USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 104 THR OG1 : rot 160:sc= -1.16 USER MOD Set 1.2: A 105 ASN : amide:sc= -1.25! X(o=-2.4!,f=-2.2) USER MOD Set 2.1: A 71 ASN : amide:sc= -2.2! K(o=-0.048!,f=1.4) USER MOD Set 2.2: A 74 THR OG1 : rot -161:sc= 2.15 USER MOD Set 3.1: A 46 TYR OH : rot 153:sc= 1.1 USER MOD Set 3.2: A 79 THR OG1 : rot 170:sc= 0.124 USER MOD Set 4.1: A 2 GLN : amide:sc= -2.94! K(o=-8.2!,f=-3.9) USER MOD Set 4.2: A 4 ASN : amide:sc= -3.29! C(o=-8.2!,f=-7.1!) USER MOD Set 4.3: A 119 GLN : amide:sc= -2.02 K(o=-8.2,f=-3.9) USER MOD Single : A 1 GLU N :NH3+ 151:sc= 0.798 (180deg=-0.624) USER MOD Single : A 9 THR OG1 : rot 11:sc= 0.724! USER MOD Single : A 10 TYR OH : rot 70:sc= -1.38! USER MOD Single : A 11 HIS : no HD1:sc= -7.01! C(o=-7!,f=-18!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.755 USER MOD Single : A 17 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.85) USER MOD Single : A 18 ASN : amide:sc= -0.669 K(o=-0.67,f=-0.056) USER MOD Single : A 19 ASN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 28 SER OG : rot 58:sc= 0.315 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -87:sc= 0.636 USER MOD Single : A 38 LYS NZ :NH3+ -129:sc= -0.156 (180deg=-1.16) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 1:sc= 0.518 USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 0.373 (180deg=-0.306) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 60 GLN : amide:sc= -0.65 K(o=-0.65,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 77 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 85 GLN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.953 K(o=-0.95,f=-3.2!) USER MOD Single : A 97 THR OG1 : rot -127:sc= -0.378! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= -0.652 (180deg=-0.658) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.056) USER MOD Single : A 113 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-6.1!) USER MOD Single : A 115 ASN : amide:sc= 0.0337 K(o=0.034,f=-2.2) USER MOD Single : A 117 ASN : amide:sc= -0.433 K(o=-0.43,f=-9.3!) USER MOD Single : A 118 TYR OH : rot 14:sc= -0.314! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.663 13.731 -0.906 1.00 0.00 N ATOM 2 CA GLU A 1 2.902 14.441 -2.195 1.00 0.00 C ATOM 3 C GLU A 1 4.239 14.014 -2.826 1.00 0.00 C ATOM 4 O GLU A 1 4.227 13.517 -3.932 1.00 0.00 O ATOM 5 CB GLU A 1 2.855 15.962 -1.916 1.00 0.00 C ATOM 6 CG GLU A 1 3.721 16.418 -0.685 1.00 0.00 C ATOM 7 CD GLU A 1 3.564 17.927 -0.415 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.713 18.560 -1.019 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.350 18.324 0.422 1.00 0.00 O ATOM 0 H1 GLU A 1 2.083 14.329 -0.283 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.165 12.837 -1.089 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.574 13.532 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 1 2.130 14.180 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.197 16.494 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.819 16.257 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.423 15.856 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.770 16.187 -0.871 1.00 0.00 H new ATOM 18 N GLN A 2 5.322 14.214 -2.119 1.00 0.00 N ATOM 19 CA GLN A 2 6.675 13.830 -2.633 1.00 0.00 C ATOM 20 C GLN A 2 7.602 13.183 -1.570 1.00 0.00 C ATOM 21 O GLN A 2 8.062 13.824 -0.642 1.00 0.00 O ATOM 22 CB GLN A 2 7.272 15.135 -3.241 1.00 0.00 C ATOM 23 CG GLN A 2 8.762 15.007 -3.719 1.00 0.00 C ATOM 24 CD GLN A 2 9.762 15.355 -2.607 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.602 16.288 -1.854 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.832 14.648 -2.454 1.00 0.00 N ATOM 0 H GLN A 2 5.327 14.635 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 2 6.585 13.040 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.657 15.441 -4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.209 15.929 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.945 13.989 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.926 15.666 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.009 13.851 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.500 14.886 -1.721 1.00 0.00 H new ATOM 35 N ALA A 3 7.827 11.902 -1.734 1.00 0.00 N ATOM 36 CA ALA A 3 8.712 11.155 -0.792 1.00 0.00 C ATOM 37 C ALA A 3 9.655 10.221 -1.600 1.00 0.00 C ATOM 38 O ALA A 3 9.242 9.615 -2.576 1.00 0.00 O ATOM 39 CB ALA A 3 7.804 10.375 0.134 1.00 0.00 C ATOM 0 H ALA A 3 7.431 11.339 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 3 9.346 11.822 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.407 9.810 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.157 11.065 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.193 9.687 -0.450 1.00 0.00 H new ATOM 45 N ASN A 4 10.886 10.136 -1.167 1.00 0.00 N ATOM 46 CA ASN A 4 11.926 9.276 -1.832 1.00 0.00 C ATOM 47 C ASN A 4 12.582 8.379 -0.763 1.00 0.00 C ATOM 48 O ASN A 4 12.291 8.525 0.409 1.00 0.00 O ATOM 49 CB ASN A 4 12.975 10.186 -2.493 1.00 0.00 C ATOM 50 CG ASN A 4 12.325 11.077 -3.543 1.00 0.00 C ATOM 51 OD1 ASN A 4 11.765 10.668 -4.532 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.358 12.355 -3.397 1.00 0.00 N ATOM 0 H ASN A 4 11.230 10.643 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 4 11.474 8.645 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.460 10.802 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.753 9.578 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.926 12.959 -4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.816 12.764 -2.582 1.00 0.00 H new ATOM 59 N ASP A 5 13.445 7.488 -1.178 1.00 0.00 N ATOM 60 CA ASP A 5 14.155 6.544 -0.245 1.00 0.00 C ATOM 61 C ASP A 5 13.175 6.042 0.825 1.00 0.00 C ATOM 62 O ASP A 5 13.383 6.115 2.024 1.00 0.00 O ATOM 63 CB ASP A 5 15.359 7.334 0.342 1.00 0.00 C ATOM 64 CG ASP A 5 16.293 7.569 -0.827 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.893 6.559 -1.155 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.330 8.693 -1.299 1.00 0.00 O ATOM 0 H ASP A 5 13.699 7.368 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 5 14.526 5.651 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.034 8.277 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.853 6.768 1.132 1.00 0.00 H new ATOM 71 N VAL A 6 12.102 5.523 0.297 1.00 0.00 N ATOM 72 CA VAL A 6 11.023 4.983 1.167 1.00 0.00 C ATOM 73 C VAL A 6 11.299 3.474 1.243 1.00 0.00 C ATOM 74 O VAL A 6 11.741 2.872 0.275 1.00 0.00 O ATOM 75 CB VAL A 6 9.654 5.317 0.487 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.453 5.021 1.419 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.606 6.822 0.163 1.00 0.00 C ATOM 0 H VAL A 6 11.926 5.450 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 6 10.992 5.404 2.172 1.00 0.00 H new ATOM 0 HB VAL A 6 9.580 4.697 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.524 5.268 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.451 3.964 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.538 5.623 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.654 7.062 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.707 7.396 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.422 7.075 -0.514 1.00 0.00 H new ATOM 87 N ARG A 7 11.014 2.909 2.388 1.00 0.00 N ATOM 88 CA ARG A 7 11.251 1.441 2.568 1.00 0.00 C ATOM 89 C ARG A 7 9.987 0.699 2.130 1.00 0.00 C ATOM 90 O ARG A 7 9.002 0.639 2.845 1.00 0.00 O ATOM 91 CB ARG A 7 11.567 1.184 4.048 1.00 0.00 C ATOM 92 CG ARG A 7 12.025 -0.288 4.209 1.00 0.00 C ATOM 93 CD ARG A 7 12.436 -0.475 5.657 1.00 0.00 C ATOM 94 NE ARG A 7 13.115 -1.820 5.760 1.00 0.00 N ATOM 95 CZ ARG A 7 13.223 -2.418 6.889 1.00 0.00 C ATOM 96 NH1 ARG A 7 13.605 -1.721 7.880 1.00 0.00 N ATOM 97 NH2 ARG A 7 12.967 -3.657 7.011 1.00 0.00 N ATOM 0 H ARG A 7 10.631 3.393 3.200 1.00 0.00 H new ATOM 0 HA ARG A 7 12.089 1.088 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.348 1.863 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.686 1.375 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.218 -0.973 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.858 -0.507 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.111 0.321 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.566 -0.432 6.312 1.00 0.00 H new ATOM 0 HE ARG A 7 13.493 -2.259 4.920 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.811 -0.730 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.706 -2.153 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.668 -4.198 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.060 -4.110 7.920 1.00 0.00 H new ATOM 111 N ALA A 8 10.059 0.147 0.951 1.00 0.00 N ATOM 112 CA ALA A 8 8.864 -0.592 0.439 1.00 0.00 C ATOM 113 C ALA A 8 9.070 -2.078 0.725 1.00 0.00 C ATOM 114 O ALA A 8 10.158 -2.599 0.569 1.00 0.00 O ATOM 115 CB ALA A 8 8.732 -0.323 -1.078 1.00 0.00 C ATOM 0 H ALA A 8 10.869 0.171 0.331 1.00 0.00 H new ATOM 0 HA ALA A 8 7.947 -0.262 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.864 -0.855 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.608 0.746 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.630 -0.670 -1.589 1.00 0.00 H new ATOM 121 N THR A 9 8.004 -2.692 1.145 1.00 0.00 N ATOM 122 CA THR A 9 8.000 -4.151 1.483 1.00 0.00 C ATOM 123 C THR A 9 6.691 -4.718 0.949 1.00 0.00 C ATOM 124 O THR A 9 5.680 -4.084 1.171 1.00 0.00 O ATOM 125 CB THR A 9 8.062 -4.339 3.023 1.00 0.00 C ATOM 126 OG1 THR A 9 6.851 -3.837 3.561 1.00 0.00 O ATOM 127 CG2 THR A 9 9.021 -3.347 3.680 1.00 0.00 C ATOM 0 H THR A 9 7.102 -2.233 1.274 1.00 0.00 H new ATOM 0 HA THR A 9 8.860 -4.657 1.045 1.00 0.00 H new ATOM 0 HB THR A 9 8.311 -5.387 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.215 -3.670 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.034 -3.513 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.024 -3.490 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.689 -2.329 3.474 1.00 0.00 H new ATOM 135 N TYR A 10 6.717 -5.843 0.301 1.00 0.00 N ATOM 136 CA TYR A 10 5.436 -6.416 -0.229 1.00 0.00 C ATOM 137 C TYR A 10 4.757 -7.311 0.825 1.00 0.00 C ATOM 138 O TYR A 10 5.268 -7.534 1.910 1.00 0.00 O ATOM 139 CB TYR A 10 5.758 -7.241 -1.488 1.00 0.00 C ATOM 140 CG TYR A 10 6.961 -8.129 -1.151 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.838 -9.256 -0.363 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.199 -7.785 -1.625 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.944 -10.027 -0.056 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.294 -8.553 -1.318 1.00 0.00 C ATOM 145 CZ TYR A 10 9.177 -9.673 -0.537 1.00 0.00 C ATOM 146 OH TYR A 10 10.300 -10.421 -0.269 1.00 0.00 O ATOM 0 H TYR A 10 7.555 -6.392 0.112 1.00 0.00 H new ATOM 0 HA TYR A 10 4.749 -5.605 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.901 -7.848 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.986 -6.586 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.868 -9.538 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.314 -6.906 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.836 -10.906 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.264 -8.270 -1.698 1.00 0.00 H new ATOM 0 HH TYR A 10 10.249 -11.272 -0.752 1.00 0.00 H new ATOM 156 N HIS A 11 3.612 -7.813 0.454 1.00 0.00 N ATOM 157 CA HIS A 11 2.837 -8.704 1.379 1.00 0.00 C ATOM 158 C HIS A 11 2.112 -9.808 0.576 1.00 0.00 C ATOM 159 O HIS A 11 2.335 -9.961 -0.610 1.00 0.00 O ATOM 160 CB HIS A 11 1.830 -7.813 2.157 1.00 0.00 C ATOM 161 CG HIS A 11 0.537 -7.676 1.363 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.461 -7.568 0.074 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.778 -7.640 1.794 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.775 -7.474 -0.269 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.572 -7.516 0.763 1.00 0.00 N ATOM 0 H HIS A 11 3.174 -7.647 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 11 3.502 -9.206 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.623 -8.251 3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.264 -6.829 2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.099 -7.704 2.823 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.113 -7.372 -1.290 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.591 -7.464 0.765 1.00 0.00 H new ATOM 173 N TYR A 12 1.269 -10.527 1.264 1.00 0.00 N ATOM 174 CA TYR A 12 0.466 -11.640 0.669 1.00 0.00 C ATOM 175 C TYR A 12 -1.049 -11.419 0.962 1.00 0.00 C ATOM 176 O TYR A 12 -1.488 -11.598 2.083 1.00 0.00 O ATOM 177 CB TYR A 12 0.983 -12.965 1.287 1.00 0.00 C ATOM 178 CG TYR A 12 2.323 -13.420 0.657 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.323 -14.161 -0.508 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.538 -13.113 1.238 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.520 -14.593 -1.078 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.734 -13.545 0.667 1.00 0.00 C ATOM 183 CZ TYR A 12 4.738 -14.288 -0.493 1.00 0.00 C ATOM 184 OH TYR A 12 5.938 -14.724 -1.037 1.00 0.00 O ATOM 0 H TYR A 12 1.095 -10.383 2.259 1.00 0.00 H new ATOM 0 HA TYR A 12 0.578 -11.675 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.114 -12.836 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.235 -13.745 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.385 -14.409 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.562 -12.530 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.497 -15.174 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.671 -13.294 1.141 1.00 0.00 H new ATOM 0 HH TYR A 12 6.682 -14.407 -0.484 1.00 0.00 H new ATOM 194 N TYR A 13 -1.797 -11.031 -0.042 1.00 0.00 N ATOM 195 CA TYR A 13 -3.281 -10.794 0.142 1.00 0.00 C ATOM 196 C TYR A 13 -4.080 -11.929 -0.536 1.00 0.00 C ATOM 197 O TYR A 13 -4.981 -12.510 0.039 1.00 0.00 O ATOM 198 CB TYR A 13 -3.663 -9.421 -0.496 1.00 0.00 C ATOM 199 CG TYR A 13 -4.606 -8.630 0.439 1.00 0.00 C ATOM 200 CD1 TYR A 13 -5.661 -9.240 1.090 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.403 -7.283 0.652 1.00 0.00 C ATOM 202 CE1 TYR A 13 -6.484 -8.517 1.933 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.226 -6.569 1.494 1.00 0.00 C ATOM 204 CZ TYR A 13 -6.269 -7.176 2.138 1.00 0.00 C ATOM 205 OH TYR A 13 -7.087 -6.451 2.974 1.00 0.00 O ATOM 0 H TYR A 13 -1.451 -10.865 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.521 -10.781 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.761 -8.840 -0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.149 -9.584 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.845 -10.293 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.588 -6.781 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.303 -9.011 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.046 -5.515 1.648 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.785 -5.519 2.999 1.00 0.00 H new ATOM 215 N ARG A 14 -3.692 -12.177 -1.762 1.00 0.00 N ATOM 216 CA ARG A 14 -4.317 -13.241 -2.624 1.00 0.00 C ATOM 217 C ARG A 14 -3.545 -13.314 -3.974 1.00 0.00 C ATOM 218 O ARG A 14 -3.013 -14.362 -4.288 1.00 0.00 O ATOM 219 CB ARG A 14 -5.863 -12.892 -2.827 1.00 0.00 C ATOM 220 CG ARG A 14 -6.744 -13.854 -1.965 1.00 0.00 C ATOM 221 CD ARG A 14 -8.188 -13.299 -1.853 1.00 0.00 C ATOM 222 NE ARG A 14 -8.605 -13.566 -0.428 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.817 -13.605 -0.004 1.00 0.00 C ATOM 224 NH1 ARG A 14 -10.708 -14.218 -0.680 1.00 0.00 N ATOM 225 NH2 ARG A 14 -10.042 -13.014 1.105 1.00 0.00 N ATOM 0 H ARG A 14 -2.938 -11.667 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.254 -14.222 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.052 -11.857 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.131 -12.985 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.762 -14.846 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.310 -13.964 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.219 -12.233 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.856 -13.794 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.864 -13.729 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.458 -14.677 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.671 -14.250 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.280 -12.548 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.983 -13.008 1.498 1.00 0.00 H new ATOM 239 N PRO A 15 -3.485 -12.234 -4.741 1.00 0.00 N ATOM 240 CA PRO A 15 -4.274 -10.963 -4.598 1.00 0.00 C ATOM 241 C PRO A 15 -5.509 -10.855 -5.521 1.00 0.00 C ATOM 242 O PRO A 15 -6.645 -10.902 -5.085 1.00 0.00 O ATOM 243 CB PRO A 15 -3.250 -9.895 -4.886 1.00 0.00 C ATOM 244 CG PRO A 15 -2.319 -10.552 -5.979 1.00 0.00 C ATOM 245 CD PRO A 15 -2.542 -12.109 -5.886 1.00 0.00 C ATOM 0 HA PRO A 15 -4.727 -10.888 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.717 -8.982 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.689 -9.627 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.570 -10.184 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.274 -10.299 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.965 -12.514 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.609 -12.642 -5.703 1.00 0.00 H new ATOM 253 N ALA A 16 -5.230 -10.722 -6.788 1.00 0.00 N ATOM 254 CA ALA A 16 -6.321 -10.602 -7.797 1.00 0.00 C ATOM 255 C ALA A 16 -7.220 -11.843 -7.889 1.00 0.00 C ATOM 256 O ALA A 16 -8.289 -11.748 -8.448 1.00 0.00 O ATOM 257 CB ALA A 16 -5.666 -10.308 -9.160 1.00 0.00 C ATOM 0 H ALA A 16 -4.285 -10.691 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.983 -9.793 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.439 -10.214 -9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.101 -9.378 -9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.993 -11.124 -9.424 1.00 0.00 H new ATOM 263 N GLN A 17 -6.772 -12.948 -7.348 1.00 0.00 N ATOM 264 CA GLN A 17 -7.532 -14.245 -7.360 1.00 0.00 C ATOM 265 C GLN A 17 -9.065 -14.047 -7.322 1.00 0.00 C ATOM 266 O GLN A 17 -9.753 -14.464 -8.230 1.00 0.00 O ATOM 267 CB GLN A 17 -7.062 -15.103 -6.146 1.00 0.00 C ATOM 268 CG GLN A 17 -6.761 -16.582 -6.601 1.00 0.00 C ATOM 269 CD GLN A 17 -7.817 -17.191 -7.539 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.749 -17.084 -8.740 1.00 0.00 O ATOM 271 NE2 GLN A 17 -8.825 -17.840 -7.060 1.00 0.00 N ATOM 0 H GLN A 17 -5.870 -13.009 -6.876 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.318 -14.755 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.168 -14.662 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.831 -15.103 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.793 -16.604 -7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.676 -17.211 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.924 -17.956 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.522 -18.237 -7.690 1.00 0.00 H new ATOM 280 N ASN A 18 -9.579 -13.410 -6.303 1.00 0.00 N ATOM 281 CA ASN A 18 -11.077 -13.203 -6.246 1.00 0.00 C ATOM 282 C ASN A 18 -11.342 -11.872 -6.997 1.00 0.00 C ATOM 283 O ASN A 18 -12.046 -11.004 -6.524 1.00 0.00 O ATOM 284 CB ASN A 18 -11.470 -13.142 -4.734 1.00 0.00 C ATOM 285 CG ASN A 18 -12.974 -13.182 -4.486 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.413 -13.632 -3.450 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.806 -12.733 -5.364 1.00 0.00 N ATOM 0 H ASN A 18 -9.050 -13.028 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.667 -13.994 -6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.003 -13.978 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.064 -12.229 -4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.809 -12.762 -5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.461 -12.349 -6.244 1.00 0.00 H new ATOM 294 N ASN A 19 -10.762 -11.797 -8.180 1.00 0.00 N ATOM 295 CA ASN A 19 -10.852 -10.599 -9.094 1.00 0.00 C ATOM 296 C ASN A 19 -10.699 -9.366 -8.175 1.00 0.00 C ATOM 297 O ASN A 19 -11.401 -8.380 -8.211 1.00 0.00 O ATOM 298 CB ASN A 19 -12.226 -10.656 -9.803 1.00 0.00 C ATOM 299 CG ASN A 19 -12.141 -9.741 -11.021 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.623 -8.638 -11.083 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.512 -10.120 -12.078 1.00 0.00 N ATOM 0 H ASN A 19 -10.202 -12.557 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.088 -10.565 -9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.462 -11.677 -10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.020 -10.330 -9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.451 -9.500 -12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.074 -11.041 -12.108 1.00 0.00 H new ATOM 308 N TRP A 20 -9.698 -9.542 -7.358 1.00 0.00 N ATOM 309 CA TRP A 20 -9.255 -8.572 -6.313 1.00 0.00 C ATOM 310 C TRP A 20 -10.364 -8.177 -5.287 1.00 0.00 C ATOM 311 O TRP A 20 -10.016 -7.496 -4.343 1.00 0.00 O ATOM 312 CB TRP A 20 -8.857 -7.244 -6.849 1.00 0.00 C ATOM 313 CG TRP A 20 -8.000 -7.054 -8.115 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.616 -6.861 -9.295 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.650 -6.944 -8.276 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.612 -6.634 -10.121 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.388 -6.656 -9.602 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.584 -7.042 -7.392 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.079 -6.458 -10.015 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.287 -6.849 -7.829 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.033 -6.556 -9.138 1.00 0.00 C ATOM 0 H TRP A 20 -9.127 -10.387 -7.377 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.431 -9.126 -5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.782 -6.694 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.329 -6.735 -6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.673 -6.886 -9.513 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.768 -6.450 -11.112 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.770 -7.271 -6.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.881 -6.222 -11.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.468 -6.931 -7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.019 -6.403 -9.477 1.00 0.00 H new ATOM 332 N ASP A 21 -11.602 -8.580 -5.470 1.00 0.00 N ATOM 333 CA ASP A 21 -12.730 -8.232 -4.565 1.00 0.00 C ATOM 334 C ASP A 21 -12.400 -7.553 -3.219 1.00 0.00 C ATOM 335 O ASP A 21 -12.424 -8.060 -2.109 1.00 0.00 O ATOM 336 CB ASP A 21 -13.581 -9.523 -4.339 1.00 0.00 C ATOM 337 CG ASP A 21 -14.749 -9.192 -3.361 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.219 -8.059 -3.406 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.104 -10.098 -2.628 1.00 0.00 O ATOM 0 H ASP A 21 -11.881 -9.168 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.274 -7.443 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.975 -9.886 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.959 -10.318 -3.928 1.00 0.00 H new ATOM 344 N LEU A 22 -12.067 -6.319 -3.443 1.00 0.00 N ATOM 345 CA LEU A 22 -11.710 -5.358 -2.383 1.00 0.00 C ATOM 346 C LEU A 22 -12.815 -5.325 -1.298 1.00 0.00 C ATOM 347 O LEU A 22 -12.580 -4.801 -0.230 1.00 0.00 O ATOM 348 CB LEU A 22 -11.574 -3.999 -3.034 1.00 0.00 C ATOM 349 CG LEU A 22 -10.525 -3.888 -4.130 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.731 -2.459 -4.618 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.126 -4.013 -3.526 1.00 0.00 C ATOM 0 H LEU A 22 -12.028 -5.919 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.777 -5.647 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.541 -3.721 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.341 -3.269 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.613 -4.650 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.027 -2.244 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.750 -2.344 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.564 -1.765 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.380 -3.933 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.971 -3.216 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.028 -4.980 -3.032 1.00 0.00 H new ATOM 363 N GLY A 23 -13.971 -5.868 -1.606 1.00 0.00 N ATOM 364 CA GLY A 23 -15.113 -5.889 -0.633 1.00 0.00 C ATOM 365 C GLY A 23 -15.323 -7.273 -0.035 1.00 0.00 C ATOM 366 O GLY A 23 -16.335 -7.536 0.582 1.00 0.00 O ATOM 0 H GLY A 23 -14.174 -6.305 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.922 -5.173 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.025 -5.569 -1.137 1.00 0.00 H new ATOM 370 N ALA A 24 -14.361 -8.136 -0.224 1.00 0.00 N ATOM 371 CA ALA A 24 -14.449 -9.525 0.319 1.00 0.00 C ATOM 372 C ALA A 24 -14.498 -9.494 1.876 1.00 0.00 C ATOM 373 O ALA A 24 -13.888 -8.630 2.482 1.00 0.00 O ATOM 374 CB ALA A 24 -13.203 -10.297 -0.201 1.00 0.00 C ATOM 0 H ALA A 24 -13.504 -7.935 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.360 -10.023 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.227 -11.321 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.211 -10.309 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.297 -9.804 0.150 1.00 0.00 H new ATOM 380 N PRO A 25 -15.211 -10.426 2.475 1.00 0.00 N ATOM 381 CA PRO A 25 -15.529 -10.432 3.941 1.00 0.00 C ATOM 382 C PRO A 25 -14.423 -9.833 4.843 1.00 0.00 C ATOM 383 O PRO A 25 -14.625 -8.859 5.535 1.00 0.00 O ATOM 384 CB PRO A 25 -15.837 -11.923 4.263 1.00 0.00 C ATOM 385 CG PRO A 25 -15.669 -12.687 2.900 1.00 0.00 C ATOM 386 CD PRO A 25 -15.793 -11.618 1.802 1.00 0.00 C ATOM 0 HA PRO A 25 -16.372 -9.776 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.153 -12.311 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.847 -12.040 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.703 -13.189 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.434 -13.455 2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.242 -11.890 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.829 -11.455 1.504 1.00 0.00 H new ATOM 394 N ALA A 26 -13.276 -10.455 4.796 1.00 0.00 N ATOM 395 CA ALA A 26 -12.102 -9.999 5.616 1.00 0.00 C ATOM 396 C ALA A 26 -11.184 -8.959 4.910 1.00 0.00 C ATOM 397 O ALA A 26 -9.981 -8.949 5.104 1.00 0.00 O ATOM 398 CB ALA A 26 -11.336 -11.296 6.000 1.00 0.00 C ATOM 0 H ALA A 26 -13.094 -11.274 4.216 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.453 -9.452 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.464 -11.039 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.993 -11.950 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.014 -11.810 5.094 1.00 0.00 H new ATOM 404 N VAL A 27 -11.762 -8.117 4.099 1.00 0.00 N ATOM 405 CA VAL A 27 -10.933 -7.077 3.383 1.00 0.00 C ATOM 406 C VAL A 27 -11.525 -5.670 3.532 1.00 0.00 C ATOM 407 O VAL A 27 -10.962 -4.741 4.079 1.00 0.00 O ATOM 408 CB VAL A 27 -10.870 -7.420 1.873 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.842 -6.522 1.149 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.459 -8.902 1.679 1.00 0.00 C ATOM 0 H VAL A 27 -12.761 -8.094 3.895 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.939 -7.085 3.831 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.860 -7.249 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.815 -6.781 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.130 -5.477 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.855 -6.674 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.418 -9.132 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.478 -9.069 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.191 -9.549 2.162 1.00 0.00 H new ATOM 420 N SER A 28 -12.717 -5.640 3.012 1.00 0.00 N ATOM 421 CA SER A 28 -13.580 -4.431 2.953 1.00 0.00 C ATOM 422 C SER A 28 -12.810 -3.086 2.843 1.00 0.00 C ATOM 423 O SER A 28 -12.696 -2.318 3.779 1.00 0.00 O ATOM 424 CB SER A 28 -14.486 -4.440 4.219 1.00 0.00 C ATOM 425 OG SER A 28 -13.566 -4.414 5.307 1.00 0.00 O ATOM 0 H SER A 28 -13.155 -6.463 2.598 1.00 0.00 H new ATOM 0 HA SER A 28 -14.161 -4.486 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.151 -3.577 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.116 -5.329 4.251 1.00 0.00 H new ATOM 0 HG SER A 28 -12.999 -3.618 5.237 1.00 0.00 H new ATOM 431 N ALA A 29 -12.292 -2.849 1.668 1.00 0.00 N ATOM 432 CA ALA A 29 -11.527 -1.593 1.414 1.00 0.00 C ATOM 433 C ALA A 29 -12.450 -0.393 1.064 1.00 0.00 C ATOM 434 O ALA A 29 -13.641 -0.504 0.837 1.00 0.00 O ATOM 435 CB ALA A 29 -10.540 -1.921 0.284 1.00 0.00 C ATOM 0 H ALA A 29 -12.366 -3.476 0.867 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.000 -1.272 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.947 -1.037 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.879 -2.728 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.092 -2.232 -0.603 1.00 0.00 H new ATOM 441 N TYR A 30 -11.807 0.742 1.037 1.00 0.00 N ATOM 442 CA TYR A 30 -12.469 2.046 0.736 1.00 0.00 C ATOM 443 C TYR A 30 -13.245 2.182 -0.578 1.00 0.00 C ATOM 444 O TYR A 30 -14.427 2.460 -0.539 1.00 0.00 O ATOM 445 CB TYR A 30 -11.369 3.170 0.816 1.00 0.00 C ATOM 446 CG TYR A 30 -11.701 4.144 1.968 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.010 4.530 2.225 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.696 4.651 2.771 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.307 