00 C ATOM 22 O SER A 3 -9.120 -2.710 -12.851 1.00 0.00 O ATOM 23 CB SER A 3 -9.565 -0.452 -15.391 1.00 0.00 C ATOM 24 OG SER A 3 -9.296 0.831 -15.929 1.00 0.00 O ATOM 0 H SER A 3 -7.379 -1.748 -15.086 1.00 0.00 H new ATOM 0 HA SER A 3 -8.786 0.303 -13.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.251 -1.220 -16.098 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.639 -0.572 -15.247 1.00 0.00 H new ATOM 0 HG SER A 3 -9.768 0.934 -16.781 1.00 0.00 H new ATOM 30 N GLY A 4 -10.840 -1.260 -12.826 1.00 0.00 N ATOM 31 CA GLY A 4 -11.666 -2.120 -11.998 1.00 0.00 C ATOM 32 C GLY A 4 -11.396 -1.933 -10.518 1.00 0.00 C ATOM 33 O GLY A 4 -10.249 -2.008 -10.076 1.00 0.00 O ATOM 0 H GLY A 4 -11.273 -0.376 -13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.717 -1.914 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.487 -3.161 -12.268 1.00 0.00 H new ATOM 37 N SER A 5 -12.453 -1.688 -9.751 1.00 0.00 N ATOM 38 CA SER A 5 -12.324 -1.485 -8.313 1.00 0.00 C ATOM 39 C SER A 5 -11.507 -2.606 -7.677 1.00 0.00 C ATOM 40 O SER A 5 -11.959 -3.748 -7.595 1.00 0.00 O ATOM 41 CB SER A 5 -13.705 -1.411 -7.661 1.00 0.00 C ATOM 42 OG SER A 5 -14.379 -2.655 -7.751 1.00 0.00 O ATOM 0 H SER A 5 -13.409 -1.625 -10.101 1.00 0.00 H new ATOM 0 HA SER A 5 -11.803 -0.542 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.602 -1.125 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.299 -0.636 -8.146 1.00 0.00 H new ATOM 0 HG SER A 5 -13.724 -3.384 -7.740 1.00 0.00 H new ATOM 48 N SER A 6 -10.302 -2.270 -7.229 1.00 0.00 N ATOM 49 CA SER A 6 -9.420 -3.248 -6.603 1.00 0.00 C ATOM 50 C SER A 6 -8.541 -2.589 -5.544 1.00 0.00 C ATOM 51 O SER A 6 -8.268 -1.391 -5.606 1.00 0.00 O ATOM 52 CB SER A 6 -8.544 -3.925 -7.659 1.00 0.00 C ATOM 53 OG SER A 6 -9.335 -4.580 -8.635 1.00 0.00 O ATOM 0 H SER A 6 -9.914 -1.328 -7.288 1.00 0.00 H new ATOM 0 HA SER A 6 -10.040 -4.001 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.909 -3.181 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.882 -4.646 -7.179 1.00 0.00 H new ATOM 0 HG SER A 6 -9.728 -3.915 -9.238 1.00 0.00 H new ATOM 59 N GLY A 7 -8.102 -3.382 -4.571 1.00 0.00 N ATOM 60 CA GLY A 7 -7.260 -2.859 -3.511 1.00 0.00 C ATOM 61 C GLY A 7 -8.014 -1.937 -2.573 1.00 0.00 C ATOM 62 O GLY A 7 -9.212 -1.711 -2.745 1.00 0.00 O ATOM 0 H GLY A 7 -8.314 -4.377 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.841 -3.688 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.422 -2.319 -3.950 1.00 0.00 H new ATOM 66 N ILE A 8 -7.311 -1.405 -1.578 1.00 0.00 N ATOM 67 CA ILE A 8 -7.922 -0.503 -0.610 1.00 0.00 C ATOM 68 C ILE A 8 -7.505 0.941 -0.864 1.00 0.00 C ATOM 69 O ILE A 8 -6.406 1.203 -1.350 1.00 0.00 O ATOM 70 CB ILE A 8 -7.546 -0.888 0.833 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.026 -0.866 1.010 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.104 -2.261 1.178 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.587 -0.624 2.437 1.00 0.00 C ATOM 0 H ILE A 8 -6.319 -1.583 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.001 -0.593 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.984 -0.158 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.615 -1.816 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.605 -0.089 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.830 -2.519 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.190 -2.246 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.692 -3.003 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.498 -0.621 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.968 0.339 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.978 -1.415 3.077 1.00 0.00 H new ATOM 85 N GLN A 9 -8.391 1.874 -0.529 1.00 0.00 N ATOM 86 CA GLN A 9 -8.113 3.293 -0.720 1.00 0.00 C ATOM 87 C GLN A 9 -7.642 3.936 0.580 1.00 0.00 C ATOM 88 O GLN A 9 -8.343 3.900 1.592 1.00 0.00 O ATOM 89 CB GLN A 9 -9.360 4.013 -1.237 1.00 0.00 C ATOM 90 CG GLN A 9 -9.054 5.304 -1.979 1.00 0.00 C ATOM 91 CD GLN A 9 -10.298 5.964 -2.540 1.00 0.00 C ATOM 92 OE1 GLN A 9 -10.658 7.073 -2.145 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.963 5.283 -3.466 1.00 0.00 N ATOM 0 H GLN A 9 -9.306 1.673 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.316 3.385 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.907 3.343 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.017 4.234 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.553 5.997 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.360 5.095 -2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.628 4.367 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.808 5.676 -3.880 1.00 0.00 H new ATOM 102 N VAL A 10 -6.450 4.523 0.547 1.00 0.00 N ATOM 103 CA VAL A 10 -5.886 5.174 1.722 1.00 0.00 C ATOM 104 C VAL A 10 -5.644 6.658 1.466 1.00 0.00 C ATOM 105 O VAL A 10 -4.994 7.032 0.490 1.00 0.00 O ATOM 106 CB VAL A 10 -4.560 4.516 2.147 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.786 3.063 2.536 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.531 4.623 1.031 1.00 0.00 C ATOM 0 H VAL A 10 -5.856 4.561 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.614 5.060 2.525 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.174 5.045 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.838 2.614 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.488 3.014 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.194 2.518 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.600 4.153 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.907 4.119 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.348 5.673 0.804 1.00 0.00 H new ATOM 118 N PHE A 11 -6.172 7.499 2.349 1.00 0.00 N ATOM 119 CA PHE A 11 -6.015 8.943 2.219 1.00 0.00 C ATOM 120 C PHE A 11 -4.767 9.422 2.954 1.00 0.00 C ATOM 121 O PHE A 11 -4.735 9.465 4.184 1.00 0.00 O ATOM 122 CB PHE A 11 -7.250 9.663 2.764 1.00 0.00 C ATOM 123 CG PHE A 11 -8.478 9.470 1.921 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.724 10.292 0.833 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.386 8.466 2.216 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.853 10.117 0.055 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.516 8.285 1.441 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.750 9.112 0.360 1.00 0.00 C ATOM 0 H PHE A 11 -6.713 7.205 3.163 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.904 9.178 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.453 9.306 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.035 10.729 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.025 11.079 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.209 7.817 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.033 10.765 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.215 7.498 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.633 8.973 -0.246 1.00 0.00 H new ATOM 138 N VAL A 12 -3.740 9.782 2.191 1.00 0.00 N ATOM 139 CA VAL A 12 -2.489 10.259 2.768 1.00 0.00 C ATOM 140 C VAL A 12 -2.545 11.758 3.039 1.00 0.00 C ATOM 141 O VAL A 12 -2.487 12.570 2.115 1.00 0.00 O ATOM 142 CB VAL A 12 -1.294 9.960 1.843 1.00 0.00 C ATOM 143 CG1 VAL A 12 -0.002 10.480 2.454 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.198 8.468 1.562 1.00 0.00 C ATOM 0 H VAL A 12 -3.750 9.752 1.171 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.352 9.727 3.710 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.453 10.475 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.831 10.260 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.076 11.558 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.166 9.996 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.348 8.275 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.063 7.929 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.114 8.129 1.078 1.00 0.00 H new ATOM 154 N LYS A 13 -2.658 12.119 4.313 1.00 0.00 N ATOM 155 CA LYS A 13 -2.720 13.522 4.708 1.00 0.00 C ATOM 156 C LYS A 13 -1.323 14.127 4.787 1.00 0.00 C ATOM 157 O LYS A 13 -0.454 13.617 5.493 1.00 0.00 O ATOM 158 CB LYS A 13 -3.426 13.661 6.059 1.00 0.00 C ATOM 159 CG LYS A 13 -3.439 15.082 6.594 1.00 0.00 C ATOM 160 CD LYS A 13 -4.275 15.194 7.858 1.00 0.00 C ATOM 161 CE LYS A 13 -4.028 16.512 8.575 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.804 16.609 9.843 1.00 0.00 N ATOM 0 H LYS A 13 -2.709 11.460 5.090 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.288 14.063 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.453 13.309 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.935 13.013 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.418 15.403 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.836 15.755 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.332 15.109 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.039 14.366 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.965 16.614 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.300 17.339 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.608 17.522 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.820 16.538 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.526 15.835 10.480 1.00 0.00 H new ATOM 176 N ASN A 14 -1.114 15.220 4.060 1.00 0.00 N ATOM 177 CA ASN A 14 0.178 15.896 4.049 1.00 0.00 C ATOM 178 C ASN A 14 0.475 16.524 5.407 1.00 0.00 C ATOM 179 O ASN A 14 -0.426 16.821 6.191 1.00 0.00 O ATOM 180 CB ASN A 14 0.206 16.970 2.960 1.00 0.00 C ATOM 181 CG ASN A 14 0.369 16.383 1.572 1.00 0.00 C ATOM 182 OD1 ASN A 14 0.135 15.193 1.358 1.00 0.00 O ATOM 