USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 87 THR OG1 : rot 70:sc= 0.426 USER MOD Set 1.2: A 101 SER OG : rot 95:sc= -0.0481 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.953 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.102 (180deg=-0.475) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= -0.624 (180deg=-2.2!) USER MOD Single : A 17 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1.2!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc=-0.00151 (180deg=-0.00215) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= -0.395 (180deg=-1.67!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0214 F(o=-0.74,f=-0.021) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.1) USER MOD Single : A 40 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 71:sc= 0.664 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 165:sc= 0.55 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -98:sc= 1.14 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.0045 (180deg=-0.109) USER MOD Single : A 86 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-3.9!) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.109) USER MOD Single : A 92 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-7.1!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 115 MET CE :methyl -169:sc= -0.507 (180deg=-0.957) USER MOD Single : A 122 GLN : amide:sc= -0.818 X(o=-0.82,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.220 12.114 -30.893 1.00 0.00 N ATOM 2 CA GLY A 1 -9.669 12.034 -30.858 1.00 0.00 C ATOM 3 C GLY A 1 -10.174 11.185 -29.708 1.00 0.00 C ATOM 4 O GLY A 1 -11.017 10.308 -29.899 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.924 12.705 -31.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.874 12.535 -30.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.822 11.159 -31.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.084 13.039 -30.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.030 11.618 -31.799 1.00 0.00 H new ATOM 8 N SER A 2 -9.658 11.444 -28.511 1.00 0.00 N ATOM 9 CA SER A 2 -10.058 10.693 -27.327 1.00 0.00 C ATOM 10 C SER A 2 -9.773 11.489 -26.057 1.00 0.00 C ATOM 11 O SER A 2 -8.629 11.850 -25.781 1.00 0.00 O ATOM 12 CB SER A 2 -9.325 9.351 -27.276 1.00 0.00 C ATOM 13 OG SER A 2 -10.054 8.401 -26.519 1.00 0.00 O ATOM 0 H SER A 2 -8.962 12.168 -28.335 1.00 0.00 H new ATOM 0 HA SER A 2 -11.131 10.511 -27.388 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.175 8.976 -28.288 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.337 9.489 -26.838 1.00 0.00 H new ATOM 0 HG SER A 2 -9.566 7.551 -26.503 1.00 0.00 H new ATOM 19 N SER A 3 -10.822 11.760 -25.288 1.00 0.00 N ATOM 20 CA SER A 3 -10.687 12.516 -24.048 1.00 0.00 C ATOM 21 C SER A 3 -10.260 11.607 -22.900 1.00 0.00 C ATOM 22 O SER A 3 -10.484 10.398 -22.935 1.00 0.00 O ATOM 23 CB SER A 3 -12.006 13.208 -23.702 1.00 0.00 C ATOM 24 OG SER A 3 -11.799 14.276 -22.794 1.00 0.00 O ATOM 0 H SER A 3 -11.775 11.467 -25.502 1.00 0.00 H new ATOM 0 HA SER A 3 -9.916 13.272 -24.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.472 13.586 -24.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.696 12.485 -23.267 1.00 0.00 H new ATOM 0 HG SER A 3 -12.657 14.703 -22.590 1.00 0.00 H new ATOM 30 N GLY A 4 -9.641 12.199 -21.883 1.00 0.00 N ATOM 31 CA GLY A 4 -9.192 11.428 -20.738 1.00 0.00 C ATOM 32 C GLY A 4 -10.236 11.356 -19.642 1.00 0.00 C ATOM 33 O GLY A 4 -10.567 12.368 -19.023 1.00 0.00 O ATOM 0 H GLY A 4 -9.443 13.198 -21.831 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.938 10.418 -21.061 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.281 11.873 -20.339 1.00 0.00 H new ATOM 37 N SER A 5 -10.757 10.157 -19.401 1.00 0.00 N ATOM 38 CA SER A 5 -11.774 9.958 -18.375 1.00 0.00 C ATOM 39 C SER A 5 -11.286 8.981 -17.309 1.00 0.00 C ATOM 40 O SER A 5 -11.397 7.766 -17.468 1.00 0.00 O ATOM 41 CB SER A 5 -13.068 9.440 -19.004 1.00 0.00 C ATOM 42 OG SER A 5 -12.861 8.191 -19.641 1.00 0.00 O ATOM 0 H SER A 5 -10.492 9.309 -19.902 1.00 0.00 H new ATOM 0 HA SER A 5 -11.969 10.919 -17.