5.396 3.260 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.000 5.520 3.809 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.300 5.892 4.052 1.00 0.00 C ATOM 452 OH TYR A 30 -12.585 6.754 5.087 1.00 0.00 O ATOM 0 H TYR A 30 -10.807 0.822 1.219 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.256 2.134 1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.389 2.722 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.320 3.712 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.808 4.147 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.669 4.369 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.331 5.683 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.207 5.908 4.432 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.754 7.004 5.543 1.00 0.00 H new ATOM 462 N CYS A 31 -12.607 1.992 -1.698 1.00 0.00 N ATOM 463 CA CYS A 31 -13.391 2.140 -2.975 1.00 0.00 C ATOM 464 C CYS A 31 -14.096 0.826 -3.369 1.00 0.00 C ATOM 465 O CYS A 31 -14.933 0.794 -4.235 1.00 0.00 O ATOM 466 CB CYS A 31 -12.432 2.577 -4.107 1.00 0.00 C ATOM 467 SG CYS A 31 -11.063 3.722 -3.807 1.00 0.00 S ATOM 0 H CYS A 31 -11.621 1.751 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.163 2.894 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.997 1.667 -4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.048 3.020 -4.889 1.00 0.00 H new ATOM 472 N ALA A 32 -13.773 -0.264 -2.743 1.00 0.00 N ATOM 473 CA ALA A 32 -14.420 -1.578 -3.085 1.00 0.00 C ATOM 474 C ALA A 32 -15.932 -1.603 -3.385 1.00 0.00 C ATOM 475 O ALA A 32 -16.370 -2.259 -4.306 1.00 0.00 O ATOM 476 CB ALA A 32 -14.158 -2.506 -1.957 1.00 0.00 C ATOM 0 H ALA A 32 -13.080 -0.313 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.970 -1.857 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.613 -3.474 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.083 -2.631 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.585 -2.096 -1.042 1.00 0.00 H new ATOM 482 N THR A 33 -16.639 -0.883 -2.562 1.00 0.00 N ATOM 483 CA THR A 33 -18.137 -0.771 -2.667 1.00 0.00 C ATOM 484 C THR A 33 -18.609 0.232 -3.725 1.00 0.00 C ATOM 485 O THR A 33 -19.793 0.381 -3.962 1.00 0.00 O ATOM 486 CB THR A 33 -18.607 -0.384 -1.278 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.306 -1.527 -0.482 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.101 -0.245 -1.102 1.00 0.00 C ATOM 0 H THR A 33 -16.236 -0.347 -1.793 1.00 0.00 H new ATOM 0 HA THR A 33 -18.564 -1.717 -3.001 1.00 0.00 H new ATOM 0 HB THR A 33 -18.143 0.573 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.579 -1.361 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.322 0.034 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.476 0.526 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.584 -1.194 -1.332 1.00 0.00 H new ATOM 496 N TRP A 34 -17.653 0.887 -4.317 1.00 0.00 N ATOM 497 CA TRP A 34 -17.922 1.907 -5.378 1.00 0.00 C ATOM 498 C TRP A 34 -17.150 1.758 -6.701 1.00 0.00 C ATOM 499 O TRP A 34 -17.685 2.151 -7.720 1.00 0.00 O ATOM 500 CB TRP A 34 -17.657 3.278 -4.734 1.00 0.00 C ATOM 501 CG TRP A 34 -18.701 3.461 -3.626 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.050 3.354 -3.773 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.425 3.731 -2.341 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.490 3.567 -2.548 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.586 3.803 -1.614 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.205 3.924 -1.735 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.534 4.066 -0.264 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.141 4.188 -0.382 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.311 4.258 0.355 1.00 0.00 C ATOM 0 H TRP A 34 -16.664 0.756 -4.106 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.954 1.770 -5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.648 3.323 -4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.737 4.074 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.618 3.147 -4.668 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.486 3.550 -2.331 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.298 3.869 -2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.446 4.122 0.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.186 4.339 0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.269 4.463 1.415 1.00 0.00 H new ATOM 520 N ASP A 35 -15.958 1.209 -6.672 1.00 0.00 N ATOM 521 CA ASP A 35 -15.141 1.033 -7.914 1.00 0.00 C ATOM 522 C ASP A 35 -15.244 -0.280 -8.672 1.00 0.00 C ATOM 523 O ASP A 35 -15.719 -0.177 -9.777 1.00 0.00 O ATOM 524 CB ASP A 35 -13.618 1.140 -7.682 1.00 0.00 C ATOM 525 CG ASP A 35 -13.045 2.494 -7.326 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.791 3.439 -7.165 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.832 2.430 -7.242 1.00 0.00 O ATOM 0 H ASP A 35 -15.509 0.869 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.587 1.844 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.353 0.446 -6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.118 0.794 -8.586 1.00 0.00 H new ATOM 532 N ALA A 36 -14.782 -1.365 -8.041 1.00 0.00 N ATOM 533 CA ALA A 36 -14.685 -2.832 -8.454 1.00 0.00 C ATOM 534 C ALA A 36 -15.359 -3.445 -9.715 1.00 0.00 C ATOM 535 O ALA A 36 -15.519 -4.636 -9.841 1.00 0.00 O ATOM 536 CB ALA A 36 -15.107 -3.636 -7.200 1.00 0.00 C ATOM 0 H ALA A 36 -14.409 -1.255 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.658 -2.895 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.062 -4.703 -7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.431 -3.407 -6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.125 -3.366 -6.920 1.00 0.00 H new ATOM 542 N SER A 37 -15.696 -2.579 -10.602 1.00 0.00 N ATOM 543 CA SER A 37 -16.353 -2.812 -11.921 1.00 0.00 C ATOM 544 C SER A 37 -15.322 -3.023 -13.023 1.00 0.00 C ATOM 545 O SER A 37 -15.329 -4.034 -13.690 1.00 0.00 O ATOM 546 CB SER A 37 -17.244 -1.586 -12.243 1.00 0.00 C ATOM 547 OG SER A 37 -16.314 -0.510 -12.345 1.00 0.00 O ATOM 0 H SER A 37 -15.520 -1.586 -10.448 1.00 0.00 H new ATOM 0 HA SER A 37 -16.959 -3.717 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.798 -1.726 -13.171 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.978 -1.407 -11.458 1.00 0.00 H new ATOM 0 HG SER A 37 -16.155 -0.130 -11.456 1.00 0.00 H new ATOM 553 N LYS A 38 -14.462 -2.047 -13.192 1.00 0.00 N ATOM 554 CA LYS A 38 -13.416 -2.183 -14.268 1.00 0.00 C ATOM 555 C LYS A 38 -12.628 -3.520 -14.285 1.00 0.00 C ATOM 556 O LYS A 38 -12.125 -3.927 -13.253 1.00 0.00 O ATOM 557 CB LYS A 38 -12.378 -1.044 -14.163 1.00 0.00 C ATOM 558 CG LYS A 38 -12.862 0.244 -14.843 1.00 0.00 C ATOM 559 CD LYS A 38 -14.041 0.886 -14.056 1.00 0.00 C ATOM 560 CE LYS A 38 -14.309 2.277 -14.620 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.106 3.115 -14.297 1.00 0.00 N ATOM 0 H LYS A 38 -14.433 -1.183 -12.651 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.996 -2.143 -15.190 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.168 -0.842 -13.113 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.442 -1.364 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.038 0.954 -14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.179 0.023 -15.862 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.933 0.266 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.797 0.949 -12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.472 2.233 -15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.209 2.706 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.411 3.999 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.480 2.591 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.592 3.337 -15.174 1.00 0.00 H new ATOM 575 N PRO A 39 -12.526 -4.140 -15.447 1.00 0.00 N ATOM 576 CA PRO A 39 -11.925 -5.497 -15.592 1.00 0.00 C ATOM 577 C PRO A 39 -10.470 -5.640 -15.090 1.00 0.00 C ATOM 578 O PRO A 39 -9.746 -4.692 -14.836 1.00 0.00 O ATOM 579 CB PRO A 39 -12.083 -5.801 -17.096 1.00 0.00 C ATOM 580 CG PRO A 39 -12.038 -4.388 -17.723 1.00 0.00 C ATOM 581 CD PRO A 39 -12.965 -3.614 -16.779 1.00 0.00 C ATOM 0 HA PRO A 39 -12.431 -6.218 -14.950 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.280 -6.437 -17.469 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.021 -6.312 -17.311 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.029 -3.976 -17.738 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.400 -4.382 -18.751 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.829 -2.536 -16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.017 -3.819 -16.976 1.00 0.00 H new ATOM 589 N LEU A 40 -10.077 -6.884 -14.985 1.00 0.00 N ATOM 590 CA LEU A 40 -8.705 -7.211 -14.504 1.00 0.00 C ATOM 591 C LEU A 40 -7.570 -6.468 -15.208 1.00 0.00 C ATOM 592 O LEU A 40 -6.829 -5.758 -14.565 1.00 0.00 O ATOM 593 CB LEU A 40 -8.529 -8.736 -14.636 1.00 0.00 C ATOM 594 CG LEU A 40 -8.372 -9.340 -13.227 1.00 0.00 C ATOM 595 CD1 LEU A 40 -8.378 -10.866 -13.346 1.00 0.00 C ATOM 596 CD2 LEU A 40 -6.999 -8.919 -12.661 1.00 0.00 C ATOM 0 H LEU A 40 -10.655 -7.693 -15.215 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.629 -6.873 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.391 -9.173 -15.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.654 -8.964 -15.244 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.181 -8.997 -12.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.268 -11.309 -12.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.320 -11.193 -13.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.551 -11.185 -13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.873 -9.339 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.208 -9.289 -13.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.946 -7.832 -12.606 1.00 0.00 H new ATOM 608 N SER A 41 -7.458 -6.637 -16.501 1.00 0.00 N ATOM 609 CA SER A 41 -6.371 -5.947 -17.266 1.00 0.00 C ATOM 610 C SER A 41 -6.057 -4.553 -16.715 1.00 0.00 C ATOM 611 O SER A 41 -5.036 -4.366 -16.091 1.00 0.00 O ATOM 612 CB SER A 41 -6.804 -5.865 -18.726 1.00 0.00 C ATOM 613 OG SER A 41 -5.730 -5.111 -19.258 1.00 0.00 O ATOM 0 H SER A 41 -8.074 -7.225 -17.063 1.00 0.00 H new ATOM 0 HA SER A 41 -5.451 -6.523 -17.167 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.894 -6.847 -19.190 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.765 -5.365 -18.848 1.00 0.00 H new ATOM 0 HG SER A 41 -5.870 -4.974 -20.218 1.00 0.00 H new ATOM 619 N TRP A 42 -6.961 -3.638 -16.944 1.00 0.00 N ATOM 620 CA TRP A 42 -6.746 -2.235 -16.444 1.00 0.00 C ATOM 621 C TRP A 42 -6.328 -2.233 -14.967 1.00 0.00 C ATOM 622 O TRP A 42 -5.291 -1.696 -14.608 1.00 0.00 O ATOM 623 CB TRP A 42 -8.051 -1.430 -16.612 1.00 0.00 C ATOM 624 CG TRP A 42 -7.879 0.006 -16.068 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.240 0.975 -16.767 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.301 0.526 -14.876 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.310 2.020 -15.972 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.922 1.857 -14.816 1.00 0.00 C ATOM 629 CE3 TRP A 42 -8.999 -0.008 -13.800 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.216 2.639 -13.727 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.300 0.784 -12.698 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.907 2.103 -12.663 1.00 0.00 C ATOM 0 H TRP A 42 -7.833 -3.792 -17.450 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.946 -1.778 -17.026 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.330 -1.395 -17.665 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.863 -1.930 -16.084 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.783 0.906 -17.743 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.908 2.919 -16.239 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.309 -1.042 -13.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.906 3.673 -13.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.844 0.363 -11.866 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.140 2.715 -11.804 1.00 0.00 H new ATOM 643 N ARG A 43 -7.168 -2.860 -14.179 1.00 0.00 N ATOM 644 CA ARG A 43 -6.914 -2.943 -12.715 1.00 0.00 C ATOM 645 C ARG A 43 -5.472 -3.359 -12.374 1.00 0.00 C ATOM 646 O ARG A 43 -4.906 -2.737 -11.499 1.00 0.00 O ATOM 647 CB ARG A 43 -7.931 -3.938 -12.121 1.00 0.00 C ATOM 648 CG ARG A 43 -8.431 -3.450 -10.737 1.00 0.00 C ATOM 649 CD ARG A 43 -9.335 -2.212 -10.972 1.00 0.00 C ATOM 650 NE ARG A 43 -9.901 -1.764 -9.640 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.108 -1.349 -9.425 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.961 -1.358 -10.374 1.00 0.00 N ATOM 653 NH2 ARG A 43 -11.418 -0.925 -8.256 1.00 0.00 N ATOM 0 H ARG A 43 -8.023 -3.319 -14.494 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.037 -1.951 -12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.776 -4.050 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.470 -4.921 -12.021 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.987 -4.239 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.589 -3.192 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.761 -1.406 -11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.142 -2.459 -11.662 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.272 -1.792 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.691 -1.692 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.913 -1.032 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.718 -0.918 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.364 -0.594 -8.068 1.00 0.00 H new ATOM 667 N SER A 44 -4.965 -4.366 -13.057 1.00 0.00 N ATOM 668 CA SER A 44 -3.565 -4.928 -12.876 1.00 0.00 C ATOM 669 C SER A 44 -2.509 -4.190 -13.727 1.00 0.00 C ATOM 670 O SER A 44 -1.330 -4.214 -13.441 1.00 0.00 O ATOM 671 CB SER A 44 -3.532 -6.423 -13.288 1.00 0.00 C ATOM 672 OG SER A 44 -4.014 -6.497 -14.634 1.00 0.00 O ATOM 0 H SER A 44 -5.496 -4.854 -13.779 1.00 0.00 H new ATOM 0 HA SER A 44 -3.321 -4.797 -11.822 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.519 -6.820 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.155 -7.020 -12.622 1.00 0.00 H new ATOM 0 HG SER A 44 -4.232 -5.597 -14.953 1.00 0.00 H new ATOM 678 N LYS A 45 -2.980 -3.560 -14.767 1.00 0.00 N ATOM 679 CA LYS A 45 -2.118 -2.783 -15.715 1.00 0.00 C ATOM 680 C LYS A 45 -1.588 -1.575 -14.959 1.00 0.00 C ATOM 681 O LYS A 45 -0.412 -1.262 -15.004 1.00 0.00 O ATOM 682 CB LYS A 45 -2.979 -2.335 -16.902 1.00 0.00 C ATOM 683 CG LYS A 45 -2.117 -1.583 -17.949 1.00 0.00 C ATOM 684 CD LYS A 45 -3.092 -0.911 -18.969 1.00 0.00 C ATOM 685 CE LYS A 45 -3.580 0.448 -18.432 1.00 0.00 C ATOM 686 NZ LYS A 45 -2.427 1.375 -18.572 1.00 0.00 N ATOM 0 H LYS A 45 -3.970 -3.550 -15.012 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.288 -3.382 -16.090 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.449 -3.203 -17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.782 -1.687 -16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.494 -0.832 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.445 -2.274 -18.459 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.588 -0.771 -19.925 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.945 -1.565 -19.151 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.441 0.806 -18.997 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.893 0.368 -17.