183 ND2 ASN A 14 0.772 17.217 0.620 1.00 0.00 N ATOM 0 H ASN A 14 -1.823 15.656 3.471 1.00 0.00 H new ATOM 0 HA ASN A 14 0.947 15.153 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.717 17.548 3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.025 17.662 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.899 16.879 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.954 18.196 0.843 1.00 0.00 H new ATOM 190 N PRO A 15 1.769 16.731 5.693 1.00 0.00 N ATOM 191 CA PRO A 15 2.215 17.327 6.956 1.00 0.00 C ATOM 192 C PRO A 15 1.854 18.805 7.059 1.00 0.00 C ATOM 193 O PRO A 15 1.416 19.275 8.110 1.00 0.00 O ATOM 194 CB PRO A 15 3.734 17.149 6.915 1.00 0.00 C ATOM 195 CG PRO A 15 4.068 17.074 5.465 1.00 0.00 C ATOM 196 CD PRO A 15 2.896 16.401 4.805 1.00 0.00 C ATOM 0 HA PRO A 15 1.740 16.858 7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.243 17.984 7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.041 16.244 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.231 18.069 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.985 16.507 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.734 16.776 3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.043 15.324 4.726 1.00 0.00 H new ATOM 204 N ASP A 16 2.039 19.532 5.963 1.00 0.00 N ATOM 205 CA ASP A 16 1.731 20.957 5.930 1.00 0.00 C ATOM 206 C ASP A 16 0.238 21.186 5.720 1.00 0.00 C ATOM 207 O ASP A 16 -0.368 22.035 6.372 1.00 0.00 O ATOM 208 CB ASP A 16 2.526 21.647 4.820 1.00 0.00 C ATOM 209 CG ASP A 16 3.889 22.116 5.290 1.00 0.00 C ATOM 210 OD1 ASP A 16 3.958 22.770 6.351 1.00 0.00 O ATOM 211 OD2 ASP A 16 4.887 21.829 4.596 1.00 0.00 O ATOM 0 H ASP A 16 2.401 19.158 5.086 1.00 0.00 H new ATOM 0 HA ASP A 16 2.015 21.387 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.650 20.958 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.959 22.501 4.448 1.00 0.00 H new ATOM 216 N GLY A 17 -0.350 20.421 4.805 1.00 0.00 N ATOM 217 CA GLY A 17 -1.768 20.557 4.525 1.00 0.00 C ATOM 218 C GLY A 17 -2.162 19.917 3.208 1.00 0.00 C ATOM 219 O GLY A 17 -1.661 20.296 2.151 1.00 0.00 O ATOM 0 H GLY A 17 0.130 19.710 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.340 20.101 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.032 21.614 4.505 1.00 0.00 H new ATOM 223 N GLY A 18 -3.063 18.941 3.273 1.00 0.00 N ATOM 224 CA GLY A 18 -3.507 18.261 2.070 1.00 0.00 C ATOM 225 C GLY A 18 -3.822 16.798 2.314 1.00 0.00 C ATOM 226 O GLY A 18 -3.521 16.261 3.380 1.00 0.00 O ATOM 0 H GLY A 18 -3.493 18.609 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.394 18.760 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.734 18.341 1.305 1.00 0.00 H new ATOM 230 N SER A 19 -4.432 16.153 1.325 1.00 0.00 N ATOM 231 CA SER A 19 -4.793 14.745 1.439 1.00 0.00 C ATOM 232 C SER A 19 -5.111 14.153 0.069 1.00 0.00 C ATOM 233 O SER A 19 -5.996 14.636 -0.638 1.00 0.00 O ATOM 234 CB SER A 19 -5.995 14.579 2.370 1.00 0.00 C ATOM 235 OG SER A 19 -6.924 15.635 2.197 1.00 0.00 O ATOM 0 H SER A 19 -4.687 16.583 0.436 1.00 0.00 H new ATOM 0 HA SER A 19 -3.941 14.210 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.483 13.625 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.656 14.555 3.406 1.00 0.00 H new ATOM 0 HG SER A 19 -7.684 15.505 2.802 1.00 0.00 H new ATOM 241 N TYR A 20 -4.384 13.104 -0.299 1.00 0.00 N ATOM 242 CA TYR A 20 -4.585 12.447 -1.584 1.00 0.00 C ATOM 243 C TYR A 20 -5.080 11.017 -1.393 1.00 0.00 C ATOM 244 O TYR A 20 -4.753 10.362 -0.404 1.00 0.00 O ATOM 245 CB TYR A 20 -3.285 12.445 -2.390 1.00 0.00 C ATOM 246 CG TYR A 20 -2.548 13.765 -2.352 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.128 14.922 -2.856 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.270 13.854 -1.813 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.458 16.129 -2.825 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.593 15.058 -1.776 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.191 16.192 -2.284 1.00 0.00 C ATOM 252 OH TYR A 20 -0.521 17.394 -2.250 1.00 0.00 O ATOM 0 H TYR A 20 -3.650 12.690 0.275 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.343 13.005 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.631 11.662 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.510 12.194 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.120 14.877 -3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.798 12.967 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.924 17.019 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.399 15.111 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.168 18.127 -2.178 1.00 0.00 H new ATOM 262 N ALA A 21 -5.872 10.539 -2.348 1.00 0.00 N ATOM 263 CA ALA A 21 -6.410 9.186 -2.288 1.00 0.00 C ATOM 264 C ALA A 21 -5.588 8.229 -3.144 1.00 0.00 C ATOM 265 O ALA A 21 -5.607 8.306 -4.372 1.00 0.00 O ATOM 266 CB ALA A 21 -7.865 9.177 -2.732 1.00 0.00 C ATOM 0 H ALA A 21 -6.155 11.069 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.354 8.845 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.254 8.160 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.450 9.822 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.935 9.543 -3.756 1.00 0.00 H new ATOM 272 N TYR A 22 -4.866 7.328 -2.487 1.00 0.00 N ATOM 273 CA TYR A 22 -4.033 6.357 -3.188 1.00 0.00 C ATOM 274 C TYR A 22 -4.759 5.024 -3.337 1.00 0.00 C ATOM 275 O TYR A 22 -5.730 4.750 -2.631 1.00 0.00 O ATOM 276 CB TYR A 22 -2.714 6.152 -2.442 1.00 0.00 C ATOM 277 CG TYR A 22 -1.743 7.299 -2.603 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.865 8.452 -1.837 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.701 7.230 -3.520 1.00 0.00 C ATOM 280 CE1 TYR A 22 -0.981 9.503 -1.981 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.189 8.276 -3.669 1.00 0.00 C ATOM 282 CZ TYR A 22 0.045 9.410 -2.898 1.00 0.00 C ATOM 283 OH TYR A 22 0.930 10.454 -3.044 1.00 0.00 O ATOM 0 H TYR A 22 -4.841 7.250 -1.470 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.822 6.748 -4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.924 6.011 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.243 5.236 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.666 8.527 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.585 6.344 -4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.092 10.393 -1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.994 8.206 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 22 0.844 11.064 -2.282 1.00 0.00 H new ATOM 293 N ALA A 23 -4.281 4.197 -4.261 1.00 0.00 N ATOM 294 CA ALA A 23 -4.881 2.891 -4.502 1.00 0.00 C ATOM 295 C ALA A 23 -3.822 1.794 -4.517 1.00 0.00 C ATOM 296 O ALA A 23 -2.908 1.811 -5.342 1.00 0.00 O ATOM 297 CB ALA A 23 -5.654 2.898 -5.812 1.00 0.00 C ATOM 0 H ALA A 23 -3.479 4.409 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.573 2.681 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.097 1.916 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.443 3.648 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.977 3.135 -6.633 1.00 0.00 H new ATOM 303 N ILE A 24 -3.950 0.842 -3.599 1.00 0.00 N ATOM 304 CA ILE A 24 -3.003 -0.263 -3.507 1.00 0.00 C ATOM 305 C ILE A 24 -3.653 -1.494 -2.885 1.00 0.00 C ATOM 306 O ILE A 24 -4.526 -1.379 -2.026 1.00 0.00 O ATOM 307 CB ILE A 24 -1.764 0.124 -2.678 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.862 -1.093 -2.470 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.185 0.714 -1.340 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.530 -0.740 -1.994 1.00 0.00 C ATOM 0 H ILE A 24 -4.700 0.813 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.690 -0.495 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.201 0.880 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.327 -1.760 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.788 -1.644 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.298 0.983 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.791 1.604 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.768 -0.021 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.114 -1.652 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.014 -0.098 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.466 -0.215 -1.041 1.00 0.00 H new ATOM 322 N ASN A 25 -3.219 -2.671 -3.323 1.00 0.00 N ATOM 323 CA ASN A 25 -3.758 -3.924 -2.808 1.00 0.00 C ATOM 324 C ASN A 25 -3.319 -4.152 -1.364 1.00 0.00 C ATOM 325 O ASN A 25 -2.171 -3.911 -0.993 1.00 0.00 O ATOM 326 CB ASN A 25 -3.305 -5.096 -3.681 1.00 0.00 C ATOM 327 CG ASN A 25 -4.233 -6.291 -3.573 1.00 0.00 C ATOM 328 OD1 ASN A 25 -3.896 -7.298 -2.950 1.00 0.00 O ATOM 329 ND2 ASN A 25 -5.408 -6.183 -4.181 1.00 0.00 N ATOM 0 H ASN A 25 -2.496 -2.783 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.846 -3.860 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.254 -4.772 -4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.298 -5.394 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.075 -6.954 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.644 -5.329 -4.686 1.00 0.00 H new ATOM 336 N PRO A 26 -4.255 -4.629 -0.530 1.00 0.00 N ATOM 337 CA PRO A 26 -3.989 -4.902 0.886 1.00 0.00 C ATOM 338 C PRO A 26 -3.064 -6.098 1.082 1.00 0.00 C ATOM 339 O PRO A 26 -2.641 -6.392 2.199 1.00 0.00 O ATOM 340 CB PRO A 26 -5.377 -5.200 1.457 1.00 0.00 C ATOM 341 CG PRO A 26 -6.170 -5.684 0.292 1.00 0.00 C ATOM 342 CD PRO A 26 -5.645 -4.940 -0.904 1.00 0.00 C ATOM 0 HA PRO A 26 -3.483 -4.069 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.328 -5.953 