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.834 9.337 -18.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.439 10.164 -19.729 1.00 0.00 H new ATOM 0 HG SER A 5 -12.277 7.633 -19.086 1.00 0.00 H new ATOM 48 N SER A 6 -10.745 9.523 -16.222 1.00 0.00 N ATOM 49 CA SER A 6 -10.237 8.700 -15.131 1.00 0.00 C ATOM 50 C SER A 6 -10.496 9.366 -13.782 1.00 0.00 C ATOM 51 O SER A 6 -10.257 10.561 -13.611 1.00 0.00 O ATOM 52 CB SER A 6 -8.738 8.450 -15.309 1.00 0.00 C ATOM 53 OG SER A 6 -8.265 7.497 -14.372 1.00 0.00 O ATOM 0 H SER A 6 -10.647 10.527 -16.074 1.00 0.00 H new ATOM 0 HA SER A 6 -10.763 7.746 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.543 8.097 -16.322 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.193 9.386 -15.187 1.00 0.00 H new ATOM 0 HG SER A 6 -7.305 7.354 -14.508 1.00 0.00 H new ATOM 59 N GLY A 7 -10.986 8.582 -12.827 1.00 0.00 N ATOM 60 CA GLY A 7 -11.270 9.112 -11.506 1.00 0.00 C ATOM 61 C GLY A 7 -10.067 9.054 -10.587 1.00 0.00 C ATOM 62 O GLY A 7 -9.605 7.972 -10.226 1.00 0.00 O ATOM 0 H GLY A 7 -11.191 7.590 -12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.604 10.145 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.091 8.549 -11.061 1.00 0.00 H new ATOM 66 N GLY A 8 -9.556 10.221 -10.208 1.00 0.00 N ATOM 67 CA GLY A 8 -8.401 10.276 -9.330 1.00 0.00 C ATOM 68 C GLY A 8 -8.308 11.588 -8.576 1.00 0.00 C ATOM 69 O GLY A 8 -8.518 11.633 -7.364 1.00 0.00 O ATOM 0 H GLY A 8 -9.921 11.130 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.451 9.453 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.494 10.133 -9.918 1.00 0.00 H new ATOM 73 N LYS A 9 -7.991 12.660 -9.294 1.00 0.00 N ATOM 74 CA LYS A 9 -7.869 13.980 -8.687 1.00 0.00 C ATOM 75 C LYS A 9 -9.244 14.579 -8.408 1.00 0.00 C ATOM 76 O LYS A 9 -9.551 14.950 -7.275 1.00 0.00 O ATOM 77 CB LYS A 9 -7.070 14.912 -9.600 1.00 0.00 C ATOM 78 CG LYS A 9 -5.572 14.665 -9.560 1.00 0.00 C ATOM 79 CD LYS A 9 -4.836 15.542 -10.559 1.00 0.00 C ATOM 80 CE LYS A 9 -3.370 15.150 -10.671 1.00 0.00 C ATOM 81 NZ LYS A 9 -3.206 13.756 -11.169 1.00 0.00 N ATOM 0 H LYS A 9 -7.814 12.640 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.341 13.870 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.422 14.793 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.267 15.945 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.196 14.862 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.369 13.616 -9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.311 15.460 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.912 16.586 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.860 15.839 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.893 15.246 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.252 13.639 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.338 13.089 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.913 13.566 -11.907 1.00 0.00 H new ATOM 95 N ARG A 10 -10.067 14.670 -9.447 1.00 0.00 N ATOM 96 CA ARG A 10 -11.409 15.224 -9.314 1.00 0.00 C ATOM 97 C ARG A 10 -12.396 14.153 -8.856 1.00 0.00 C ATOM 98 O ARG A 10 -13.520 14.080 -9.351 1.00 0.00 O ATOM 99 CB ARG A 10 -11.870 15.824 -10.643 1.00 0.00 C ATOM 100 CG ARG A 10 -11.456 17.274 -10.832 1.00 0.00 C ATOM 101 CD ARG A 10 -12.434 18.020 -11.727 1.00 0.00 C ATOM 102 NE ARG A 10 -12.333 19.468 -11.561 1.00 0.00 N ATOM 103 CZ ARG A 10 -11.373 20.205 -12.109 1.00 0.00 C ATOM 104 NH1 ARG A 10 -10.439 19.634 -12.856 1.00 0.00 N ATOM 105 NH2 ARG A 10 -11.349 21.517 -11.912 1.00 0.00 N ATOM 0 H ARG A 10 -9.828 14.367 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.378 16.011 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.464 15.229 -11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.956 15.754 -10.707 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.400 17.767 -9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.458 17.315 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.243 17.760 -12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.451 17.699 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.038 