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.129 1.703 -17.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.637 0.879 -19.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.707 2.193 -19.151 1.00 0.00 H new ATOM 700 N TYR A 46 -2.505 -0.923 -14.290 1.00 0.00 N ATOM 701 CA TYR A 46 -2.157 0.293 -13.481 1.00 0.00 C ATOM 702 C TYR A 46 -2.291 -0.034 -11.980 1.00 0.00 C ATOM 703 O TYR A 46 -3.402 -0.153 -11.504 1.00 0.00 O ATOM 704 CB TYR A 46 -3.122 1.440 -13.844 1.00 0.00 C ATOM 705 CG TYR A 46 -2.405 2.618 -14.511 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.397 2.473 -15.456 1.00 0.00 C ATOM 707 CD2 TYR A 46 -2.807 3.883 -14.142 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.814 3.604 -16.010 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.226 4.987 -14.694 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.235 4.861 -15.625 1.00 0.00 C ATOM 711 OH TYR A 46 -0.693 6.014 -16.148 1.00 0.00 O ATOM 0 H TYR A 46 -3.491 -1.181 -14.267 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.132 0.595 -13.697 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.895 1.063 -14.513 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.624 1.788 -12.941 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.070 1.489 -15.757 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.590 4.002 -13.408 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.029 3.500 -16.744 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.553 5.971 -14.392 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.357 6.734 -16.110 1.00 0.00 H new ATOM 721 N GLY A 47 -1.180 -0.174 -11.302 1.00 0.00 N ATOM 722 CA GLY A 47 -1.164 -0.492 -9.821 1.00 0.00 C ATOM 723 C GLY A 47 -2.280 0.185 -9.011 1.00 0.00 C ATOM 724 O GLY A 47 -2.851 1.178 -9.410 1.00 0.00 O ATOM 0 H GLY A 47 -0.252 -0.080 -11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.244 -1.572 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.200 -0.193 -9.409 1.00 0.00 H new ATOM 728 N TRP A 48 -2.593 -0.331 -7.865 1.00 0.00 N ATOM 729 CA TRP A 48 -3.699 0.340 -7.067 1.00 0.00 C ATOM 730 C TRP A 48 -3.553 0.097 -5.597 1.00 0.00 C ATOM 731 O TRP A 48 -4.253 -0.682 -4.996 1.00 0.00 O ATOM 732 CB TRP A 48 -5.041 -0.194 -7.677 1.00 0.00 C ATOM 733 CG TRP A 48 -5.333 -1.651 -7.360 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.353 -2.553 -7.121 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.539 -2.250 -7.238 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.007 -3.668 -6.857 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.320 -3.564 -6.906 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.851 -1.844 -7.365 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.321 -4.438 -6.700 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.877 -2.771 -7.151 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.612 -4.071 -6.817 1.00 0.00 C ATOM 0 H TRP A 48 -2.165 -1.154 -7.441 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.664 1.427 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.864 0.418 -7.308 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.010 -0.068 -8.759 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.285 -2.397 -7.142 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.533 -4.543 -6.632 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.084 -0.822 -7.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.085 -5.458 -6.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.904 -2.452 -7.252 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.411 -4.779 -6.653 1.00 0.00 H new ATOM 752 N THR A 49 -2.611 0.826 -5.080 1.00 0.00 N ATOM 753 CA THR A 49 -2.273 0.745 -3.630 1.00 0.00 C ATOM 754 C THR A 49 -3.007 1.739 -2.722 1.00 0.00 C ATOM 755 O THR A 49 -4.017 2.339 -3.043 1.00 0.00 O ATOM 756 CB THR A 49 -0.715 0.918 -3.511 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.390 2.090 -4.253 1.00 0.00 O ATOM 758 CG2 THR A 49 0.045 -0.141 -4.296 1.00 0.00 C ATOM 0 H THR A 49 -2.047 1.490 -5.610 1.00 0.00 H new ATOM 0 HA THR A 49 -2.614 -0.224 -3.267 1.00 0.00 H new ATOM 0 HB THR A 49 -0.464 0.902 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.576 2.247 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.117 0.021 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.214 -1.130 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.222 -0.074 -5.351 1.00 0.00 H new ATOM 766 N ALA A 50 -2.463 1.889 -1.553 1.00 0.00 N ATOM 767 CA ALA A 50 -3.060 2.814 -0.555 1.00 0.00 C ATOM 768 C ALA A 50 -2.339 4.166 -0.442 1.00 0.00 C ATOM 769 O ALA A 50 -1.313 4.436 -1.038 1.00 0.00 O ATOM 770 CB ALA A 50 -3.037 2.048 0.773 1.00 0.00 C ATOM 0 H ALA A 50 -1.621 1.406 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.069 3.090 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.464 2.670 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.622 1.134 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.008 1.795 1.029 1.00 0.00 H new ATOM 776 N PHE A 51 -2.949 4.991 0.356 1.00 0.00 N ATOM 777 CA PHE A 51 -2.429 6.370 0.633 1.00 0.00 C ATOM 778 C PHE A 51 -1.577 6.182 1.918 1.00 0.00 C ATOM 779 O PHE A 51 -2.083 6.068 3.013 1.00 0.00 O ATOM 780 CB PHE A 51 -3.683 7.318 0.808 1.00 0.00 C ATOM 781 CG PHE A 51 -3.870 7.828 2.249 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.009 8.784 2.759 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.880 7.337 3.050 1.00 0.00 C ATOM 784 CE1 PHE A 51 -3.147 9.248 4.048 1.00 0.00 C ATOM 785 CE2 PHE A 51 -5.027 7.798 4.343 1.00 0.00 C ATOM 786 CZ PHE A 51 -4.162 8.751 4.839 1.00 0.00 C ATOM 0 H PHE A 51 -3.814 4.766 0.847 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.818 6.826 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.579 8.172 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.581 6.781 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.217 9.172 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.558 6.590 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.468 9.993 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.820 7.412 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.280 9.110 5.851 1.00 0.00 H new ATOM 796 N CYS A 52 -0.286 6.123 1.759 1.00 0.00 N ATOM 797 CA CYS A 52 0.614 5.936 2.939 1.00 0.00 C ATOM 798 C CYS A 52 1.993 6.532 2.674 1.00 0.00 C ATOM 799 O CYS A 52 2.221 7.147 1.650 1.00 0.00 O ATOM 800 CB CYS A 52 0.712 4.424 3.207 1.00 0.00 C ATOM 801 SG CYS A 52 -0.884 3.591 3.340 1.00 0.00 S ATOM 0 H CYS A 52 0.191 6.196 0.860 1.00 0.00 H new ATOM 0 HA CYS A 52 0.210 6.452 3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.285 3.961 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.270 4.265 4.130 1.00 0.00 H new ATOM 806 N GLY A 53 2.851 6.303 3.631 1.00 0.00 N ATOM 807 CA GLY A 53 4.264 6.792 3.575 1.00 0.00 C ATOM 808 C GLY A 53 4.601 7.805 4.686 1.00 0.00 C ATOM 809 O GLY A 53 3.740 8.169 5.463 1.00 0.00 O ATOM 0 H GLY A 53 2.625 5.780 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.940 5.940 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.443 7.254 2.604 1.00 0.00 H new ATOM 813 N PRO A 54 5.836 8.251 4.759 1.00 0.00 N ATOM 814 CA PRO A 54 6.185 9.435 5.598 1.00 0.00 C ATOM 815 C PRO A 54 5.465 10.722 5.133 1.00 0.00 C ATOM 816 O PRO A 54 5.160 11.573 5.943 1.00 0.00 O ATOM 817 CB PRO A 54 7.724 9.494 5.508 1.00 0.00 C ATOM 818 CG PRO A 54 8.012 8.877 4.113 1.00 0.00 C ATOM 819 CD PRO A 54 7.024 7.688 4.054 1.00 0.00 C ATOM 0 HA PRO A 54 5.850 9.348 6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.094 10.516 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.198 8.925 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.833 9.592 3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.047 8.548 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.793 7.398 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.417 6.803 4.555 1.00 0.00 H new ATOM 827 N ALA A 55 5.213 10.853 3.855 1.00 0.00 N ATOM 828 CA ALA A 55 4.516 12.089 3.373 1.00 0.00 C ATOM 829 C ALA A 55 3.411 11.793 2.324 1.00 0.00 C ATOM 830 O ALA A 55 3.624 11.054 1.381 1.00 0.00 O ATOM 831 CB ALA A 55 5.622 13.013 2.823 1.00 0.00 C ATOM 0 H ALA A 55 5.454 10.172 3.134 1.00 0.00 H new ATOM 0 HA ALA A 55 3.976 12.568 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.175 13.936 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.331 13.245 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.143 12.511 2.008 1.00 0.00 H new ATOM 837 N GLY A 56 2.264 12.397 2.529 1.00 0.00 N ATOM 838 CA GLY A 56 1.086 12.215 1.598 1.00 0.00 C ATOM 839 C GLY A 56 -0.299 12.117 2.261 1.00 0.00 C ATOM 840 O GLY A 56 -0.888 11.058 2.247 1.00 0.00 O ATOM 0 H GLY A 56 2.084 13.022 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.072 13.050 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.250 11.310 1.012 1.00 0.00 H new ATOM 844 N PRO A 57 -0.803 13.198 2.808 1.00 0.00 N ATOM 845 CA PRO A 57 -2.111 13.125 3.518 1.00 0.00 C ATOM 846 C PRO A 57 -3.271 13.259 2.490 1.00 0.00 C ATOM 847 O PRO A 57 -3.648 14.320 2.026 1.00 0.00 O ATOM 848 CB PRO A 57 -1.948 14.267 4.539 1.00 0.00 C ATOM 849 CG PRO A 57 -1.132 15.346 3.754 1.00 0.00 C ATOM 850 CD PRO A 57 -0.189 14.552 2.819 1.00 0.00 C ATOM 0 HA PRO A 57 -2.364 12.193 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.913 14.653 4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.418 13.934 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.792 15.999 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.566 15.982 4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.149 14.987 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.833 14.530 3.198 1.00 0.00 H new ATOM 858 N ARG A 58 -3.814 12.110 2.155 1.00 0.00 N ATOM 859 CA ARG A 58 -4.952 11.987 1.179 1.00 0.00 C ATOM 860 C ARG A 58 -5.816 10.704 1.407 1.00 0.00 C ATOM 861 O ARG A 58 -5.550 9.683 0.807 1.00 0.00 O ATOM 862 CB ARG A 58 -4.273 12.016 -0.204 1.00 0.00 C ATOM 863 CG ARG A 58 -5.264 12.447 -1.328 1.00 0.00 C ATOM 864 CD ARG A 58 -5.180 13.987 -1.533 1.00 0.00 C ATOM 865 NE ARG A 58 -5.142 14.619 -0.165 1.00 0.00 N ATOM 866 CZ ARG A 58 -6.032 15.423 0.279 1.00 0.00 C ATOM 867 NH1 ARG A 58 -7.261 15.248 -0.019 1.00 0.00 N ATOM 868 NH2 ARG A 58 -5.605 16.360 1.017 1.00 0.00 N ATOM 0 H ARG A 58 -3.502 11.216 2.534 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.675 12.795 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.429 12.705 -0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.872 11.029 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.022 11.932 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.281 12.160 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.289 14.251 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.039 14.347 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.357 14.391 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.535 14.465 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.969 15.891 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.608 16.435 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.258 17.040 1.407 1.00 0.00 H new ATOM 882 N GLY A 59 -6.829 10.766 2.245 1.00 0.00 N ATOM 883 CA GLY A 59 -7.679 9.523 2.476 1.00 0.00 C ATOM 884 C GLY A 59 -9.075 9.605 1.826 1.00 0.00 C ATOM 885 O GLY A 59 -9.301 9.010 0.793 1.00 0.00 O ATOM 0 H GLY A 59 -7.108 11.594 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.153 8.654 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.795 9.365 3.548 1.00 0.00 H new ATOM 889 N GLN A 60 -9.951 10.348 2.461 1.00 0.00 N ATOM 890 CA GLN A 60 -11.373 10.562 1.984 1.00 0.00 C ATOM 891 C GLN A 60 -11.567 10.648 0.453 1.00 0.00 C ATOM 892 O GLN A 60 -11.840 9.679 -0.223 1.00 0.00 O ATOM 893 CB GLN A 60 -11.909 11.864 2.633 1.00 0.00 C ATOM 894 CG GLN A 60 -12.092 11.684 4.156 1.00 0.00 C ATOM 895 CD GLN A 60 -12.786 12.901 4.777 1.00 0.00 C ATOM 896 OE1 GLN A 60 -13.063 12.933 5.951 1.00 0.00 O ATOM 897 NE2 GLN A 60 -13.102 13.934 4.063 1.00 0.00 N ATOM 0 H GLN A 60 -9.736 10.839 3.329 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.924 9.672 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.217 12.683 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.861 12.137 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.680 10.787 4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.120 11.536 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.887 13.950 3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.566 14.732 4.497 1.00 0.00 H new ATOM 906 N ALA A 61 -11.423 11.836 -0.068 1.00 0.00 N ATOM 907 CA ALA A 61 -11.565 12.097 -1.526 1.00 0.00 C ATOM 908 C ALA A 61 -10.157 11.917 -2.143 1.00 0.00 C ATOM 909 O ALA A 61 -9.582 12.816 -2.729 1.00 0.00 O ATOM 910 CB ALA A 61 -12.116 13.533 -1.688 1.00 0.00 C ATOM 0 H ALA A 61 -11.204 12.667 0.481 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.254 11.421 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.233 13.760 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.083 13.610 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.420 14.242 -1.240 1.00 0.00 H new ATOM 916 N ALA A 62 -9.629 10.738 -1.959 1.00 0.00 N ATOM 917 CA ALA A 62 -8.267 10.422 -2.512 1.00 0.00 C ATOM 918 C ALA A 62 -8.344 9.451 -3.712 1.00 0.00 C ATOM 919 O ALA A 62 -7.465 9.420 -4.556 1.00 0.00 O ATOM 920 CB ALA A 62 -7.442 9.817 -1.373 1.00 0.00 C ATOM 0 H ALA A 62 -10.076 9.975 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.800 11.333 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.444 9.574 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.366 10.536 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.928 8.910 -1.013 1.00 0.00 H new ATOM 926 N CYS A 63 -9.420 8.696 -3.737 1.00 0.00 N ATOM 927 CA CYS A 63 -9.741 7.662 -4.795 1.00 0.00 C ATOM 928 C CYS A 63 -10.104 