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.824 -4.309 1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.056 -6.760 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.233 -5.491 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.691 -5.548 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.221 -4.035 -1.099 1.00 0.00 H new ATOM 350 N ASN A 27 -2.753 -6.786 -0.012 1.00 0.00 N ATOM 351 CA ASN A 27 -1.877 -7.951 0.040 1.00 0.00 C ATOM 352 C ASN A 27 -0.424 -7.550 -0.193 1.00 0.00 C ATOM 353 O ASN A 27 0.497 -8.200 0.302 1.00 0.00 O ATOM 354 CB ASN A 27 -2.307 -8.985 -1.003 1.00 0.00 C ATOM 355 CG ASN A 27 -1.802 -10.377 -0.679 1.00 0.00 C ATOM 356 OD1 ASN A 27 -0.866 -10.872 -1.308 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.421 -11.016 0.307 1.00 0.00 N ATOM 0 H ASN A 27 -3.095 -6.557 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.958 -8.392 1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.395 -9.002 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.935 -8.685 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.125 -11.956 0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.192 -10.567 0.801 1.00 0.00 H new ATOM 364 N SER A 28 -0.226 -6.475 -0.950 1.00 0.00 N ATOM 365 CA SER A 28 1.115 -5.989 -1.251 1.00 0.00 C ATOM 366 C SER A 28 1.789 -5.440 0.003 1.00 0.00 C ATOM 367 O SER A 28 1.151 -5.275 1.043 1.00 0.00 O ATOM 368 CB SER A 28 1.057 -4.905 -2.329 1.00 0.00 C ATOM 369 OG SER A 28 2.273 -4.841 -3.054 1.00 0.00 O ATOM 0 H SER A 28 -0.977 -5.925 -1.366 1.00 0.00 H new ATOM 0 HA SER A 28 1.704 -6.828 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.233 -5.111 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.854 -3.939 -1.867 1.00 0.00 H new ATOM 0 HG SER A 28 2.210 -4.142 -3.738 1.00 0.00 H new ATOM 375 N PHE A 29 3.084 -5.159 -0.104 1.00 0.00 N ATOM 376 CA PHE A 29 3.846 -4.629 1.021 1.00 0.00 C ATOM 377 C PHE A 29 3.538 -3.151 1.239 1.00 0.00 C ATOM 378 O PHE A 29 2.736 -2.560 0.514 1.00 0.00 O ATOM 379 CB PHE A 29 5.345 -4.820 0.783 1.00 0.00 C ATOM 380 CG PHE A 29 5.759 -6.260 0.687 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.323 -7.184 1.624 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.582 -6.692 -0.340 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.703 -8.510 1.539 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.965 -8.017 -0.431 1.00 0.00 C ATOM 385 CZ PHE A 29 6.524 -8.927 0.509 1.00 0.00 C ATOM 0 H PHE A 29 3.627 -5.289 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 29 3.554 -5.178 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.627 -4.307 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.897 -4.345 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.679 -6.864 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.929 -5.985 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.359 -9.219 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.608 -8.340 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.820 -9.963 0.439 1.00 0.00 H new ATOM 395 N ILE A 30 4.179 -2.560 2.241 1.00 0.00 N ATOM 396 CA ILE A 30 3.975 -1.151 2.554 1.00 0.00 C ATOM 397 C ILE A 30 4.782 -0.258 1.619 1.00 0.00 C ATOM 398 O ILE A 30 4.259 0.708 1.061 1.00 0.00 O ATOM 399 CB ILE A 30 4.364 -0.836 4.010 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.474 -1.616 4.980 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.262 0.659 4.274 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.025 -1.181 4.952 1.00 0.00 C ATOM 0 H ILE A 30 4.845 -3.035 2.851 1.00 0.00 H new ATOM 0 HA ILE A 30 2.913 -0.948 2.419 1.00 0.00 H new ATOM 0 HB ILE A 30 5.398 -1.144 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.531 -2.678 4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.861 -1.497 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.540 0.866 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.935 1.194 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.238 0.990 4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.453 -1.776 5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.956 -0.127 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.621 -1.326 3.950 1.00 0.00 H new ATOM 414 N LEU A 31 6.058 -0.586 1.450 1.00 0.00 N ATOM 415 CA LEU A 31 6.938 0.186 0.580 1.00 0.00 C ATOM 416 C LEU A 31 6.225 0.572 -0.712 1.00 0.00 C ATOM 417 O LEU A 31 6.333 1.705 -1.177 1.00 0.00 O ATOM 418 CB LEU A 31 8.201 -0.616 0.259 1.00 0.00 C ATOM 419 CG LEU A 31 9.305 0.139 -0.483 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.995 1.125 0.447 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.313 -0.835 -1.073 1.00 0.00 C ATOM 0 H LEU A 31 6.506 -1.382 1.904 1.00 0.00 H new ATOM 0 HA LEU A 31 7.218 1.099 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.613 -0.996 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.915 -1.482 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 31 8.850 0.699 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.777 1.653 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.266 1.843 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.437 0.586 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.091 -0.280 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.763 -1.423 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.809 -1.501 -1.773 1.00 0.00 H new ATOM 433 N GLY A 32 5.495 -0.380 -1.286 1.00 0.00 N ATOM 434 CA GLY A 32 4.773 -0.119 -2.517 1.00 0.00 C ATOM 435 C GLY A 32 3.931 1.140 -2.441 1.00 0.00 C ATOM 436 O GLY A 32 3.903 1.935 -3.381 1.00 0.00 O ATOM 0 H GLY A 32 5.391 -1.327 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.483 -0.028 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.130 -0.969 -2.744 1.00 0.00 H new ATOM 440 N LEU A 33 3.243 1.322 -1.320 1.00 0.00 N ATOM 441 CA LEU A 33 2.394 2.492 -1.124 1.00 0.00 C ATOM 442 C LEU A 33 3.221 3.774 -1.146 1.00 0.00 C ATOM 443 O LEU A 33 2.814 4.778 -1.730 1.00 0.00 O ATOM 444 CB LEU A 33 1.638 2.383 0.201 1.00 0.00 C ATOM 445 CG LEU A 33 0.887 3.637 0.651 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.164 4.027 -0.376 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.248 3.415 2.014 1.00 0.00 C ATOM 0 H LEU A 33 3.256 0.674 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 33 1.675 2.530 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.923 1.564 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.349 2.110 0.981 1.00 0.00 H new ATOM 0 HG LEU A 33 1.602 4.455 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.688 4.921 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.319 4.228 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.877 3.211 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.282 4.317 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.455 2.584 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.022 3.185 2.746 1.00 0.00 H new ATOM 459 N LYS A 34 4.386 3.731 -0.508 1.00 0.00 N ATOM 460 CA LYS A 34 5.273 4.887 -0.456 1.00 0.00 C ATOM 461 C LYS A 34 5.732 5.284 -1.856 1.00 0.00 C ATOM 462 O LYS A 34 5.574 6.433 -2.268 1.00 0.00 O ATOM 463 CB LYS A 34 6.488 4.584 0.423 1.00 0.00 C ATOM 464 CG LYS A 34 6.210 4.713 1.911 1.00 0.00 C ATOM 465 CD LYS A 34 5.746 3.395 2.508 1.00 0.00 C ATOM 466 CE LYS A 34 6.921 2.553 2.981 1.00 0.00 C ATOM 467 NZ LYS A 34 7.363 2.937 4.350 1.00 0.00 N ATOM 0 H LYS A 34 4.738 2.908 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 34 4.718 5.720 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.834 3.572 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.299 5.261 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.112 5.048 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.449 5.476 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.076 3.590 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.174 2.839 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.640 1.500 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.753 2.667 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.165 2.340 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.655 3.935 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.577 2.804 5.018 1.00 0.00 H new ATOM 481 N GLN A 35 6.299 4.325 -2.582 1.00 0.00 N ATOM 482 CA GLN A 35 6.779 4.576 -3.935 1.00 0.00 C ATOM 483 C GLN A 35 5.790 5.438 -4.713 1.00 0.00 C ATOM 484 O GLN A 35 6.183 6.366 -5.419 1.00 0.00 O ATOM 485 CB GLN A 35 7.010 3.254 -4.670 1.00 0.00 C ATOM 486 CG GLN A 35 7.441 3.430 -6.118 1.00 0.00 C ATOM 487 CD GLN A 35 8.410 4.581 -6.302 1.00 0.00 C ATOM 488 OE1 GLN A 35 8.121 5.543 -7.014 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.569 4.488 -5.661 1.00 0.00 N ATOM 0 H GLN A 35 6.437 3.368 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 35 7.724 5.114 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.771 2.681 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.092 2.667 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.906 2.509 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.560 3.599 -6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.767 3.673 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.261 5.232 -5.748 1.00 0.00 H new ATOM 498 N GLN A 36 4.505 5.123 -4.580 1.00 0.00 N ATOM 499 CA GLN A 36 3.460 5.868 -5.271 1.00 0.00 C ATOM 500 C GLN A 36 3.478 7.337 -4.862 1.00 0.00 C ATOM 501 O GLN A 36 3.223 8.222 -5.679 1.00 0.00 O ATOM 502 CB GLN A 36 2.089 5.259 -4.974 1.00 0.00 C ATOM 503 CG GLN A 36 1.809 3.982 -5.749 1.00 0.00 C ATOM 504 CD GLN A 36 0.334 3.781 -6.032 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.220 4.380 -6.955 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.313 2.936 -5.237 1.00 0.00 N ATOM 0 H GLN A 36 4.163 4.357 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 36 3.652 5.806 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.017 5.049 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.317 5.992 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.356 4.007 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.186 3.129 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.185 2.461 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.308 2.762 -5.379 1.00 0.00 H new ATOM 515 N ILE A 37 3.779 7.589 -3.592 1.00 0.00 N ATOM 516 CA ILE A 37 3.830 8.951 -3.075 1.00 0.00 C ATOM 517 C ILE A 37 5.005 9.720 -3.668 1.00 0.00 C ATOM 518 O ILE A 37 4.906 10.919 -3.928 1.00 0.00 O ATOM 519 CB ILE A 37 3.943 8.966 -1.539 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.604 8.587 -0.903 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.397 10.335 -1.055 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.668 8.450 0.602 1.00 0.00 C ATOM 0 H ILE A 37 3.991 6.868 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 37 2.898 9.435 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 37 4.688 8.230 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.862 9.343 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.261 7.645 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.472 10.330 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.371 10.568 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.673 11.089 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.684 8.180 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.386 7.674 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.981 9.398 1.041 1.00 0.00 H new ATOM 534 N GLU A 38 6.115 9.022 -3.882 1.00 0.00 N ATOM 535 CA GLU A 38 7.310 9.640 -4.446 1.00 0.00 C ATOM 536 C GLU A 38 7.103 9.978 -5.919 1.00 0.00 C ATOM 537 O GLU A 38 7.630 10.973 -6.419 1.00 0.00 O ATOM 538 CB GLU A 38 8.515 8.711 -4.289 1.00 0.00 C ATOM 539 CG GLU A 38 9.792 9.262 -4.900 1.00 0.00 C ATOM 540 CD GLU A 38 9.864 9.043 -6.399 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.199 8.109 -6.894 1.00 0.00 O ATOM 542 OE2 GLU A 38 10.583 9.806 -7.076 1.00 0.00 O ATOM 0 H GLU A 38 6.212 8.028 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 38 7.501 10.565 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.682 8.522 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.286 7.751 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.860 10.329 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.651 8.788 -4.426 1.00 0.00 H new ATOM 549 N ASP A 39 6.333 9.144 -6.609 1.00 0.00 N ATOM 550 CA ASP A 39 6.055 9.354 -8.025 1.00 0.00 C ATOM 551 C ASP A 39 5.023 10.461 -8.218 1.00 0.00 C ATOM 552 O ASP A 39 4.791 10.917 -9.338 1.00 0.00 O ATOM 553 CB ASP A 39 5.558 8.058 -8.667 1.00 0.00 C ATOM 554 CG ASP A 39 6.689 7.215 -9.221 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.694 7.798 -9.679 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.570 5.972 -9.197 1.00 0.00 O ATOM 0 H ASP A 39 5.890 8.316 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 39 6.982 9.658 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.005 7.478 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.861 8.298 -9.470 1.00 0.00 H new ATOM 561 N GLN A 40 4.406 10.886 -7.121 1.00 0.00 N ATOM 562 CA GLN A 40 3.397 11.937 -7.170 1.00 0.00 C ATOM 563 C GLN A 40 3.940 13.240 -6.593 1.00 0.00 C ATOM 564 O GLN A 40 3.971 14.265 -7.273 1.00 0.00 O ATOM 565 CB GLN A 40 2.145 11.509 -6.404 1.00 0.00 C ATOM 566 CG GLN A 40 1.439 10.308 -7.013 1.00 0.00 C ATOM 567 CD GLN A 40 0.406 10.703 -8.050 1.00 0.00 C ATOM 568 OE1 GLN A 40 0.654 11.566 -8.892 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.760 10.070 -7.995 1.00 0.00 N ATOM 0 H GLN A 40 4.587 10.519 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 40 3.135 12.105 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.421 11.275 -5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.449 12.347 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.178 9.652 -7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.954 9.737 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.922 9.361 -7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.493 10.293 -8.668 1.00 0.00 H new ATOM 578 N GLN A 41 4.366 13.192 -5.335 1.00 0.00 N ATOM 579 CA GLN A 41 4.907 14.370 -4.667 1.00 0.00 C ATOM 580 C GLN A 41 6.350 14.623 -5.092 1.00 0.00 C ATOM 581 O GLN A 41 6.837 15.751 -5.029 1.00 0.00 O ATOM 582 CB GLN A 41 4.832 14.200 -3.148 1.00 0.00 C ATOM 583 CG GLN A 41 3.423 13.960 -2.631 1.00 0.00 C ATOM 584 CD GLN A 41 3.289 14.246 -1.149 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.959 13.359 -0.361 1.00 0.00 O ATOM 586 NE2 GLN A 41 3.544 15.489 -0.760 1.00 0.00 N ATOM 0 H GLN A 41 4.347 12.351 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 41 4.306 15.231 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.466 13.364 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.238 15.092 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.725 14.590 -3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.140 12.925 -2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.814 16.193 -1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.470 15.740 0.226 1.00 0.00 H new ATOM 595 N GLY A 42 7.029 13.564 -5.523 1.00 0.00 N ATOM 596 CA GLY A 42 8.409 13.693 -5.952 1.00 0.00 C ATOM 597 C GLY A 42 9.391 13.461 -4.821 1.00 0.00 C ATOM 598 O GLY A 42 10.564 13.167 -5.057 1.00 0.00 O ATOM 0 H GLY A 42 6.648 12.620 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.606 12.980 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.566 14.689 -6.367 1.00 0.00 H new ATOM 602 N LEU A 43 8.914 13.595 -3.588 1.00 0.00 N ATOM 603 CA LEU A 43 9.758 13.400 -2.415 1.00 0.00 C ATOM 604 C LEU A 43 10.150 11.934 -2.263 1.00 0.00 C ATOM 605 O LEU A 43 9.346 11.026 -2.476 1.00 0.00 O ATOM 606 CB LEU A 43 9.035 13.880 -1.155 1.00 0.00 C ATOM 607 CG LEU A 43 9.917 14.482 -0.062 1.00 0.00 C ATOM 608 CD1 LEU A 43 9.151 15.536 0.722 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.433 13.393 0.867 1.00 0.00 C ATOM 0 H LEU A 43 7.947 13.838 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 43 10.666 13.987 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.294 14.624 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.490 13.037 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 43 10.773 14.963 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.795 15.953 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.832 16.331 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.276 15.080 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.059 13.840 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.590 12.883 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.020 12.675 0.295 1.00 0.00 H new ATOM 621 N PRO A 44 11.414 11.695 -1.884 1.00 0.00 N ATOM 622 CA PRO A 44 11.940 10.340 -1.693 1.00 0.00 C ATOM 623 C PRO A 44 11.340 9.653 -0.471 1.00 0.00 C ATOM 624 O PRO A 44 10.888 10.311 0.465 1.00 0.00 O ATOM 625 CB PRO A 44 13.441 10.567 -1.496 1.00 0.00 C ATOM 626 CG PRO A 44 13.548 11.958 -0.973 1.00 0.00 C ATOM 627 CD PRO A 44 12.427 12.729 -1.613 1.00 0.00 C ATOM 0 HA PRO A 44 11.700 9.687 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.862 9.847 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.985 10.454 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.462 11.974 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.515 12.395 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.043 13.504 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.751 13.224 -2.528 1.00 0.00 H new ATOM 635 N LYS A 45 11.340 8.324 -0.486 1.00 0.00 N ATOM 636 CA LYS A 45 10.798 7.546 0.621 1.00 0.00 C ATOM 637 C LYS A 45 11.661 7.701 1.869 1.00 0.00 C ATOM 638 O LYS A 45 11.154 7.970 2.958 1.00 0.00 O ATOM 639 CB LYS A 45 10.702 6.068 0.235 1.00 0.00 C ATOM 640 CG LYS A 45 10.052 5.835 -1.118 1.00 0.00 C ATOM 641 CD LYS A 45 10.474 4.503 -1.716 1.00 0.00 C ATOM 642 CE LYS A 45 11.814 4.610 -2.427 1.00 0.00 C ATOM 643 NZ LYS A 45 12.354 3.273 -2.798 1.00 0.00 N ATOM 0 H LYS A 45 11.710 7.763 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 45 9.799 7.923 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.703 5.637 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.133 5.538 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.968 5.860 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.324 6.643 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.538 3.753 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.714 4.162 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.701 5.218 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.527 5.123 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.268 3.389 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.486 2.701 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.686 2.793 -3.434 1.00 0.00 H new ATOM 657 N LYS A 46 12.968 7.530 1.704 1.00 0.00 N ATOM 658 CA LYS A 46 13.903 7.654 2.816 1.00 0.00 C ATOM 659 C LYS A 46 13.607 8.902 3.640 1.00 0.00 C ATOM 660 O LYS A 46 14.004 8.999 4.801 1.00 0.00 O ATOM 661 CB LYS A 46 15.342 7.702 2.297 1.00 0.00 C ATOM 662 CG LYS A 46 15.721 9.037 1.680 1.00 0.00 C ATOM 663 CD LYS A 46 16.974 8.921 0.827 1.00 0.00 C ATOM 664 CE LYS A 46 17.020 10.000 -0.245 1.00 0.00 C ATOM 665 NZ LYS A 46 17.628 11.261 0.263 1.00 0.00 N ATOM 