19.939 -10.994 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.456 18.626 -13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.703 20.202 -13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.068 21.960 -11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.612 22.083 -12.333 1.00 0.00 H new ATOM 119 N SER A 11 -11.966 13.325 -7.910 1.00 0.00 N ATOM 120 CA SER A 11 -12.810 12.256 -7.389 1.00 0.00 C ATOM 121 C SER A 11 -12.855 12.293 -5.864 1.00 0.00 C ATOM 122 O SER A 11 -11.850 12.049 -5.196 1.00 0.00 O ATOM 123 CB SER A 11 -12.296 10.895 -7.862 1.00 0.00 C ATOM 124 OG SER A 11 -13.339 9.936 -7.886 1.00 0.00 O ATOM 0 H SER A 11 -11.038 13.374 -7.489 1.00 0.00 H new ATOM 0 HA SER A 11 -13.820 12.407 -7.769 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.864 10.992 -8.858 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.499 10.554 -7.201 1.00 0.00 H new ATOM 0 HG SER A 11 -12.985 9.075 -8.193 1.00 0.00 H new ATOM 130 N HIS A 12 -14.028 12.601 -5.320 1.00 0.00 N ATOM 131 CA HIS A 12 -14.205 12.670 -3.874 1.00 0.00 C ATOM 132 C HIS A 12 -13.756 11.372 -3.209 1.00 0.00 C ATOM 133 O HIS A 12 -12.952 11.387 -2.278 1.00 0.00 O ATOM 134 CB HIS A 12 -15.669 12.952 -3.532 1.00 0.00 C ATOM 135 CG HIS A 12 -16.187 14.227 -4.122 1.00 0.00 C ATOM 136 ND1 HIS A 12 -17.285 14.279 -4.955 1.00 0.00 N ATOM 137 CD2 HIS A 12 -15.752 15.503 -3.996 1.00 0.00 C ATOM 138 CE1 HIS A 12 -17.502 15.531 -5.316 1.00 0.00 C ATOM 139 NE2 HIS A 12 -16.586 16.294 -4.747 1.00 0.00 N ATOM 0 H HIS A 12 -14.870 12.807 -5.858 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.587 13.484 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.282 12.123 -3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.779 12.992 -2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.906 15.837 -3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -18.294 15.873 -5.966 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -16.511 17.306 -4.849 1.00 0.00 H new ATOM 148 N SER A 13 -14.282 10.252 -3.694 1.00 0.00 N ATOM 149 CA SER A 13 -13.939 8.946 -3.143 1.00 0.00 C ATOM 150 C SER A 13 -13.614 7.955 -4.257 1.00 0.00 C ATOM 151 O SER A 13 -14.343 7.852 -5.243 1.00 0.00 O ATOM 152 CB SER A 13 -15.090 8.410 -2.289 1.00 0.00 C ATOM 153 OG SER A 13 -16.257 8.217 -3.068 1.00 0.00 O ATOM 0 H SER A 13 -14.947 10.223 -4.467 1.00 0.00 H new ATOM 0 HA SER A 13 -13.055 9.065 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.796 7.467 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.301 9.108 -1.479 1.00 0.00 H new ATOM 0 HG SER A 13 -16.977 7.873 -2.499 1.00 0.00 H new ATOM 159 N MET A 14 -12.514 7.228 -4.091 1.00 0.00 N ATOM 160 CA MET A 14 -12.092 6.245 -5.082 1.00 0.00 C ATOM 161 C MET A 14 -12.556 4.845 -4.690 1.00 0.00 C ATOM 162 O MET A 14 -12.823 4.573 -3.520 1.00 0.00 O ATOM 163 CB MET A 14 -10.570 6.265 -5.236 1.00 0.00 C ATOM 164 CG MET A 14 -10.061 7.411 -6.094 1.00 0.00 C ATOM 165 SD MET A 14 -8.341 7.827 -5.750 1.00 0.00 S ATOM 166 CE MET A 14 -7.497 6.461 -6.543 1.00 0.00 C ATOM 0 H MET A 14 -11.899 7.301 -3.280 1.00 0.00 H new ATOM 0 HA MET A 14 -12.550 6.508 -6.036 1.00 0.00 H new ATOM 0 HB2 MET A 14 -10.114 6.331 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.245 5.322 -5.675 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.163 7.145 -7.146 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.684 8.290 -5.926 1.00 0.00 H new ATOM 0 HE1 MET A 14 -6.420 6.576 -6.417 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.817 5.523 -6.090 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.739 6.452 -7.606 1.00 0.00 H new ATOM 176 N LYS A 15 -12.652 3.961 -5.677 1.00 0.00 N ATOM 177 CA LYS A 15 -13.083 2.589 -5.437 1.00 0.00 C ATOM 178 C LYS A 15 -12.501 1.644 -6.483 1.00 0.00 C ATOM 179 O LYS A 15 -11.938 2.084 -7.485 1.00 0.00 O ATOM 180 CB LYS A 15 -14.611 2.503 -5.451 1.00 0.00 C ATOM 181 CG LYS A 15 -15.215 2.638 -6.838 1.00 0.00 C ATOM 182 CD LYS A 15 -16.660 2.168 -6.866 1.00 0.00 C ATOM 183 CE LYS A 15 -16.752 0.659 -7.033 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.645 -0.051 -5.729 1.00 0.00 N ATOM 0 H LYS A 15 -12.437 4.170 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.717 2.286 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.917 1.549 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.016 3.285 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.164 3.679 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.629 2.056 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.158 2.464 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.188 2.659 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.699 0.403 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.959 0.318 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.292 -0.865 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.669 -0.383 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.899 0.599 -4.958 1.00 0.00 H new ATOM 198 N ARG A 16 -12.641 0.344 -6.243 1.00 0.00 N ATOM 199 CA ARG A 16 -12.129 -0.662 -7.165 1.00 0.00 C ATOM 200 C ARG A 16 -13.260 -1.273 -7.987 1.00 0.00 C ATOM 201 O ARG A 16 -14.205 -1.836 -7.437 1.00 0.00 O ATOM 202 CB ARG A 16 -11.392 -1.760 -6.397 1.00 0.00 C ATOM 203 CG ARG A 16 -10.974 -2.936 -7.265 1.00 0.00 C ATOM 204 CD ARG A 16 -10.116 -3.924 -6.490 1.00 0.00 C ATOM 205 NE ARG A 16 -10.926 -4.888 -5.750 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.504 -5.945 -6.309 1.00 0.00 C ATOM 207 NH1 ARG A 16 -11.363 -6.173 -7.607 1.00 0.00 N ATOM 208 NH2 ARG A 16 -12.226 -6.777 -5.569 1.00 0.00 N ATOM 0 H ARG A 16 -13.105 -0.037 -5.418 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.432 -0.173 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.506 -1.332 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.033 -2.122 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.861 -3.443 -7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.420 -2.572 -8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.461 -4.455 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.474 -3.381 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.055 -4.741 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.809 -5.536 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.808 -6.986 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.338 -6.605 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.669 -7.588 -5.999 1.00 0.00 H new ATOM 222 N ASN A 17 -13.156 -1.156 -9.307 1.00 0.00 N ATOM 223 CA ASN A 17 -14.171 -1.696 -10.204 1.00 0.00 C ATOM 224 C ASN A 17 -14.461 -3.158 -9.880 1.00 0.00 C ATOM 225 O ASN A 17 -13.571 -3.929 -9.523 1.00 0.00 O ATOM 226 CB ASN A 17 -13.716 -1.565 -11.659 1.00 0.00 C ATOM 227 CG ASN A 17 -13.955 -0.175 -12.217 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.923 0.494 -11.855 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.070 0.267 -13.103 1.00 0.00 N ATOM 0 H ASN A 17 -12.380 -0.692 -9.779 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.087 -1.123 -10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.655 -1.804 -11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.247 -2.295 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.178 1.195 -13.512 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.282 -0.322 -13.374 1.00 0.00 H new ATOM 236 N PRO A 18 -15.738 -3.550 -10.008 1.00 0.00 N ATOM 237 CA PRO A 18 -16.176 -4.922 -9.735 1.00 0.00 C ATOM 238 C PRO A 18 -15.665 -5.912 -10.777 1.00 0.00 C ATOM 239 O PRO A 18 -15.650 -7.120 -10.544 1.00 0.00 O ATOM 240 CB PRO A 18 -17.702 -4.825 -9.793 1.00 0.00 C ATOM 241 CG PRO A 18 -17.975 -3.654 -10.672 1.00 0.00 C ATOM 242 CD PRO A 18 -16.852 -2.684 -10.430 1.00 0.00 C ATOM 0 HA PRO A 18 -15.794 -5.290 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.141 -5.736 -10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -18.127 -4.682 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.014 -3.953 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.938 -3.203 -10.434 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.605 -2.122 -11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.109 -1.956 -9.661 1.00 0.00 H new ATOM 250 N