8.329 -6.165 1.00 0.00 C ATOM 929 O CYS A 63 -11.112 8.100 -6.801 1.00 0.00 O ATOM 930 CB CYS A 63 -10.922 6.792 -4.219 1.00 0.00 C ATOM 931 SG CYS A 63 -11.335 5.260 -5.095 1.00 0.00 S ATOM 0 H CYS A 63 -10.140 8.757 -3.017 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.875 7.035 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.679 6.535 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.816 7.415 -4.190 1.00 0.00 H new ATOM 936 N GLY A 64 -9.203 9.187 -6.552 1.00 0.00 N ATOM 937 CA GLY A 64 -9.248 9.987 -7.816 1.00 0.00 C ATOM 938 C GLY A 64 -7.830 10.300 -8.307 1.00 0.00 C ATOM 939 O GLY A 64 -7.659 10.720 -9.432 1.00 0.00 O ATOM 0 H GLY A 64 -8.370 9.381 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.791 9.435 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.793 10.915 -7.646 1.00 0.00 H new ATOM 943 N LYS A 65 -6.854 10.094 -7.446 1.00 0.00 N ATOM 944 CA LYS A 65 -5.421 10.357 -7.787 1.00 0.00 C ATOM 945 C LYS A 65 -4.590 9.075 -7.862 1.00 0.00 C ATOM 946 O LYS A 65 -4.965 8.024 -7.376 1.00 0.00 O ATOM 947 CB LYS A 65 -4.786 11.251 -6.703 1.00 0.00 C ATOM 948 CG LYS A 65 -5.375 12.655 -6.632 1.00 0.00 C ATOM 949 CD LYS A 65 -5.039 13.376 -7.946 1.00 0.00 C ATOM 950 CE LYS A 65 -5.356 14.838 -7.785 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.919 15.526 -9.037 1.00 0.00 N ATOM 0 H LYS A 65 -7.000 9.746 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.418 10.838 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.906 10.769 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.715 11.327 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.454 12.609 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.963 13.199 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.986 13.242 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.615 12.952 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.423 14.984 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.839 15.251 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.123 16.543 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.897 15.386 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.433 15.128 -9.849 1.00 0.00 H new ATOM 965 N CYS A 66 -3.445 9.216 -8.472 1.00 0.00 N ATOM 966 CA CYS A 66 -2.504 8.069 -8.623 1.00 0.00 C ATOM 967 C CYS A 66 -1.126 8.397 -7.969 1.00 0.00 C ATOM 968 O CYS A 66 -0.760 9.526 -7.701 1.00 0.00 O ATOM 969 CB CYS A 66 -2.413 7.772 -10.147 1.00 0.00 C ATOM 970 SG CYS A 66 -3.719 6.664 -10.748 1.00 0.00 S ATOM 0 H CYS A 66 -3.116 10.092 -8.879 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.855 7.177 -8.104 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.464 8.712 -10.696 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.442 7.328 -10.365 1.00 0.00 H new ATOM 975 N LEU A 67 -0.382 7.358 -7.738 1.00 0.00 N ATOM 976 CA LEU A 67 0.984 7.436 -7.104 1.00 0.00 C ATOM 977 C LEU A 67 2.049 6.975 -8.110 1.00 0.00 C ATOM 978 O LEU A 67 2.018 5.854 -8.568 1.00 0.00 O ATOM 979 CB LEU A 67 0.956 6.530 -5.840 1.00 0.00 C ATOM 980 CG LEU A 67 0.952 7.352 -4.543 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.633 6.397 -3.379 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.351 7.903 -4.319 1.00 0.00 C ATOM 0 H LEU A 67 -0.669 6.407 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 67 1.236 8.457 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.071 5.894 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.823 5.870 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 67 0.223 8.160 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.624 6.955 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.344 5.941 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.393 5.617 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.368 8.491 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.058 7.078 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.632 8.536 -5.160 1.00 0.00 H new ATOM 994 N ARG A 68 2.977 7.817 -8.449 1.00 0.00 N ATOM 995 CA ARG A 68 4.042 7.429 -9.432 1.00 0.00 C ATOM 996 C ARG A 68 5.192 6.793 -8.617 1.00 0.00 C ATOM 997 O ARG A 68 5.732 7.455 -7.749 1.00 0.00 O ATOM 998 CB ARG A 68 4.418 8.745 -10.166 1.00 0.00 C ATOM 999 CG ARG A 68 5.602 8.575 -11.141 1.00 0.00 C ATOM 1000 CD ARG A 68 5.810 9.915 -11.914 1.00 0.00 C ATOM 1001 NE ARG A 68 6.098 11.008 -10.900 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.254 11.575 -10.832 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.269 10.829 -11.006 1.00 0.00 N ATOM 1004 NH2 ARG A 68 7.359 12.821 -10.599 1.00 0.00 N ATOM 0 H ARG A 68 3.052 8.768 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 68 3.750 6.694 -10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.550 9.108 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.669 9.507 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.507 8.310 -10.594 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.402 7.763 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.636 9.823 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.921 10.160 -12.495 1.00 0.00 H new ATOM 0 HE ARG A 68 5.361 11.300 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.145 9.833 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.207 11.226 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.521 13.387 -10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.281 13.254 -10.548 1.00 0.00 H new ATOM 1018 N VAL A 69 5.516 5.556 -8.932 1.00 0.00 N ATOM 1019 CA VAL A 69 6.614 4.811 -8.213 1.00 0.00 C ATOM 1020 C VAL A 69 7.767 4.518 -9.179 1.00 0.00 C ATOM 1021 O VAL A 69 7.588 3.936 -10.236 1.00 0.00 O ATOM 1022 CB VAL A 69 6.124 3.440 -7.656 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.285 2.802 -6.842 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.930 3.613 -6.722 1.00 0.00 C ATOM 0 H VAL A 69 5.059 5.020 -9.670 1.00 0.00 H new ATOM 0 HA VAL A 69 6.933 5.447 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 69 5.824 2.812 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.964 1.840 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.147 2.655 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.559 3.463 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.614 2.638 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.214 4.246 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.108 4.079 -7.265 1.00 0.00 H new ATOM 1034 N THR A 70 8.912 4.949 -8.716 1.00 0.00 N ATOM 1035 CA THR A 70 10.204 4.791 -9.479 1.00 0.00 C ATOM 1036 C THR A 70 11.263 4.048 -8.654 1.00 0.00 C ATOM 1037 O THR A 70 11.277 4.158 -7.442 1.00 0.00 O ATOM 1038 CB THR A 70 10.726 6.200 -9.867 1.00 0.00 C ATOM 1039 OG1 THR A 70 9.982 6.579 -11.012 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.167 6.181 -10.390 1.00 0.00 C ATOM 0 H THR A 70 9.016 5.418 -7.816 1.00 0.00 H new ATOM 0 HA THR A 70 10.012 4.196 -10.372 1.00 0.00 H new ATOM 0 HB THR A 70 10.649 6.839 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.267 7.469 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.475 7.195 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.828 5.783 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.224 5.551 -11.278 1.00 0.00 H new ATOM 1048 N ASN A 71 12.108 3.326 -9.347 1.00 0.00 N ATOM 1049 CA ASN A 71 13.209 2.537 -8.701 1.00 0.00 C ATOM 1050 C ASN A 71 14.668 3.047 -8.967 1.00 0.00 C ATOM 1051 O ASN A 71 15.179 2.854 -10.053 1.00 0.00 O ATOM 1052 CB ASN A 71 13.049 1.092 -9.193 1.00 0.00 C ATOM 1053 CG ASN A 71 14.086 0.224 -8.495 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.352 0.346 -7.326 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.725 -0.680 -9.139 1.00 0.00 N ATOM 0 H ASN A 71 12.081 3.247 -10.364 1.00 0.00 H new ATOM 0 HA ASN A 71 13.101 2.643 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.044 0.728 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.181 1.044 -10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.419 -1.253 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.540 -0.827 -10.131 1.00 0.00 H new ATOM 1062 N PRO A 72 15.316 3.658 -7.996 1.00 0.00 N ATOM 1063 CA PRO A 72 16.672 4.275 -8.204 1.00 0.00 C ATOM 1064 C PRO A 72 17.719 3.295 -8.793 1.00 0.00 C ATOM 1065 O PRO A 72 18.722 3.692 -9.358 1.00 0.00 O ATOM 1066 CB PRO A 72 17.101 4.804 -6.827 1.00 0.00 C ATOM 1067 CG PRO A 72 15.950 4.482 -5.820 1.00 0.00 C ATOM 1068 CD PRO A 72 14.807 3.792 -6.592 1.00 0.00 C ATOM 0 HA PRO A 72 16.612 5.069 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.031 4.334 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.284 5.878 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.314 3.834 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.591 5.397 -5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.572 2.818 -6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.893 4.385 -6.558 1.00 0.00 H new ATOM 1076 N ALA A 73 17.437 2.029 -8.609 1.00 0.00 N ATOM 1077 CA ALA A 73 18.331 0.946 -9.101 1.00 0.00 C ATOM 1078 C ALA A 73 18.055 0.517 -10.559 1.00 0.00 C ATOM 1079 O ALA A 73 19.002 0.383 -11.310 1.00 0.00 O ATOM 1080 CB ALA A 73 18.167 -0.250 -8.137 1.00 0.00 C ATOM 0 H ALA A 73 16.602 1.697 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 73 19.355 1.321 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.808 -1.070 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.450 0.054 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.128 -0.579 -8.139 1.00 0.00 H new ATOM 1086 N THR A 74 16.821 0.314 -10.949 1.00 0.00 N ATOM 1087 CA THR A 74 16.581 -0.109 -12.387 1.00 0.00 C ATOM 1088 C THR A 74 16.096 1.051 -13.246 1.00 0.00 C ATOM 1089 O THR A 74 15.867 0.885 -14.429 1.00 0.00 O ATOM 1090 CB THR A 74 15.516 -1.289 -12.447 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.293 -0.892 -11.842 1.00 0.00 O ATOM 1092 CG2 THR A 74 15.986 -2.441 -11.552 1.00 0.00 C ATOM 0 H THR A 74 15.989 0.415 -10.368 1.00 0.00 H new ATOM 0 HA THR A 74 17.536 -0.453 -12.785 1.00 0.00 H new ATOM 0 HB THR A 74 15.400 -1.559 -13.497 1.00 0.00 H new ATOM 0 HG1 THR A 74 13.766 -1.687 -11.617 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.259 -3.252 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.952 -2.803 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.082 -2.088 -10.525 1.00 0.00 H new ATOM 1100 N GLY A 75 15.943 2.195 -12.621 1.00 0.00 N ATOM 1101 CA GLY A 75 15.473 3.432 -13.334 1.00 0.00 C ATOM 1102 C GLY A 75 14.067 3.213 -13.882 1.00 0.00 C ATOM 1103 O GLY A 75 13.520 4.053 -14.564 1.00 0.00 O ATOM 0 H GLY A 75 16.127 2.328 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.478 4.281 -12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.156 3.675 -14.148 1.00 0.00 H new ATOM 1107 N ALA A 76 13.512 2.079 -13.552 1.00 0.00 N ATOM 1108 CA ALA A 76 12.160 1.748 -14.026 1.00 0.00 C ATOM 1109 C ALA A 76 11.136 2.481 -13.144 1.00 0.00 C ATOM 1110 O ALA A 76 11.384 2.806 -11.991 1.00 0.00 O ATOM 1111 CB ALA A 76 12.075 0.217 -13.948 1.00 0.00 C ATOM 0 H ALA A 76 13.951 1.367 -12.968 1.00 0.00 H new ATOM 0 HA ALA A 76 11.947 2.066 -15.046 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.092 -0.111 -14.286 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.843 -0.223 -14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.230 -0.104 -12.918 1.00 0.00 H new ATOM 1117 N GLN A 77 10.027 2.708 -13.785 1.00 0.00 N ATOM 1118 CA GLN A 77 8.865 3.405 -13.176 1.00 0.00 C ATOM 1119 C GLN A 77 7.512 2.868 -13.662 1.00 0.00 C ATOM 1120 O GLN A 77 7.350 2.448 -14.789 1.00 0.00 O ATOM 1121 CB GLN A 77 9.075 4.902 -13.513 1.00 0.00 C ATOM 1122 CG GLN A 77 7.761 5.758 -13.471 1.00 0.00 C ATOM 1123 CD GLN A 77 7.113 5.855 -14.867 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.415 5.158 -15.805 1.00 0.00 O ATOM 1125 NE2 GLN A 77 6.189 6.730 -15.069 1.00 0.00 N ATOM 0 H GLN A 77 9.874 2.424 -14.753 1.00 0.00 H new ATOM 0 HA GLN A 77 8.824 3.237 -12.100 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.794 5.324 -12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.516 4.981 -14.507 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.056 5.312 -12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.987 6.758 -13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.895 7.345 -14.311 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.752 6.807 -15.987 1.00 0.00 H new ATOM 1134 N ILE A 78 6.573 2.900 -12.756 1.00 0.00 N ATOM 1135 CA ILE A 78 5.175 2.433 -13.031 1.00 0.00 C ATOM 1136 C ILE A 78 4.157 3.440 -12.393 1.00 0.00 C ATOM 1137 O ILE A 78 4.531 4.194 -11.504 1.00 0.00 O ATOM 1138 CB ILE A 78 5.125 1.002 -12.442 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.237 0.101 -13.321 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.607 0.984 -10.989 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.014 -0.321 -14.602 1.00 0.00 C ATOM 0 H ILE A 78 6.718 3.241 -11.806 1.00 0.00 H new ATOM 0 HA ILE A 78 4.903 2.401 -14.086 1.00 0.00 H new ATOM 0 HB ILE A 78 6.146 0.622 -12.431 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.934 -0.784 -12.761 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.325 0.631 -13.