0 H LYS A 46 13.404 7.305 0.810 1.00 0.00 H new ATOM 0 HA LYS A 46 13.783 6.780 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.024 7.485 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.478 6.916 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.896 9.404 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.884 9.771 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.856 9.000 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.006 7.938 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.593 9.639 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.010 10.202 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.641 11.971 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.067 11.620 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.601 11.074 0.579 1.00 0.00 H new ATOM 679 N GLN A 47 12.906 9.855 3.032 1.00 0.00 N ATOM 680 CA GLN A 47 12.557 11.097 3.711 1.00 0.00 C ATOM 681 C GLN A 47 11.126 11.045 4.237 1.00 0.00 C ATOM 682 O GLN A 47 10.842 11.523 5.335 1.00 0.00 O ATOM 683 CB GLN A 47 12.722 12.285 2.763 1.00 0.00 C ATOM 684 CG GLN A 47 14.159 12.762 2.630 1.00 0.00 C ATOM 685 CD GLN A 47 14.684 13.395 3.903 1.00 0.00 C ATOM 686 OE1 GLN A 47 13.915 13.893 4.726 1.00 0.00 O ATOM 687 NE2 GLN A 47 16.001 13.379 4.073 1.00 0.00 N ATOM 0 H GLN A 47 12.569 9.790 2.071 1.00 0.00 H new ATOM 0 HA GLN A 47 13.232 11.221 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.347 12.008 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.105 13.111 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.794 11.919 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.224 13.484 1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.601 12.956 3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.412 13.790 4.911 1.00 0.00 H new ATOM 696 N GLN A 48 10.231 10.464 3.446 1.00 0.00 N ATOM 697 CA GLN A 48 8.829 10.352 3.832 1.00 0.00 C ATOM 698 C GLN A 48 8.651 9.320 4.941 1.00 0.00 C ATOM 699 O GLN A 48 9.337 8.299 4.967 1.00 0.00 O ATOM 700 CB GLN A 48 7.974 9.970 2.623 1.00 0.00 C ATOM 701 CG GLN A 48 7.817 8.470 2.437 1.00 0.00 C ATOM 702 CD GLN A 48 7.257 8.105 1.076 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.305 7.332 0.970 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.848 8.662 0.025 1.00 0.00 N ATOM 0 H GLN A 48 10.451 10.063 2.534 1.00 0.00 H new ATOM 0 HA GLN A 48 8.503 11.322 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.987 10.419 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.421 10.394 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.786 7.988 2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.159 8.079 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.634 9.297 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.515 8.454 -0.917 1.00 0.00 H new ATOM 713 N GLN A 49 7.726 9.595 5.855 1.00 0.00 N ATOM 714 CA GLN A 49 7.459 8.690 6.967 1.00 0.00 C ATOM 715 C GLN A 49 5.965 8.621 7.266 1.00 0.00 C ATOM 716 O GLN A 49 5.343 9.627 7.613 1.00 0.00 O ATOM 717 CB GLN A 49 8.221 9.143 8.214 1.00 0.00 C ATOM 718 CG GLN A 49 7.908 8.316 9.451 1.00 0.00 C ATOM 719 CD GLN A 49 8.502 8.909 10.714 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.530 9.584 10.673 1.00 0.00 O ATOM 721 NE2 GLN A 49 7.855 8.658 11.847 1.00 0.00 N ATOM 0 H GLN A 49 7.149 10.436 5.848 1.00 0.00 H new ATOM 0 HA GLN A 49 7.800 7.694 6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.291 9.092 8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.984 10.188 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.827 8.235 9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.291 7.305 9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.006 8.093 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.208 9.030 12.729 1.00 0.00 H new ATOM 730 N LEU A 50 5.394 7.430 7.130 1.00 0.00 N ATOM 731 CA LEU A 50 3.972 7.229 7.386 1.00 0.00 C ATOM 732 C LEU A 50 3.755 6.458 8.684 1.00 0.00 C ATOM 733 O LEU A 50 4.412 5.448 8.933 1.00 0.00 O ATOM 734 CB LEU A 50 3.325 6.479 6.220 1.00 0.00 C ATOM 735 CG LEU A 50 3.546 7.079 4.831 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.526 5.990 3.770 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.493 8.136 4.533 1.00 0.00 C ATOM 0 H LEU A 50 5.894 6.588 6.844 1.00 0.00 H new ATOM 0 HA LEU A 50 3.504 8.209 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.704 5.457 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.252 6.421 6.402 1.00 0.00 H new ATOM 0 HG LEU A 50 4.526 7.556 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.685 6.436 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.318 5.269 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.561 5.483 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.666 8.552 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.502 7.683 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.555 8.931 5.276 1.00 0.00 H new ATOM 749 N GLU A 51 2.828 6.940 9.505 1.00 0.00 N ATOM 750 CA GLU A 51 2.525 6.294 10.777 1.00 0.00 C ATOM 751 C GLU A 51 1.055 5.887 10.843 1.00 0.00 C ATOM 752 O GLU A 51 0.204 6.484 10.185 1.00 0.00 O ATOM 753 CB GLU A 51 2.859 7.229 11.942 1.00 0.00 C ATOM 754 CG GLU A 51 4.295 7.111 12.423 1.00 0.00 C ATOM 755 CD GLU A 51 4.731 8.302 13.256 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.416 8.327 14.464 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.385 9.208 12.699 1.00 0.00 O ATOM 0 H GLU A 51 2.274 7.775 9.313 1.00 0.00 H new ATOM 0 HA GLU A 51 3.138 5.396 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.670 8.258 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.187 7.015 12.773 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.403 6.201 13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.956 7.013 11.562 1.00 0.00 H new ATOM 764 N PHE A 52 0.766 4.865 11.642 1.00 0.00 N ATOM 765 CA PHE A 52 -0.599 4.376 11.794 1.00 0.00 C ATOM 766 C PHE A 52 -0.878 3.984 13.242 1.00 0.00 C ATOM 767 O PHE A 52 -0.115 3.235 13.851 1.00 0.00 O ATOM 768 CB PHE A 52 -0.839 3.177 10.874 1.00 0.00 C ATOM 769 CG PHE A 52 -2.280 2.765 10.790 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.154 3.422 9.938 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.763 1.720 11.562 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.481 3.046 9.859 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.089 1.339 11.486 1.00 0.00 C ATOM 774 CZ PHE A 52 -4.949 2.002 10.633 1.00 0.00 C ATOM 0 H PHE A 52 1.459 4.360 12.194 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.280 5.181 11.516 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.480 3.419 9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.248 2.333 11.229 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.793 4.238 9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.095 1.197 12.231 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.152 3.568 9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.453 0.523 12.093 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.985 1.705 10.571 1.00 0.00 H new ATOM 784 N GLN A 53 -1.977 4.498 13.786 1.00 0.00 N ATOM 785 CA GLN A 53 -2.357 4.203 15.163 1.00 0.00 C ATOM 786 C GLN A 53 -1.181 4.418 16.110 1.00 0.00 C ATOM 787 O GLN A 53 -1.080 3.767 17.148 1.00 0.00 O ATOM 788 CB GLN A 53 -2.863 2.764 15.277 1.00 0.00 C ATOM 789 CG GLN A 53 -4.345 2.614 14.971 1.00 0.00 C ATOM 790 CD GLN A 53 -4.810 1.173 15.028 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.499 0.694 14.127 1.00 0.00 O ATOM 792 NE2 GLN A 53 -4.433 0.471 16.091 1.00 0.00 N ATOM 0 H GLN A 53 -2.619 5.120 13.295 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.158 4.886 15.447 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.294 2.132 14.595 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.670 2.399 16.286 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.921 3.206 15.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.550 3.019 13.980 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.862 0.908 16.814 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.715 -0.505 16.184 1.00 0.00 H new ATOM 801 N GLY A 54 -0.292 5.336 15.743 1.00 0.00 N ATOM 802 CA GLY A 54 0.866 5.620 16.571 1.00 0.00 C ATOM 803 C GLY A 54 1.950 4.570 16.430 1.00 0.00 C ATOM 804 O GLY A 54 2.621 4.228 17.403 1.00 0.00 O ATOM 0 H GLY A 54 -0.353 5.888 14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.272 6.595 16.