ASN A 19 -15.246 -5.391 -11.926 1.00 0.00 N ATOM 251 CA ASN A 19 -14.734 -6.230 -13.003 1.00 0.00 C ATOM 252 C ASN A 19 -13.263 -5.929 -13.275 1.00 0.00 C ATOM 253 O ASN A 19 -12.822 -5.923 -14.424 1.00 0.00 O ATOM 254 CB ASN A 19 -15.554 -6.016 -14.277 1.00 0.00 C ATOM 255 CG ASN A 19 -16.757 -6.936 -14.352 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.746 -7.933 -15.073 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.803 -6.602 -13.605 1.00 0.00 N ATOM 0 H ASN A 19 -15.251 -4.393 -12.135 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.822 -7.271 -12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.889 -4.980 -14.320 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.919 -6.182 -15.147 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.642 -7.182 -13.614 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.767 -5.766 -13.022 1.00 0.00 H new ATOM 264 N ALA A 20 -12.509 -5.680 -12.209 1.00 0.00 N ATOM 265 CA ALA A 20 -11.088 -5.382 -12.332 1.00 0.00 C ATOM 266 C ALA A 20 -10.237 -6.548 -11.841 1.00 0.00 C ATOM 267 O ALA A 20 -10.389 -7.029 -10.718 1.00 0.00 O ATOM 268 CB ALA A 20 -10.746 -4.115 -11.560 1.00 0.00 C ATOM 0 H ALA A 20 -12.859 -5.679 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.866 -5.224 -13.387 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.681 -3.904 -11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.321 -3.279 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.991 -4.253 -10.507 1.00 0.00 H new ATOM 274 N PRO A 21 -9.320 -7.016 -12.701 1.00 0.00 N ATOM 275 CA PRO A 21 -8.428 -8.133 -12.376 1.00 0.00 C ATOM 276 C PRO A 21 -7.391 -7.758 -11.322 1.00 0.00 C ATOM 277 O PRO A 21 -6.772 -6.697 -11.396 1.00 0.00 O ATOM 278 CB PRO A 21 -7.746 -8.442 -13.711 1.00 0.00 C ATOM 279 CG PRO A 21 -7.804 -7.161 -14.471 1.00 0.00 C ATOM 280 CD PRO A 21 -9.084 -6.491 -14.056 1.00 0.00 C ATOM 0 HA PRO A 21 -8.970 -8.979 -11.953 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.717 -8.769 -13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.261 -9.242 -14.243 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.943 -6.533 -14.243 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.790 -7.344 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.987 -5.405 -14.055 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.904 -6.737 -14.731 1.00 0.00 H new ATOM 288 N VAL A 22 -7.206 -8.637 -10.342 1.00 0.00 N ATOM 289 CA VAL A 22 -6.243 -8.400 -9.274 1.00 0.00 C ATOM 290 C VAL A 22 -4.812 -8.521 -9.787 1.00 0.00 C ATOM 291 O VAL A 22 -4.368 -9.603 -10.173 1.00 0.00 O ATOM 292 CB VAL A 22 -6.444 -9.385 -8.107 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.351 -10.821 -8.599 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.426 -9.122 -7.008 1.00 0.00 C ATOM 0 H VAL A 22 -7.711 -9.520 -10.266 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.412 -7.385 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.440 -9.232 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.495 -11.503 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.122 -10.999 -9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.369 -10.992 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.582 -9.827 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.419 -9.246 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.546 -8.104 -6.637 1.00 0.00 H new ATOM 304 N THR A 23 -4.093 -7.403 -9.789 1.00 0.00 N ATOM 305 CA THR A 23 -2.712 -7.384 -10.255 1.00 0.00 C ATOM 306 C THR A 23 -1.821 -8.250 -9.371 1.00 0.00 C ATOM 307 O THR A 23 -1.108 -9.126 -9.860 1.00 0.00 O ATOM 308 CB THR A 23 -2.149 -5.950 -10.283 1.00 0.00 C ATOM 309 OG1 THR A 23 -3.061 -5.079 -10.960 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.795 -5.914 -10.977 1.00 0.00 C ATOM 0 H THR A 23 -4.444 -6.499 -9.473 1.00 0.00 H new ATOM 0 HA THR A 23 -2.715 -7.786 -11.268 1.00 0.00 H new ATOM 0 HB THR A 23 -2.021 -5.613 -9.254 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.697 -4.169 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.417 -4.892 -10.985 