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.591 -0.042 -10.621 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.265 1.584 -10.361 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.599 1.397 -10.957 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.380 -0.958 -15.219 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.294 0.568 -15.167 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.913 -0.869 -14.319 1.00 0.00 H new ATOM 1153 N THR A 79 2.917 3.426 -12.830 1.00 0.00 N ATOM 1154 CA THR A 79 1.884 4.381 -12.248 1.00 0.00 C ATOM 1155 C THR A 79 0.914 3.606 -11.326 1.00 0.00 C ATOM 1156 O THR A 79 0.238 2.707 -11.793 1.00 0.00 O ATOM 1157 CB THR A 79 1.006 5.031 -13.353 1.00 0.00 C ATOM 1158 OG1 THR A 79 1.805 5.670 -14.330 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.250 6.248 -12.827 1.00 0.00 C ATOM 0 H THR A 79 2.567 2.804 -13.558 1.00 0.00 H new ATOM 0 HA THR A 79 2.440 5.149 -11.710 1.00 0.00 H new ATOM 0 HB THR A 79 0.381 4.213 -13.712 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.245 5.933 -15.090 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.353 6.676 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.400 5.946 -12.006 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.962 6.993 -12.471 1.00 0.00 H new ATOM 1167 N ALA A 80 0.815 3.912 -10.059 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.132 3.150 -9.162 1.00 0.00 C ATOM 1169 C ALA A 80 -1.396 3.995 -8.818 1.00 0.00 C ATOM 1170 O ALA A 80 -1.433 5.186 -9.040 1.00 0.00 O ATOM 1171 CB ALA A 80 0.672 2.763 -7.884 1.00 0.00 C ATOM 0 H ALA A 80 1.343 4.653 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.504 2.256 -9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.027 2.208 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.523 2.143 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.029 3.667 -7.391 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.395 3.362 -8.273 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.677 4.051 -7.901 1.00 0.00 C ATOM 1179 C ARG A 81 -3.938 4.163 -6.381 1.00 0.00 C ATOM 1180 O ARG A 81 -3.627 3.234 -5.668 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.756 3.226 -8.645 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.117 3.978 -8.715 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.933 3.464 -9.932 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.015 1.951 -9.816 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.232 1.152 -10.468 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.291 1.634 -11.146 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.354 -0.125 -10.454 1.00 0.00 N ATOM 0 H ARG A 81 -2.382 2.364 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.663 5.101 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.411 3.005 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.895 2.270 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.679 3.820 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.947 5.051 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.931 3.903 -9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.452 3.752 -10.867 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.718 1.547 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.151 2.644 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.667 1.016 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.098 -0.560 -9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.707 -0.705 -10.988 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.480 5.278 -5.946 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.778 5.464 -4.484 1.00 0.00 C ATOM 1203 C ILE A 82 -6.201 4.946 -4.263 1.00 0.00 C ATOM 1204 O ILE A 82 -7.152 5.571 -4.698 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.686 6.976 -4.092 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.246 7.448 -4.394 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.989 7.131 -2.566 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.069 8.943 -4.099 1.00 0.00 C ATOM 0 H ILE A 82 -4.730 6.069 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.059 4.925 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.406 7.571 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.540 6.872 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.010 7.252 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.926 8.183 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.991 6.759 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.261 6.559 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.044 9.239 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.757 9.520 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.280 9.134 -3.047 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.294 3.811 -3.622 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.625 3.168 -3.322 1.00 0.00 C ATOM 1222 C VAL A 83 -7.892 2.999 -1.807 1.00 0.00 C ATOM 1223 O VAL A 83 -8.855 3.464 -1.226 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.626 1.787 -4.029 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.943 1.061 -3.764 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.444 1.931 -5.542 1.00 0.00 C ATOM 0 H VAL A 83 -5.489 3.284 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.424 3.813 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.791 1.215 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.932 0.093 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.067 0.913 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.771 1.658 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.450 0.944 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.259 2.528 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.494 2.423 -5.749 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.971 2.306 -1.215 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.007 1.990 0.249 1.00 0.00 C ATOM 1238 C ASP A 84 -6.136 2.791 1.270 1.00 0.00 C ATOM 1239 O ASP A 84 -5.457 3.770 1.002 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.702 0.426 0.328 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.006 -0.083 -0.952 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -4.789 -0.029 -0.981 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.771 -0.475 -1.818 1.00 0.00 O ATOM 0 H ASP A 84 -6.157 1.926 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.987 2.316 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.070 0.221 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.634 -0.120 0.478 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.244 2.281 2.474 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.522 2.828 3.672 1.00 0.00 C ATOM 1250 C GLN A 85 -4.605 1.722 4.293 1.00 0.00 C ATOM 1251 O GLN A 85 -4.715 0.555 3.978 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.580 3.267 4.705 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.998 4.340 5.690 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.734 4.406 7.035 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.816 4.937 7.169 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.178 3.866 8.078 1.00 0.00 N ATOM 0 H GLN A 85 -6.829 1.472 2.685 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.898 3.673 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.449 3.676 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.924 2.400 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.946 4.121 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.042 5.319 5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.268 3.413 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.651 3.895 8.981 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.725 2.109 5.176 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.775 1.170 5.875 1.00 0.00 C ATOM 1267 C CYS A 86 -3.000 1.240 7.411 1.00 0.00 C ATOM 1268 O CYS A 86 -3.721 2.102 7.880 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.354 1.604 5.477 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.134 3.391 5.328 1.00 0.00 S ATOM 0 H CYS A 86 -3.615 3.083 5.459 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.938 0.132 5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.650 1.224 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.098 1.138 4.525 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.403 0.347 8.158 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.572 0.346 9.661 1.00 0.00 C ATOM 1277 C ALA A 87 -1.339 -0.221 10.388 1.00 0.00 C ATOM 1278 O ALA A 87 -0.709 0.381 11.233 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.820 -0.498 10.004 1.00 0.00 C ATOM 0 H ALA A 87 -1.799 -0.391 7.797 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.690 1.376 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.963 -0.514 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.697 -0.060 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.681 -1.517 9.642 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.085 -1.423 9.971 1.00 0.00 N ATOM 1286 CA ASN A 88 0.044 -2.264 10.469 1.00 0.00 C ATOM 1287 C ASN A 88 1.080 -2.469 9.344 1.00 0.00 C ATOM 1288 O ASN A 88 2.266 -2.355 9.571 1.00 0.00 O ATOM 1289 CB ASN A 88 -0.604 -3.583 10.960 1.00 0.00 C ATOM 1290 CG ASN A 88 -1.551 -4.098 9.880 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -1.156 -4.627 8.869 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -2.827 -3.960 10.019 1.00 0.00 N ATOM 0 H ASN A 88 -1.649 -1.889 9.260 1.00 0.00 H new ATOM 0 HA ASN A 88 0.596 -1.802 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.165 -4.325 11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.148 -3.413 11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.458 -4.292 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.204 -3.519 10.858 1.00 0.00 H new ATOM 1299 N GLY A 89 0.606 -2.766 8.163 1.00 0.00 N ATOM 1300 CA GLY A 89 1.507 -2.989 6.981 1.00 0.00 C ATOM 1301 C GLY A 89 1.574 -1.771 6.042 1.00 0.00 C ATOM 1302 O GLY A 89 0.930 -0.759 6.260 1.00 0.00 O ATOM 0 H GLY A 89 -0.388 -2.867 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.511 -3.225 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.155 -3.855 6.420 1.00 0.00 H new ATOM 1306 N GLY A 90 2.375 -1.948 5.025 1.00 0.00 N ATOM 1307 CA GLY A 90 2.611 -0.898 3.970 1.00 0.00 C ATOM 1308 C GLY A 90 2.288 -1.448 2.578 1.00 0.00 C ATOM 1309 O GLY A 90 2.073 -2.634 2.452 1.00 0.00 O ATOM 0 H GLY A 90 2.899 -2.809 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.992 -0.025 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.649 -0.568 4.004 1.00 0.00 H new ATOM 1313 N LEU A 91 2.272 -0.566 1.604 1.00 0.00 N ATOM 1314 CA LEU A 91 1.977 -0.920 0.156 1.00 0.00 C ATOM 1315 C LEU A 91 1.688 -2.424 -0.114 1.00 0.00 C ATOM 1316 O LEU A 91 2.604 -3.212 -0.267 1.00 0.00 O ATOM 1317 CB LEU A 91 3.183 -0.483 -0.742 1.00 0.00 C ATOM 1318 CG LEU A 91 3.575 1.005 -0.543 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.844 1.291 -1.395 1.00 0.00 C ATOM 1320 CD2 LEU A 91 2.440 1.929 -1.061 1.00 0.00 C ATOM 0 H LEU A 91 2.458 0.426 1.751 1.00 0.00 H new ATOM 0 HA LEU A 91 1.060 -0.384 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.044 -1.113 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.929 -0.650 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 91 3.751 1.194 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.139 2.333 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.656 0.643 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.628 1.098 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.725 2.971 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.274 1.742 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.523 1.724 -0.509 1.00 0.00 H new ATOM 1332 N ASP A 92 0.428 -2.762 -0.162 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.015 -4.169 -0.408 1.00 0.00 C ATOM 1334 C ASP A 92 -0.415 -4.596 -1.859 1.00 0.00 C ATOM 1335 O ASP A 92 -0.006 -5.654 -2.303 1.00 0.00 O ATOM 1336 CB ASP A 92 -1.174 -4.397 0.610 1.00 0.00 C ATOM 1337 CG ASP A 92 -2.076 -3.183 0.786 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -1.638 -2.262 1.459 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -3.152 -3.271 0.228 1.00 0.00 O ATOM 0 H ASP A 92 -0.338 -2.101 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 92 0.853 -4.814 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.777 -5.243 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.750 -4.668 1.577 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.169 -3.831 -2.618 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.526 -4.292 -3.998 1.00 0.00 C ATOM 1346 C LEU A 93 -0.361 -3.958 -4.965 1.00 0.00 C ATOM 1347 O LEU A 93 -0.537 -3.649 -6.123 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.837 -3.569 -4.433 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.963 -3.607 -3.346 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.956 -2.317 -2.500 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.327 -3.622 -4.016 1.00 0.00 C ATOM 0 H LEU A 93 -1.546 -2.923 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.688 -5.370 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.608 -2.530 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.210 -4.030 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.782 -4.492 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.747 -2.368 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.992 -2.214 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.124 -1.456 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.106 -3.648 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.444 -2.725 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.411 -4.504 -4.651 1.00 0.00 H new ATOM 1363 N ASP A 94 0.823 -4.001 -4.415 1.00 0.00 N ATOM 1364 CA ASP A 94 2.101 -3.734 -5.126 1.00 0.00 C ATOM 1365 C ASP A 94 2.735 -5.018 -5.756 1.00 0.00 C ATOM 1366 O ASP A 94 2.946 -5.091 -6.942 1.00 0.00 O ATOM 1367 CB ASP A 94 3.027 -3.040 -4.081 1.00 0.00 C ATOM 1368 CG ASP A 94 4.098 -3.976 -3.546 1.00 0.00 C ATOM 1369 OD1 ASP A 94 3.789 -4.701 -2.622 1.00 0.00 O ATOM 1370 OD2 ASP A 94 5.148 -3.874 -4.149 1.00 0.00 O ATOM 0 H ASP A 94 0.958 -4.228 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 94 1.939 -3.090 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.502 -2.173 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.423 -2.671 -3.252 1.00 0.00 H new ATOM 1375 N TRP A 95 3.021 -5.971 -4.909 1.00 0.00 N ATOM 1376 CA TRP A 95 3.639 -7.291 -5.262 1.00 0.00 C ATOM 1377 C TRP A 95 3.822 -7.661 -6.742 1.00 0.00 C ATOM 1378 O TRP A 95 4.916 -7.693 -7.263 1.00 0.00 O ATOM 1379 CB TRP A 95 2.813 -8.401 -4.596 1.00 0.00 C ATOM 1380 CG TRP A 95 3.585 -9.727 -4.821 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.824 -9.988 -4.306 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.192 -10.785 -5.572 1.00 0.00 C ATOM 1383 NE1 TRP A 95 5.093 -11.189 -4.788 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.178 -11.743 -5.553 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.047 -11.025 -6.298 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 4.047 -12.925 -6.241 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.902 -12.210 -6.997 1.00 0.00 C ATOM 1388 CH2 TRP A 95 2.901 -13.160 -6.969 1.00 0.00 C ATOM 0 H TRP A 95 2.836 -5.879 -3.910 1.00 0.00 H new ATOM 0 HA TRP A 95 4.662 -7.188 -4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.686 -8.203 -3.532 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.815 -8.455 -5.032 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.432 -9.367 -3.665 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.970 -11.664 -4.576 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.260 -10.286 -6.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.835 -13.663 -6.