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.557 5.681 17.614 1.00 0.00 H new ATOM 808 N GLN A 55 2.121 4.058 15.216 1.00 0.00 N ATOM 809 CA GLN A 55 3.131 3.039 14.952 1.00 0.00 C ATOM 810 C GLN A 55 3.803 3.274 13.604 1.00 0.00 C ATOM 811 O GLN A 55 3.154 3.669 12.635 1.00 0.00 O ATOM 812 CB GLN A 55 2.500 1.646 14.984 1.00 0.00 C ATOM 813 CG GLN A 55 1.968 1.188 13.636 1.00 0.00 C ATOM 814 CD GLN A 55 0.797 0.233 13.765 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.493 -0.251 14.855 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.134 -0.045 12.648 1.00 0.00 N ATOM 0 H GLN A 55 1.574 4.331 14.400 1.00 0.00 H new ATOM 0 HA GLN A 55 3.890 3.105 15.732 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.241 0.928 15.335 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.685 1.642 15.707 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.660 2.058 13.056 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.769 0.702 13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.421 0.379 11.766 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.662 -0.683 12.673 1.00 0.00 H new ATOM 825 N VAL A 56 5.109 3.031 13.549 1.00 0.00 N ATOM 826 CA VAL A 56 5.870 3.216 12.319 1.00 0.00 C ATOM 827 C VAL A 56 5.711 2.018 11.389 1.00 0.00 C ATOM 828 O VAL A 56 5.912 0.872 11.795 1.00 0.00 O ATOM 829 CB VAL A 56 7.367 3.429 12.612 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.091 3.915 11.366 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.550 4.409 13.761 1.00 0.00 C ATOM 0 H VAL A 56 5.662 2.706 14.342 1.00 0.00 H new ATOM 0 HA VAL A 56 5.472 4.106 11.832 1.00 0.00 H new ATOM 0 HB VAL A 56 7.802 2.474 12.906 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.147 4.060 11.592 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.988 3.174 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.657 4.860 11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.614 4.548 13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.101 5.367 13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.067 4.016 14.655 1.00 0.00 H new ATOM 841 N LEU A 57 5.350 2.290 10.140 1.00 0.00 N ATOM 842 CA LEU A 57 5.165 1.234 9.150 1.00 0.00 C ATOM 843 C LEU A 57 6.493 0.853 8.505 1.00 0.00 C ATOM 844 O LEU A 57 7.306 1.718 8.180 1.00 0.00 O ATOM 845 CB LEU A 57 4.173 1.684 8.076 1.00 0.00 C ATOM 846 CG LEU A 57 2.946 2.449 8.573 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.008 2.762 7.418 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.222 1.654 9.650 1.00 0.00 C ATOM 0 H LEU A 57 5.180 3.232 9.788 1.00 0.00 H new ATOM 0 HA LEU A 57 4.766 0.357 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.703 2.313 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.831 0.803 7.533 1.00 0.00 H new ATOM 0 HG LEU A 57 3.281 3.391 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.141 3.307 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.530 3.372 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.680 1.832 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.351 2.214 9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.900 0.696 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.895 1.482 10.490 1.00 0.00 H new ATOM 860 N GLN A 58 6.705 -0.446 8.321 1.00 0.00 N ATOM 861 CA GLN A 58 7.935 -0.940 7.713 1.00 0.00 C ATOM 862 C GLN A 58 7.683 -1.414 6.285 1.00 0.00 C ATOM 863 O GLN A 58 6.561 -1.773 5.928 1.00 0.00 O ATOM 864 CB GLN A 58 8.517 -2.083 8.547 1.00 0.00 C ATOM 865 CG GLN A 58 8.520 -1.805 10.041 1.00 0.00 C ATOM 866 CD GLN A 58 9.446 -0.666 10.421 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.625 -0.664 10.065 1.00 0.00 O ATOM 868 NE2 GLN A 58 8.916 0.310 11.148 1.00 0.00 N ATOM 0 H GLN A 58 6.042 -1.175 8.584 1.00 0.00 H new ATOM 0 HA GLN A 58 8.652 -0.119 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.943 -2.990 8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.538 -2.277 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.507 -1.568 10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.822 -2.707 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.934 0.267 11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.491 1.103 11.434 1.00 0.00 H new ATOM 877 N ASP A 59 8.734 -1.411 5.473 1.00 0.00 N ATOM 878 CA ASP A 59 8.628 -1.840 4.083 1.00 0.00 C ATOM 879 C ASP A 59 8.279 -3.323 3.998 1.00 0.00 C ATOM 880 O ASP A 59 7.211 -3.692 3.510 1.00 0.00 O ATOM 881 CB ASP A 59 9.938 -1.569 3.342 1.00 0.00 C ATOM 882 CG ASP A 59 10.181 -2.555 2.216 1.00 0.00 C ATOM 883 OD1 ASP A 59 9.192 -3.046 1.634 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.361 -2.838 1.919 1.00 0.00 O ATOM 0 H ASP A 59 9.669 -1.116 5.753 1.00 0.00 H new ATOM 0 HA ASP A 59 7.828 -1.269 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.921 -0.557 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.768 -1.616 4.048 1.00 0.00 H new ATOM 889 N TRP A 60 9.186 -4.167 4.476 1.00 0.00 N ATOM 890 CA TRP A 60 8.974 -5.610 4.453 1.00 0.00 C ATOM 891 C TRP A 60 7.568 -5.961 4.926 1.00 0.00 C ATOM 892 O TRP A 60 7.004 -6.982 4.528 1.00 0.00 O ATOM 893 CB TRP A 60 10.011 -6.313 5.330 1.00 0.00 C ATOM 894 CG TRP A 60 9.569 -6.484 6.752 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.721 -7.438 7.238 1.00 0.00 C ATOM 896 CD2 TRP A 60 9.950 -5.676 7.871 1.00 0.00 C ATOM 897 NE1 TRP A 60 8.552 -7.272 8.591 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.297 -6.199 9.004 1.00 0.00 C ATOM 899 CE3 TRP A 60 10.782 -4.564 8.027 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.450 -5.646 10.273 1.00 0.00 C ATOM 901 CZ3 TRP A 60 10.933 -4.016 9.286 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.270 -4.557 10.396 1.00 0.00 C ATOM 0 H TRP A 60 10.075 -3.878 4.884 1.00 0.00 H new ATOM 0 HA TRP A 60 9.087 -5.952 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.231 -7.292 4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.939 -5.742 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.252 -8.210 6.645 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.967 -7.853 9.191 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.298 -4.140 7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.940 -6.062 11.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.573 -3.156 9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.409 -4.106 11.367 1.00 0.00 H new ATOM 913 N LEU A 61 7.005 -5.111 5.778 1.00 0.00 N ATOM 914 CA LEU A 61 5.663 -5.332 6.305 1.00 0.00 C ATOM 915 C LEU A 61 4.605 -5.001 5.258 1.00 0.00 C ATOM 916 O LEU A 61 4.885 -4.323 4.270 1.00 0.00 O ATOM 917 CB LEU A 61 5.440 -4.482 7.558 1.00 0.00 C ATOM 918 CG LEU A 61 6.284 -4.851 8.778 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.168 -3.780 9.851 1.00 0.00 C ATOM 920 CD2 LEU A 61 5.864 -6.207 9.327 1.00 0.00 C ATOM 0 H LEU A 61 7.457 -4.262 6.119 1.00 0.00 H new ATOM 0 HA LEU A 61 5.571 -6.386 6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.638 -3.440 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.388 -4.549 7.835 1.00 0.00 H new ATOM 0 HG LEU A 61 7.327 -4.914 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.775 -4.060 10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.519 -2.827 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.127 -3.684 10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.475 -6.453 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.815 -6.172 9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.001 -6.969 8.559 1.00 0.00 H new ATOM 932 N GLY A 62 3.386 -5.483 5.482 1.00 0.00 N ATOM 933 CA GLY A 62 2.304 -5.227 4.550 1.00 0.00 C ATOM 934 C GLY A 62 1.177 -4.428 5.175 1.00 0.00 C ATOM 935 O GLY A 62 1.067 -4.349 6.400 1.00 0.00 O ATOM 0 H GLY A 62 3.129 -6.046 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.693 -4.687 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.913 -6.176 4.183 1.00 0.00 H new ATOM 939 N LEU A 63 0.339 -3.832 4.334 1.00 0.00 N ATOM 940 CA LEU A 63 -0.785 -3.033 4.811 1.00 0.00 C ATOM 941 C LEU A 63 -1.682 -3.852 5.734 1.00 0.00 C ATOM 942 O LEU A 63 -2.195 -3.344 6.730 1.00 0.00 O ATOM 943 CB LEU A 63 -1.597 -2.503 3.629 1.00 0.00 C ATOM 944 CG LEU A 63 -0.996 -1.312 2.882 1.00 0.00 C ATOM 945 CD1 LEU A 63 0.012 -1.785 1.847 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.093 -0.487 2.223 1.00 0.00 C ATOM 0 H LEU A 63 0.416 -3.887 3.318 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.387 -2.190 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.740 -3.317 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.585 -2.218 3.991 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.477 -0.680 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.429 -0.924 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.814 -2.332 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.483 -2.439 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.647 0.356 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.640 -1.109 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.778 -0.117 2.986 1.00 0.00 H new ATOM 958 N GLY A 64 -1.866 -5.125 5.395 1.00 0.00 N ATOM 959 CA GLY A 64 -2.700 -5.994 6.204 1.00 0.00 C ATOM 960 C GLY A 64 -2.016 -6.425 7.487 1.00 0.00 C ATOM 961 O GLY A 64 -2.654 -6.523 8.535 1.00 0.00 O ATOM 0 H GLY A 64 -1.452 -5.569 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.629 -5.478 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.968 -6.877 5.625 1.00 0.00 H new ATOM 965 N ILE A 65 -0.716 -6.685 7.403 1.00 0.00 N ATOM 966 CA ILE A 65 0.054 -7.109 8.566 1.00 0.00 C ATOM 967 C ILE A 65 -0.248 -6.230 9.775 1.00 0.00 C ATOM 968 O ILE A 65 -0.387 -6.723 10.895 1.00 0.00 O ATOM 969 CB ILE A 65 1.568 -7.071 8.283 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.914 -7.997 7.115 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.349 -7.464 9.528 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.771 -9.466 7.447 1.00 0.00 C ATOM 0 H ILE A 65 -0.174 -6.610 6.542 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.241 -8.136 8.783 1.00 0.00 H new ATOM 0 HB ILE A 65 1.847 -6.053 8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.268 -7.759 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.939 -7.802 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.417 -7.433 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.121 -6.768 10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.069 -8.473 9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.032 -10.064 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.437 -9.719 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.741 -9.675 7.735 1.00 0.00 H new ATOM 984 N TYR A 66 -0.349 -4.926 9.541 1.00 0.00 N ATOM 985 CA TYR A 66 -0.635 -3.978 10.611 1.00 0.00 C ATOM 986 C TYR A 66 -2.125 -3.957 10.938 1.00 0.00 C ATOM 987 O TYR A 66 -2.518 -4.024 12.102 1.00 0.00 O ATOM 988 CB TYR A 66 -0.168 -2.576 10.216 1.00 0.00 C ATOM 989 CG TYR A 66 1.301 -2.330 10.479 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.767 -2.100 11.768 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.222 -2.328 9.439 1.00 0.00 C ATOM 992 CE1 TYR A 66 3.108 -1.874 12.012 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.565 -2.105 9.675 1.00 0.00 C ATOM 994 CZ TYR A 66 4.002 -1.877 10.963 1.00 0.00 C ATOM 995 OH TYR A 66 5.339 -1.654 11.203 1.00 0.00 O ATOM 0 H TYR A 66 -0.237 -4.502 8.620 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.092 -4.298 11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.370 -2.420 9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.755 -1.839 10.764 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.069 -2.098 12.592 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.883 -2.504 8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.454 -1.696 13.019 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.268 -2.109 8.856 1.00 0.00 H new ATOM 0 HH TYR A 66 5.460 -0.752 11.567 1.00 0.00 H new ATOM 1005 N GLY A 67 -2.950 -3.863 9.900 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.388 -3.836 10.095 1.00 0.00 C ATOM 1007 C GLY A 67 -5.044 -2.655 9.407 1.00 0.00 C ATOM 1008 O GLY A 67 -6.194 -2.322 9.695 1.00 0.00 O ATOM 0 H GLY A 67 -2.648 -3.805 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.821 -4.761 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.606 -3.798 11.162 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.312 -2.021 8.498 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.830 -0.871 7.768 1.00 0.00 C ATOM 1014 C ILE A 68 -6.090 -1.235 6.990 1.00 0.00 C ATOM 1015 O ILE A 68 -6.175 -2.309 6.395 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.783 -0.306 6.790 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.492 0.040 7.535 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.332 0.919 6.075 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.272 0.084 6.642 1.00 0.00 C ATOM 0 H ILE A 68 -3.358 -2.284 8.249 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.071 -0.110 8.510 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.557 -1.067 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.611 1.008 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.329 -0.695 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.580 1.306 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.227 0.644 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.583 1.686 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.394 0.335 7.237 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.127 -0.890 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.414 0.839 5.869 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.066 -0.333 6.998 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.322 -0.559 6.292 1.00 0.00 C ATOM 1033 C GLN A 69 -8.525 0.481 5.196 1.00 0.00 C ATOM 1034 O GLN A 69 -7.763 1.442 5.089 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.496 -0.522 7.272 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.646 0.809 7.990 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.364 0.678 9.319 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -9.741 0.440 10.354 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.683 0.832 9.297 1.00 0.00 N ATOM 0 H GLN A 69 -7.011 0.561 7.486 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.277 -1.544 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.417 -0.740 6.731 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.366 -1.312 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.659 1.241 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.194 1.502 7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.159 1.028 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.220 0.754 10.161 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.557 0.282 4.383 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.861 1.204 3.294 1.00 0.00 C ATOM 1050 C ASP A 70 -10.400 2.524 3.835 1.00 0.00 C ATOM 1051 O ASP A 70 -10.821 2.609 4.989 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.876 0.578 2.337 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.183 0.231 3.023 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.138 -0.246 4.176 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.250 0.437 2.408 1.00 0.00 O ATOM 0 H ASP A 70 -10.197 -0.509 4.457 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.937 1.405 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.072 1.269 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.449 -0.324 1.898 1.00 0.00 H new ATOM 1060 N SER A 71 -10.383 3.553 2.994 1.00 0.00 N ATOM 1061 CA SER A 71 -10.866 4.872 3.389 1.00 0.00 C ATOM 1062 C SER A 71 -10.276 5.285 4.734 1.00 0.00 C ATOM 1063 O SER A 71 -10.979 5.814 5.596 1.00 0.00 O ATOM 1064 CB SER A 71 -12.394 4.877 3.466 1.00 0.00 C ATOM 1065 OG SER A 71 -12.963 4.207 2.354 1.00 0.00 O ATOM 0 H SER A 71 -10.040 3.499 2.035 1.00 0.00 H new ATOM 0 HA SER A 71 -10.545 5.591 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.716 4.395 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.756 5.905 3.500 1.00 0.00 H new ATOM 0 HG SER A 71 -13.940 4.223 2.428 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.982 5.042 4.905 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.295 5.389 6.144 1.00 0.00 C ATOM 1073 C ASP A 72 -7.474 6.663 5.971 1.00 0.00 C ATOM 1074 O ASP A 72 -7.239 7.117 4.850 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.390 4.240 6.590 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.092 4.281 8.076 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.464 5.261 8.528 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.486 3.333 8.787 1.00 0.00 O ATOM 0 H ASP A 72 -8.387 4.606 4.201 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.049 5.565 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.865 3.290 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.454 4.282 6.033 1.00 0.00 H new ATOM 1083 N THR A 73 -7.040 7.238 7.088 1.00 0.00 N ATOM 1084 CA THR A 73 -6.247 8.460 7.061 1.00 0.00 C ATOM 1085 C THR A 73 -4.813 8.196 7.506 1.00 0.00 C ATOM 1086 O THR A 73 -4.566 7.840 8.659 1.00 0.00 O ATOM 1087 CB THR A 73 -6.860 9.548 7.963 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.201 9.830 7.547 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.030 10.822 7.915 1.00 0.00 C ATOM 0 H THR A 73 -7.225 6.876 8.024 1.00 0.00 H new ATOM 0 HA THR A 73 -6.245 8.812 6.029 1.00 0.00 H new ATOM 0 HB THR A 73 -6.868 9.177 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.585 10.521 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.482 11.576 8.560 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.018 10.610 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.994 11.195 6.891 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.871 8.372 6.587 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.460 8.153 6.885 1.00 0.00 C ATOM 1099 C LEU A 74 -1.726 9.480 7.053 1.00 0.00 C ATOM 1100 O LEU A 74 -1.922 10.412 6.272 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.804 7.332 5.774 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.359 5.923 5.563 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.980 5.400 4.187 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.856 4.984 6.650 1.00 0.00 C ATOM 0 H LEU A 74 -4.058 8.666 5.628 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.395 7.601 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.900 7.882 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.738 7.253 5.989 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.446 5.969 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.384 4.396 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.390 6.059 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.894 5.369 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.261 3.986 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.767 4.944 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.179 5.349 7.625 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.881 9.558 8.075 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.115 10.769 8.342 1.00 0.00 C ATOM 1118 C ILE A 75 1.230 10.740 7.625 1.00 0.00 C ATOM 1119 O ILE A 75 1.969 9.758 7.708 1.00 0.00 O ATOM 1120 CB ILE A 75 0.125 10.961 9.852 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.209 11.028 10.598 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.941 12.220 10.102 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.124 12.128 10.104 1.00 0.00 C ATOM 0 H ILE A 75 -0.709 8.797 8.732 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.705 11.605 7.966 1.00 0.00 H new ATOM 0 HB ILE A 75 0.687 10.106 10.227 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.720 10.070 10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.015 11.178 11.660 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.102 12.342 11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.903 12.136 9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.403 13.085 9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.050 12.116 10.678 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.633 13.093 10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.349 11.968 9.049 1.00 0.00 H new ATOM 1135 N LEU A 76 1.542 11.822 6.921 1.00 0.00 N ATOM 1136 CA LEU A 76 2.800 11.922 6.189 