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.003 -12.392 -7.567 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.786 -14.084 -7.515 1.00 0.00 H new ATOM 1399 N ASP A 96 2.703 -7.916 -7.347 1.00 0.00 N ATOM 1400 CA ASP A 96 2.648 -8.306 -8.780 1.00 0.00 C ATOM 1401 C ASP A 96 2.597 -7.122 -9.721 1.00 0.00 C ATOM 1402 O ASP A 96 3.183 -7.119 -10.790 1.00 0.00 O ATOM 1403 CB ASP A 96 1.420 -9.201 -8.947 1.00 0.00 C ATOM 1404 CG ASP A 96 0.109 -8.678 -8.343 1.00 0.00 C ATOM 1405 OD1 ASP A 96 0.087 -7.724 -7.579 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -0.848 -9.331 -8.706 1.00 0.00 O ATOM 0 H ASP A 96 1.791 -7.869 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 96 3.564 -8.832 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.262 -9.370 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.640 -10.170 -8.500 1.00 0.00 H new ATOM 1411 N THR A 97 1.881 -6.136 -9.281 1.00 0.00 N ATOM 1412 CA THR A 97 1.711 -4.876 -10.076 1.00 0.00 C ATOM 1413 C THR A 97 3.033 -4.069 -10.201 1.00 0.00 C ATOM 1414 O THR A 97 3.538 -3.854 -11.289 1.00 0.00 O ATOM 1415 CB THR A 97 0.602 -4.005 -9.390 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.197 -3.468 -8.222 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.477 -4.863 -8.678 1.00 0.00 C ATOM 0 H THR A 97 1.392 -6.140 -8.386 1.00 0.00 H new ATOM 0 HA THR A 97 1.417 -5.144 -11.091 1.00 0.00 H new ATOM 0 HB THR A 97 0.209 -3.341 -10.160 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.630 -3.664 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.219 -4.208 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.965 -5.512 -9.406 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.006 -5.473 -7.907 1.00 0.00 H new ATOM 1425 N VAL A 98 3.510 -3.617 -9.075 1.00 0.00 N ATOM 1426 CA VAL A 98 4.763 -2.823 -8.942 1.00 0.00 C ATOM 1427 C VAL A 98 6.034 -3.648 -8.721 1.00 0.00 C ATOM 1428 O VAL A 98 6.850 -3.759 -9.609 1.00 0.00 O ATOM 1429 CB VAL A 98 4.573 -1.803 -7.782 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.818 -0.860 -7.706 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.304 -0.939 -8.048 1.00 0.00 C ATOM 0 H VAL A 98 3.046 -3.780 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 98 4.922 -2.325 -9.899 1.00 0.00 H new ATOM 0 HB VAL A 98 4.461 -2.346 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.684 -0.146 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.714 -1.454 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.925 -0.322 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.173 -0.225 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.421 -0.400 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.429 -1.586 -8.108 1.00 0.00 H new ATOM 1441 N PHE A 99 6.171 -4.212 -7.546 1.00 0.00 N ATOM 1442 CA PHE A 99 7.385 -5.035 -7.192 1.00 0.00 C ATOM 1443 C PHE A 99 7.954 -5.912 -8.333 1.00 0.00 C ATOM 1444 O PHE A 99 8.917 -5.512 -8.967 1.00 0.00 O ATOM 1445 CB PHE A 99 7.004 -5.897 -5.938 1.00 0.00 C ATOM 1446 CG PHE A 99 8.235 -6.077 -5.045 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.712 -5.007 -4.314 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.895 -7.287 -4.974 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.840 -5.148 -3.523 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.016 -7.429 -4.192 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.494 -6.361 -3.464 1.00 0.00 C ATOM 0 H PHE A 99 5.482 -4.139 -6.798 1.00 0.00 H new ATOM 0 HA PHE A 99 8.204 -4.347 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.205 -5.410 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.626 -6.869 -6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.203 -4.056 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.527 -8.131 -5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.208 -4.308 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.524 -8.381 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.376 -6.473 -2.851 1.00 0.00 H new ATOM 1461 N THR A 100 7.369 -7.059 -8.621 1.00 0.00 N ATOM 1462 CA THR A 100 7.935 -7.929 -9.745 1.00 0.00 C ATOM 1463 C THR A 100 8.041 -7.185 -11.071 1.00 0.00 C ATOM 1464 O THR A 100 8.674 -7.668 -11.989 1.00 0.00 O ATOM 1465 CB THR A 100 7.062 -9.241 -10.058 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.386 -9.119 -11.308 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.871 -9.334 -9.205 1.00 0.00 C ATOM 0 H THR A 100 6.546 -7.433 -8.148 1.00 0.00 H new ATOM 0 HA THR A 100 8.916 -8.208 -9.361 1.00 0.00 H new ATOM 0 HB THR A 100 7.781 -10.054 -9.961 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.863 -9.930 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.314 -10.237 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.175 -9.373 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.238 -8.461 -9.367 1.00 0.00 H new ATOM 1475 N LYS A 101 7.444 -6.023 -11.165 1.00 0.00 N ATOM 1476 CA LYS A 101 7.516 -5.268 -12.450 1.00 0.00 C ATOM 1477 C LYS A 101 8.685 -4.265 -12.537 1.00 0.00 C ATOM 1478 O LYS A 101 9.311 -4.137 -13.568 1.00 0.00 O ATOM 1479 CB LYS A 101 6.185 -4.523 -12.650 1.00 0.00 C ATOM 1480 CG LYS A 101 5.110 -5.570 -13.103 1.00 0.00 C ATOM 1481 CD LYS A 101 5.181 -5.815 -14.632 1.00 0.00 C ATOM 1482 CE LYS A 101 4.174 -4.943 -15.432 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.239 -3.523 -14.946 1.00 0.00 N ATOM 0 H LYS A 101 6.917 -5.571 -10.418 1.00 0.00 H new ATOM 0 HA LYS A 101 7.698 -6.000 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.877 -4.036 -11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.295 -3.740 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.267 -6.510 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.115 -5.214 -12.834 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.192 -5.606 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.984 -6.868 -14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.407 -4.985 -16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.163 -5.333 -15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.577 -2.938 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.980 -3.488 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.205 -3.158 -15.068 1.00 0.00 H new ATOM 1497 N ILE A 102 8.967 -3.572 -11.474 1.00 0.00 N ATOM 1498 CA ILE A 102 10.090 -2.583 -11.494 1.00 0.00 C ATOM 1499 C ILE A 102 11.392 -3.317 -11.109 1.00 0.00 C ATOM 1500 O ILE A 102 12.491 -2.917 -11.477 1.00 0.00 O ATOM 1501 CB ILE A 102 9.750 -1.430 -10.497 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.457 -1.992 -9.083 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.457 -0.704 -11.013 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.178 -1.138 -8.020 1.00 0.00 C ATOM 0 H ILE A 102 8.470 -3.644 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 102 10.227 -2.146 -12.483 1.00 0.00 H new ATOM 0 HB ILE A 102 10.599 -0.748 -10.439 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.383 -1.990 -8.897 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.790 -3.028 -9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.199 0.107 -10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.640 -0.298 -12.008 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.633 -1.416 -11.058 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.968 -1.538 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.253 -1.163 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.824 -0.109 -8.078 1.00 0.00 H new ATOM 1516 N ASP A 103 11.216 -4.395 -10.385 1.00 0.00 N ATOM 1517 CA ASP A 103 12.364 -5.221 -9.926 1.00 0.00 C ATOM 1518 C ASP A 103 12.989 -6.207 -10.900 1.00 0.00 C ATOM 1519 O ASP A 103 13.317 -7.326 -10.552 1.00 0.00 O ATOM 1520 CB ASP A 103 11.892 -5.946 -8.693 1.00 0.00 C ATOM 1521 CG ASP A 103 11.575 -4.998 -7.569 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.611 -3.800 -7.757 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.316 -5.570 -6.547 1.00 0.00 O ATOM 0 H ASP A 103 10.303 -4.740 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 103 13.185 -4.522 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.005 -6.532 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.660 -6.649 -8.369 1.00 0.00 H new ATOM 1528 N THR A 104 13.135 -5.742 -12.106 1.00 0.00 N ATOM 1529 CA THR A 104 13.759 -6.557 -13.217 1.00 0.00 C ATOM 1530 C THR A 104 14.751 -7.589 -12.624 1.00 0.00 C ATOM 1531 O THR A 104 14.592 -8.784 -12.764 1.00 0.00 O ATOM 1532 CB THR A 104 14.473 -5.578 -14.123 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.119 -4.753 -13.161 1.00 0.00 O ATOM 1534 CG2 THR A 104 13.478 -4.637 -14.818 1.00 0.00 C ATOM 0 H THR A 104 12.844 -4.806 -12.389 1.00 0.00 H new ATOM 0 HA THR A 104 13.007 -7.116 -13.774 1.00 0.00 H new ATOM 0 HB THR A 104 15.082 -6.078 -14.876 1.00 0.00 H new ATOM 0 HG1 THR A 104 15.864 -4.278 -13.585 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.021 -3.945 -15.462 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.782 -5.223 -15.419 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.924 -4.074 -14.067 1.00 0.00 H new ATOM 1542 N ASN A 105 15.751 -7.058 -11.975 1.00 0.00 N ATOM 1543 CA ASN A 105 16.832 -7.859 -11.302 1.00 0.00 C ATOM 1544 C ASN A 105 16.865 -7.466 -9.781 1.00 0.00 C ATOM 1545 O ASN A 105 17.899 -7.439 -9.142 1.00 0.00 O ATOM 1546 CB ASN A 105 18.147 -7.496 -12.014 1.00 0.00 C ATOM 1547 CG ASN A 105 18.512 -6.058 -11.657 1.00 0.00 C ATOM 1548 OD1 ASN A 105 18.157 -5.095 -12.296 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.235 -5.868 -10.607 1.00 0.00 N ATOM 0 H ASN A 105 15.873 -6.050 -11.876 1.00 0.00 H new ATOM 0 HA ASN A 105 16.666 -8.935 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.943 -8.175 -11.709 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.035 -7.601 -13.093 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.495 -4.921 -10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.547 -6.665 -10.051 1.00 0.00 H new ATOM 1556 N GLY A 106 15.713 -7.200 -9.236 1.00 0.00 N ATOM 1557 CA GLY A 106 15.563 -6.783 -7.803 1.00 0.00 C ATOM 1558 C GLY A 106 15.190 -7.879 -6.842 1.00 0.00 C ATOM 1559 O GLY A 106 14.157 -7.878 -6.209 1.00 0.00 O ATOM 0 H GLY A 106 14.829 -7.255 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.502 -6.339 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.804 -6.002 -7.748 1.00 0.00 H new ATOM 1563 N ILE A 107 16.106 -8.799 -6.772 1.00 0.00 N ATOM 1564 CA ILE A 107 16.057 -10.014 -5.908 1.00 0.00 C ATOM 1565 C ILE A 107 15.661 -9.695 -4.423 1.00 0.00 C ATOM 1566 O ILE A 107 15.470 -10.594 -3.620 1.00 0.00 O ATOM 1567 CB ILE A 107 17.460 -10.680 -6.014 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.120 -10.586 -7.449 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.332 -12.172 -5.626 1.00 0.00 C ATOM 1570 CD1 ILE A 107 17.168 -10.941 -8.623 1.00 0.00 C ATOM 0 H ILE A 107 16.960 -8.751 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 107 15.275 -10.691 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 107 18.113 -10.130 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.495 -9.573 -7.596 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.981 -11.253 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.309 -12.651 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 107 16.961 -12.252 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 107 16.636 -12.666 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 107 17.705 -10.849 -9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 107 16.812 -11.964 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 107 16.318 -10.259 -8.621 1.00 0.00 H new ATOM 1582 N GLY A 108 15.579 -8.405 -4.132 1.00 0.00 N ATOM 1583 CA GLY A 108 15.205 -7.777 -2.798 1.00 0.00 C ATOM 1584 C GLY A 108 14.386 -8.734 -1.953 1.00 0.00 C ATOM 1585 O GLY A 108 14.508 -8.792 -0.752 1.00 0.00 O ATOM 0 H GLY A 108 15.777 -7.696 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.110 -7.495 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.638 -6.862 -2.970 1.00 0.00 H new ATOM 1589 N TYR A 109 13.542 -9.432 -2.659 1.00 0.00 N ATOM 1590 CA TYR A 109 12.628 -10.466 -2.088 1.00 0.00 C ATOM 1591 C TYR A 109 13.291 -11.214 -0.884 1.00 0.00 C ATOM 1592 O TYR A 109 12.712 -11.355 0.176 1.00 0.00 O ATOM 1593 CB TYR A 109 12.291 -11.435 -3.243 1.00 0.00 C ATOM 1594 CG TYR A 109 11.488 -12.654 -2.759 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.172 -12.520 -2.362 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.072 -13.906 -2.717 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.453 -13.618 -1.933 1.00 0.00 C ATOM 1598 CE2 TYR A 109 11.346 -15.003 -2.286 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.032 -14.863 -1.892 1.00 0.00 C ATOM 1600 OH TYR A 109 9.285 -15.941 -1.463 1.00 0.00 O ATOM 0 H TYR A 109 13.443 -9.321 -3.668 1.00 0.00 H new ATOM 0 HA TYR A 109 11.723 -10.009 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.720 -10.905 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.214 -11.773 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.701 -11.548 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.101 -14.029 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.425 -13.497 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.813 -15.977 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 109 9.834 -16.752 -1.492 1.00 0.00 H new ATOM 1610 N GLN A 110 14.507 -11.659 -1.118 1.00 0.00 N ATOM 1611 CA GLN A 110 15.302 -12.408 -0.073 1.00 0.00 C ATOM 1612 C GLN A 110 15.402 -11.626 1.261 1.00 0.00 C ATOM 1613 O GLN A 110 15.456 -12.211 2.320 1.00 0.00 O ATOM 1614 CB GLN A 110 16.741 -12.692 -0.612 1.00 0.00 C ATOM 1615 CG GLN A 110 17.437 -13.739 0.356 1.00 0.00 C ATOM 1616 CD GLN A 110 18.897 -14.021 -0.008 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.263 -14.177 -1.150 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.789 -14.107 0.926 1.00 0.00 N ATOM 0 H GLN A 110 14.995 -11.534 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 110 14.777 -13.342 0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.695 -13.085 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.320 -11.769 -0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.390 -13.365 1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.877 -14.674 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.520 -13.981 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.761 -14.300 0.686 1.00 0.00 H new ATOM 1627 N GLN A 111 15.428 -10.329 1.149 1.00 0.00 N ATOM 1628 CA GLN A 111 15.523 -9.414 2.331 1.00 0.00 C ATOM 1629 C GLN A 111 14.094 -9.053 2.784 1.00 0.00 C ATOM 1630 O GLN A 111 13.789 -8.991 3.960 1.00 0.00 O ATOM 1631 CB GLN A 111 16.293 -8.131 1.911 1.00 0.00 C ATOM 1632 CG GLN A 111 17.684 -8.466 1.277 1.00 0.00 C ATOM 1633 CD GLN A 111 18.555 -9.319 2.196 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.796 -9.021 3.342 