1.00 0.00 C ATOM 1137 C LEU A 76 3.626 13.105 6.685 1.00 0.00 C ATOM 1138 O LEU A 76 3.128 14.227 6.778 1.00 0.00 O ATOM 1139 CB LEU A 76 2.531 12.066 4.690 1.00 0.00 C ATOM 1140 CG LEU A 76 3.705 12.557 3.842 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.534 11.382 3.347 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.205 13.390 2.671 1.00 0.00 C ATOM 0 H LEU A 76 0.941 12.643 6.841 1.00 0.00 H new ATOM 0 HA LEU A 76 3.367 11.008 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.210 11.099 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.698 12.756 4.555 1.00 0.00 H new ATOM 0 HG LEU A 76 4.340 13.187 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.365 11.751 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.922 10.826 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.910 10.726 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.054 13.731 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.548 12.784 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.655 14.253 3.047 1.00 0.00 H new ATOM 1154 N SER A 77 4.891 12.846 7.000 1.00 0.00 N ATOM 1155 CA SER A 77 5.786 13.888 7.488 1.00 0.00 C ATOM 1156 C SER A 77 7.213 13.649 7.004 1.00 0.00 C ATOM 1157 O SER A 77 7.688 12.514 6.968 1.00 0.00 O ATOM 1158 CB SER A 77 5.756 13.941 9.017 1.00 0.00 C ATOM 1159 OG SER A 77 4.496 14.387 9.487 1.00 0.00 O ATOM 0 H SER A 77 5.319 11.923 6.926 1.00 0.00 H new ATOM 0 HA SER A 77 5.442 14.843 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.970 12.952 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.539 14.609 9.376 1.00 0.00 H new ATOM 0 HG SER A 77 4.502 14.411 10.467 1.00 0.00 H new ATOM 1165 N LYS A 78 7.893 14.728 6.632 1.00 0.00 N ATOM 1166 CA LYS A 78 9.267 14.640 6.151 1.00 0.00 C ATOM 1167 C LYS A 78 10.220 14.283 7.288 1.00 0.00 C ATOM 1168 O LYS A 78 10.065 14.757 8.413 1.00 0.00 O ATOM 1169 CB LYS A 78 9.692 15.963 5.511 1.00 0.00 C ATOM 1170 CG LYS A 78 9.201 16.134 4.084 1.00 0.00 C ATOM 1171 CD LYS A 78 7.772 16.647 4.043 1.00 0.00 C ATOM 1172 CE LYS A 78 7.034 16.145 2.812 1.00 0.00 C ATOM 1173 NZ LYS A 78 5.560 16.310 2.943 1.00 0.00 N ATOM 0 H LYS A 78 7.515 15.675 6.654 1.00 0.00 H new ATOM 0 HA LYS A 78 9.312 13.850 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.316 16.787 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.780 16.029 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.853 16.829 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.261 15.180 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.244 16.327 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.775 17.737 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.383 16.687 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.269 15.093 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.108 16.133 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.196 15.633 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.345 17.279 3.254 1.00 0.00 H new ATOM 1187 N LYS A 79 11.207 13.446 6.986 1.00 0.00 N ATOM 1188 CA LYS A 79 12.187 13.028 7.981 1.00 0.00 C ATOM 1189 C LYS A 79 12.998 14.220 8.480 1.00 0.00 C ATOM 1190 O LYS A 79 13.420 15.069 7.695 1.00 0.00 O ATOM 1191 CB LYS A 79 13.124 11.971 7.392 1.00 0.00 C ATOM 1192 CG LYS A 79 12.522 10.577 7.356 1.00 0.00 C ATOM 1193 CD LYS A 79 12.839 9.801 8.623 1.00 0.00 C ATOM 1194 CE LYS A 79 12.261 8.394 8.574 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.060 7.438 9.389 1.00 0.00 N ATOM 0 H LYS A 79 11.349 13.044 6.060 1.00 0.00 H new ATOM 0 HA LYS A 79 11.649 12.597 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.399 12.265 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.043 11.946 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.441 10.649 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.906 10.036 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.919 9.747 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.436 10.331 9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.233 8.411 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.228 8.051 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.634 6.491 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.034 7.403 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.070 7.751 10.381 1.00 0.00 H new ATOM 1209 N LYS A 80 13.214 14.276 9.790 1.00 0.00 N ATOM 1210 CA LYS A 80 13.977 15.362 10.394 1.00 0.00 C ATOM 1211 C LYS A 80 15.098 15.821 9.467 1.00 0.00 C ATOM 1212 O LYS A 80 15.173 16.993 9.101 1.00 0.00 O ATOM 1213 CB LYS A 80 14.561 14.917 11.737 1.00 0.00 C ATOM 1214 CG LYS A 80 15.252 16.034 12.500 1.00 0.00 C ATOM 1215 CD LYS A 80 16.219 15.485 13.536 1.00 0.00 C ATOM 1216 CE LYS A 80 15.503 15.118 14.826 1.00 0.00 C ATOM 1217 NZ LYS A 80 16.454 14.668 15.880 1.00 0.00 N ATOM 0 H LYS A 80 12.871 13.582 10.454 1.00 0.00 H new ATOM 0 HA LYS A 80 13.300 16.200 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.761 14.508 12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.274 14.111 11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.790 16.674 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.505 16.657 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.723 14.605 13.135 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.990 16.227 13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.942 15.980 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.780 14.327 14.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.927 14.427 16.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.972 13.830 15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.128 15.432 16.088 1.00 0.00 H new ATOM 1231 N GLY A 81 15.967 14.888 9.090 1.00 0.00 N ATOM 1232 CA GLY A 81 17.072 15.216 8.208 1.00 0.00 C ATOM 1233 C GLY A 81 18.158 14.159 8.220 1.00 0.00 C ATOM 1234 O GLY A 81 19.231 14.369 8.785 1.00 0.00 O ATOM 0 H GLY A 81 15.925 13.911 9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.698 15.336 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.498 16.174 8.506 1.00 0.00 H new ATOM 1238 N SER A 82 17.879 13.019 7.597 1.00 0.00 N ATOM 1239 CA SER A 82 18.839 11.922 7.544 1.00 0.00 C ATOM 1240 C SER A 82 20.236 12.439 7.218 1.00 0.00 C ATOM 1241 O SER A 82 20.414 13.253 6.312 1.00 0.00 O ATOM 1242 CB SER A 82 18.408 10.890 6.500 1.00 0.00 C ATOM 1243 OG SER A 82 19.205 9.721 6.580 1.00 0.00 O ATOM 0 H SER A 82 16.996 12.830 7.122 1.00 0.00 H new ATOM 0 HA SER A 82 18.866 11.447 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.360 10.631 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.489 11.322 5.502 1.00 0.00 H new ATOM 0 HG SER A 82 18.909 9.076 5.904 1.00 0.00 H new ATOM 1249 N GLY A 83 21.227 11.960 7.964 1.00 0.00 N ATOM 1250 CA GLY A 83 22.597 12.384 7.740 1.00 0.00 C ATOM 1251 C GLY A 83 23.219 11.720 6.528 1.00 0.00 C ATOM 1252 O GLY A 83 22.928 10.567 6.207 1.00 0.00 O ATOM 0 H GLY A 83 21.105 11.286 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.623 13.466 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.194 12.154 8.623 1.00 0.00 H new ATOM 1256 N PRO A 84 24.096 12.457 5.829 1.00 0.00 N ATOM 1257 CA PRO A 84 24.777 11.953 4.633 1.00 0.00 C ATOM 1258 C PRO A 84 25.799 10.870 4.962 1.00 0.00 C ATOM 1259 O PRO A 84 26.395 10.273 4.065 1.00 0.00 O ATOM 1260 CB PRO A 84 25.475 13.195 4.074 1.00 0.00 C ATOM 1261 CG PRO A 84 25.667 14.086 5.252 1.00 0.00 C ATOM 1262 CD PRO A 84 24.489 13.838 6.154 1.00 0.00 C ATOM 0 HA PRO A 84 24.083 11.486 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.429 12.939 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 84 24.869 13.678 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 84 26.604 13.862 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 84 25.712 15.132 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 84 24.759 13.942 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.680 14.542 5.961 1.00 0.00 H new ATOM 1270 N SER A 85 25.997 10.621 6.252 1.00 0.00 N ATOM 1271 CA SER A 85 26.950 9.612 6.699 1.00 0.00 C ATOM 1272 C SER A 85 26.928 8.397 5.775 1.00 0.00 C ATOM 1273 O SER A 85 25.882 7.784 5.563 1.00 0.00 O ATOM 1274 CB SER A 85 26.635 9.181 8.133 1.00 0.00 C ATOM 1275 OG SER A 85 25.289 8.754 8.253 1.00 0.00 O ATOM 0 H SER A 85 25.510 11.104 7.007 1.00 0.00 H new ATOM 0 HA SER A 85 27.947 10.052 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 85 27.304 8.373 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.818 10.012 8.814 1.00 0.00 H new ATOM 0 HG SER A 85 25.041 8.229 7.464 1.00 0.00 H new ATOM 1281 N SER A 86 28.090 8.057 5.228 1.00 0.00 N ATOM 1282 CA SER A 86 28.206 6.919 4.324 1.00 0.00 C ATOM 1283 C SER A 86 27.690 5.645 4.986 1.00 0.00 C ATOM 1284 O SER A 86 27.216 5.669 6.121 1.00 0.00 O ATOM 1285 CB SER A 86 29.661 6.730 3.891 1.00 0.00 C ATOM 1286 OG SER A 86 30.411 6.074 4.898 1.00 0.00 O ATOM 0 H SER A 86 28.965 8.554 5.395 1.00 0.00 H new ATOM 0 HA SER A 86 27.597 7.122 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.697 6.149 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 86 30.108 7.700 3.674 1.00 0.00 H new ATOM 0 HG SER A 86 31.337 5.963 4.597 1.00 0.00 H new ATOM 1292 N GLY A 87 27.787 4.531 4.267 1.00 0.00 N ATOM 1293 CA GLY A 87 27.327 3.261 4.799 1.00 0.00 C ATOM 1294 C GLY A 87 25.852 3.280 5.148 1.00 0.00 C ATOM 1295 O GLY A 87 25.156 4.258 4.878 1.00 0.00 O ATOM 0 H GLY A 87 28.176 4.485 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 87 27.514 2.475 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 87 27.905 3.013 5.689 1.00 0.00 H new TER 1299 GLY A 87