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.086 -10.418 1.771 1.00 0.00 N ATOM 0 H GLN A 111 15.386 -9.843 0.253 1.00 0.00 H new ATOM 0 HA GLN A 111 16.054 -9.895 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.695 -7.566 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.436 -7.492 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.533 -8.992 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.207 -7.538 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.922 -10.727 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.669 -10.977 2.394 1.00 0.00 H new ATOM 1644 N GLY A 112 13.255 -8.807 1.814 1.00 0.00 N ATOM 1645 CA GLY A 112 11.817 -8.444 2.119 1.00 0.00 C ATOM 1646 C GLY A 112 11.506 -6.970 1.962 1.00 0.00 C ATOM 1647 O GLY A 112 10.381 -6.539 2.109 1.00 0.00 O ATOM 0 H GLY A 112 13.491 -8.838 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.162 -9.015 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.586 -8.747 3.140 1.00 0.00 H new ATOM 1651 N HIS A 113 12.521 -6.215 1.698 1.00 0.00 N ATOM 1652 CA HIS A 113 12.373 -4.739 1.507 1.00 0.00 C ATOM 1653 C HIS A 113 13.247 -4.188 0.392 1.00 0.00 C ATOM 1654 O HIS A 113 14.348 -4.639 0.163 1.00 0.00 O ATOM 1655 CB HIS A 113 12.698 -3.987 2.855 1.00 0.00 C ATOM 1656 CG HIS A 113 13.077 -4.935 3.971 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.250 -5.805 4.448 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.236 -5.107 4.685 1.00 0.00 C ATOM 1659 CE1 HIS A 113 12.834 -6.478 5.392 1.00 0.00 C ATOM 1660 NE2 HIS A 113 14.068 -6.076 5.567 1.00 0.00 N ATOM 0 H HIS A 113 13.477 -6.559 1.602 1.00 0.00 H new ATOM 0 HA HIS A 113 11.338 -4.565 1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 113 13.514 -3.284 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.830 -3.402 3.159 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.144 -4.539 4.547 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.363 -7.267 5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 113 14.749 -6.433 6.237 1.00 0.00 H new ATOM 1668 N LEU A 114 12.722 -3.208 -0.271 1.00 0.00 N ATOM 1669 CA LEU A 114 13.423 -2.541 -1.397 1.00 0.00 C ATOM 1670 C LEU A 114 13.427 -1.025 -1.133 1.00 0.00 C ATOM 1671 O LEU A 114 12.672 -0.530 -0.311 1.00 0.00 O ATOM 1672 CB LEU A 114 12.644 -2.942 -2.664 1.00 0.00 C ATOM 1673 CG LEU A 114 13.303 -2.433 -3.962 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.605 -3.217 -4.219 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.343 -2.742 -5.096 1.00 0.00 C ATOM 0 H LEU A 114 11.798 -2.825 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 114 14.466 -2.836 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.563 -4.028 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.629 -2.549 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 114 13.523 -1.368 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.071 -2.858 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.289 -3.071 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.377 -4.278 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.770 -2.398 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.173 -3.818 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.395 -2.233 -4.920 1.00 0.00 H new ATOM 1687 N ASN A 115 14.268 -0.330 -1.857 1.00 0.00 N ATOM 1688 CA ASN A 115 14.383 1.155 -1.707 1.00 0.00 C ATOM 1689 C ASN A 115 13.827 1.791 -3.002 1.00 0.00 C ATOM 1690 O ASN A 115 14.395 1.678 -4.070 1.00 0.00 O ATOM 1691 CB ASN A 115 15.888 1.458 -1.455 1.00 0.00 C ATOM 1692 CG ASN A 115 16.162 2.949 -1.587 1.00 0.00 C ATOM 1693 OD1 ASN A 115 16.096 3.491 -2.661 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.471 3.697 -0.580 1.00 0.00 N ATOM 0 H ASN A 115 14.890 -0.735 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 115 13.813 1.569 -0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.172 1.117 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.500 0.905 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.645 4.693 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.541 3.292 0.354 1.00 0.00 H new ATOM 1701 N VAL A 116 12.705 2.441 -2.833 1.00 0.00 N ATOM 1702 CA VAL A 116 12.031 3.108 -4.003 1.00 0.00 C ATOM 1703 C VAL A 116 11.514 4.533 -3.680 1.00 0.00 C ATOM 1704 O VAL A 116 11.556 4.970 -2.540 1.00 0.00 O ATOM 1705 CB VAL A 116 10.834 2.200 -4.472 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.246 0.709 -4.618 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.715 2.256 -3.427 1.00 0.00 C ATOM 0 H VAL A 116 12.222 2.543 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 116 12.774 3.223 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 116 10.511 2.579 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.386 0.124 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.044 0.623 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.598 0.333 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.884 1.628 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.092 1.896 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.371 3.284 -3.317 1.00 0.00 H new ATOM 1717 N ASN A 117 11.032 5.209 -4.701 1.00 0.00 N ATOM 1718 CA ASN A 117 10.497 6.607 -4.494 1.00 0.00 C ATOM 1719 C ASN A 117 9.031 6.740 -4.956 1.00 0.00 C ATOM 1720 O ASN A 117 8.642 6.018 -5.861 1.00 0.00 O ATOM 1721 CB ASN A 117 11.356 7.578 -5.295 1.00 0.00 C ATOM 1722 CG ASN A 117 12.814 7.323 -4.998 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.291 7.434 -3.896 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.563 6.970 -5.982 1.00 0.00 N ATOM 0 H ASN A 117 10.984 4.862 -5.659 1.00 0.00 H new ATOM 0 HA ASN A 117 10.533 6.831 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.164 7.456 -6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.096 8.605 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.554 6.786 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.166 6.874 -6.917 1.00 0.00 H new ATOM 1731 N TYR A 118 8.291 7.643 -4.348 1.00 0.00 N ATOM 1732 CA TYR A 118 6.872 7.812 -4.762 1.00 0.00 C ATOM 1733 C TYR A 118 6.430 9.299 -4.694 1.00 0.00 C ATOM 1734 O TYR A 118 6.636 10.039 -3.742 1.00 0.00 O ATOM 1735 CB TYR A 118 5.985 6.888 -3.850 1.00 0.00 C ATOM 1736 CG TYR A 118 5.736 7.430 -2.434 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.941 8.548 -2.206 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.326 6.801 -1.359 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.760 9.013 -0.916 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.131 7.284 -0.081 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.361 8.378 0.146 1.00 0.00 C ATOM 1742 OH TYR A 118 5.223 8.839 1.433 1.00 0.00 O ATOM 0 H TYR A 118 8.608 8.256 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 118 6.751 7.516 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.023 6.734 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.463 5.912 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.466 9.052 -3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.942 5.928 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.142 9.881 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.599 6.783 0.753 1.00 0.00 H new ATOM 0 HH TYR A 118 4.494 9.493 1.470 1.00 0.00 H new ATOM 1752 N GLN A 119 5.827 9.698 -5.776 1.00 0.00 N ATOM 1753 CA GLN A 119 5.313 11.101 -5.917 1.00 0.00 C ATOM 1754 C GLN A 119 3.820 11.075 -6.358 1.00 0.00 C ATOM 1755 O GLN A 119 3.455 10.263 -7.188 1.00 0.00 O ATOM 1756 CB GLN A 119 6.192 11.856 -6.984 1.00 0.00 C ATOM 1757 CG GLN A 119 7.465 11.047 -7.465 1.00 0.00 C ATOM 1758 CD GLN A 119 8.548 10.816 -6.396 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.471 10.060 -6.621 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.525 11.409 -5.241 1.00 0.00 N ATOM 0 H GLN A 119 5.662 9.104 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 119 5.377 11.622 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.573 12.087 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.518 12.807 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.137 10.077 -7.840 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.915 11.578 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.767 12.052 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.265 11.232 -4.562 1.00 0.00 H new ATOM 1769 N PHE A 120 3.000 11.943 -5.823 1.00 0.00 N ATOM 1770 CA PHE A 120 1.547 11.958 -6.219 1.00 0.00 C ATOM 1771 C PHE A 120 1.479 12.496 -7.666 1.00 0.00 C ATOM 1772 O PHE A 120 2.038 13.521 -8.012 1.00 0.00 O ATOM 1773 CB PHE A 120 0.732 12.883 -5.261 1.00 0.00 C ATOM 1774 CG PHE A 120 0.432 12.243 -3.874 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.434 11.713 -3.076 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.874 12.202 -3.391 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.143 11.166 -1.840 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.159 11.655 -2.156 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.152 11.138 -1.381 1.00 0.00 C ATOM 0 H PHE A 120 3.267 12.643 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 120 1.118 10.958 -6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.284 13.811 -5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.211 13.147 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.456 11.728 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.676 12.604 -3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.937 10.759 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.178 11.634 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.376 10.711 -0.415 1.00 0.00 H new ATOM 1789 N VAL A 121 0.766 11.741 -8.446 1.00 0.00 N ATOM 1790 CA VAL A 121 0.542 12.007 -9.899 1.00 0.00 C ATOM 1791 C VAL A 121 -0.906 11.776 -10.406 1.00 0.00 C ATOM 1792 O VAL A 121 -1.791 11.379 -9.662 1.00 0.00 O ATOM 1793 CB VAL A 121 1.628 11.094 -10.572 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.048 10.041 -11.508 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.557 11.997 -11.422 1.00 0.00 C ATOM 0 H VAL A 121 0.299 10.896 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 121 0.649 13.062 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 121 2.147 10.575 -9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.857 9.449 -11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.376 9.389 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.495 10.531 -12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.321 11.385 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.970 12.507 -12.186 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.035 12.736 -10.778 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.057 12.058 -11.676 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.367 11.900 -12.364 1.00 0.00 C ATOM 1807 C ASP A 122 -2.424 10.466 -12.925 1.00 0.00 C ATOM 1808 O ASP A 122 -1.394 9.860 -13.131 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.432 12.957 -13.504 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.840 13.143 -14.051 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.618 12.208 -13.964 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.003 14.248 -14.548 1.00 0.00 O ATOM 0 H ASP A 122 -0.306 12.399 -12.276 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.213 12.053 -11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.062 13.912 -13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.769 12.653 -14.314 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.580 9.935 -13.191 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.626 8.543 -13.726 1.00 0.00 C ATOM 1819 C CYS A 123 -3.558 8.570 -15.244 1.00 0.00 C ATOM 1820 O CYS A 123 -2.877 7.765 -15.846 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.931 7.890 -13.220 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.210 7.845 -11.428 1.00 0.00 S ATOM 0 H CYS A 123 -4.483 10.392 -13.065 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.774 7.958 -13.380 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.769 8.417 -13.677 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.959 6.865 -13.590 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.263 9.546 -15.754 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.411 9.836 -17.226 1.00 0.00 C ATOM 1829 C ARG A 124 -4.490 8.599 -18.106 1.00 0.00 C ATOM 1830 O ARG A 124 -3.787 8.481 -19.090 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.217 10.716 -17.688 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.263 12.045 -16.959 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.064 12.881 -17.354 1.00 0.00 C ATOM 1834 NE ARG A 124 -2.186 14.134 -16.542 1.00 0.00 N ATOM 1835 CZ ARG A 124 -2.060 15.286 -17.066 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -0.972 15.545 -17.663 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.044 16.069 -16.940 1.00 0.00 N ATOM 0 H ARG A 124 -4.781 10.203 -15.170 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.365 10.351 -17.343 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.275 10.208 -17.483 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.264 10.877 -18.765 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.184 12.574 -17.203 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.266 11.881 -15.881 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.131 12.360 -17.140 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.069 13.100 -18.422 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.375 14.061 -15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.236 14.840 -17.710 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.833 16.458 -18.096 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.879 15.763 -16.440 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -3.004 17.007 -17.339 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.344 7.717 -17.674 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.576 6.439 -18.397 1.00 0.00 C ATOM 1853 C ASP A 125 -6.733 6.710 -19.424 1.00 0.00 C ATOM 1854 O ASP A 125 -7.841 6.240 -19.209 1.00 0.00 O ATOM 1855 CB ASP A 125 -5.873 5.394 -17.267 1.00 0.00 C ATOM 1856 CG ASP A 125 -5.621 3.981 -17.781 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -4.474 3.544 -17.782 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.616 3.387 -18.141 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.442 7.403 -20.388 1.00 0.00 O ATOM 0 H ASP A 125 -5.904 7.832 -16.829 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.750 6.047 -18.990 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.241 5.593 -16.402 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.907 5.490 -16.935 1.00 0.00 H new