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.095 -6.556 -10.442 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.902 -6.269 -12.002 1.00 0.00 H new ATOM 318 N LYS A 24 -1.868 -8.001 -8.067 1.00 0.00 N ATOM 319 CA LYS A 24 -1.066 -8.759 -7.114 1.00 0.00 C ATOM 320 C LYS A 24 -1.719 -8.762 -5.735 1.00 0.00 C ATOM 321 O LYS A 24 -2.319 -7.771 -5.320 1.00 0.00 O ATOM 322 CB LYS A 24 0.344 -8.172 -7.021 1.00 0.00 C ATOM 323 CG LYS A 24 1.387 -9.168 -6.544 1.00 0.00 C ATOM 324 CD LYS A 24 2.708 -8.485 -6.230 1.00 0.00 C ATOM 325 CE LYS A 24 3.660 -9.422 -5.503 1.00 0.00 C ATOM 326 NZ LYS A 24 4.150 -10.513 -6.390 1.00 0.00 N ATOM 0 H LYS A 24 -2.453 -7.280 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.002 -9.788 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.636 -7.794 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.330 -7.320 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.021 -9.681 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.542 -9.928 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.170 -8.141 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.526 -7.602 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.509 -8.854 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.155 -9.855 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.783 -11.140 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.341 -11.061 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.669 -10.102 -7.192 1.00 0.00 H new ATOM 340 N ALA A 25 -1.597 -9.882 -5.030 1.00 0.00 N ATOM 341 CA ALA A 25 -2.172 -10.011 -3.697 1.00 0.00 C ATOM 342 C ALA A 25 -1.162 -10.599 -2.718 1.00 0.00 C ATOM 343 O ALA A 25 -0.402 -11.503 -3.063 1.00 0.00 O ATOM 344 CB ALA A 25 -3.426 -10.872 -3.744 1.00 0.00 C ATOM 0 H ALA A 25 -1.105 -10.713 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.441 -9.015 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.845 -10.960 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.160 -10.410 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.173 -11.863 -4.120 1.00 0.00 H new ATOM 350 N GLY A 26 -1.158 -10.079 -1.494 1.00 0.00 N ATOM 351 CA GLY A 26 -0.236 -10.565 -0.484 1.00 0.00 C ATOM 352 C GLY A 26 -0.335 -9.787 0.813 1.00 0.00 C ATOM 353 O GLY A 26 -0.528 -8.572 0.803 1.00 0.00 O ATOM 0 H GLY A 26 -1.777 -9.330 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.438 -11.618 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.783 -10.501 -0.866 1.00 0.00 H new ATOM 357 N TRP A 27 -0.204 -10.489 1.933 1.00 0.00 N ATOM 358 CA TRP A 27 -0.281 -9.857 3.245 1.00 0.00 C ATOM 359 C TRP A 27 0.977 -9.045 3.533 1.00 0.00 C ATOM 360 O TRP A 27 2.059 -9.603 3.721 1.00 0.00 O ATOM 361 CB TRP A 27 -0.481 -10.913 4.332 1.00 0.00 C ATOM 362 CG TRP A 27 -1.888 -11.425 4.412 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.390 -12.539 3.803 1.00 0.00 C ATOM 364 CD2 TRP A 27 -2.972 -10.840 5.141 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.722 -12.682 4.110 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.103 -11.653 4.930 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.097 -9.710 5.954 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.340 -11.370 5.501 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.327 -9.430 6.520 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.435 -10.257 6.292 1.00 0.00 C ATOM 0 H TRP A 27 -0.044 -11.496 1.959 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.135 -9.180 3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.192 -11.749 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.201 -10.489 5.296 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.824 -13.209 3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.329 -13.433 3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.248 -9.067 6.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.195 -12.006 5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.436 -8.559 7.149 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.382 -10.011 6.749 1.00 0.00 H new ATOM 381 N LEU A 28 0.829 -7.725 3.566 1.00 0.00 N ATOM 382 CA LEU A 28 1.955 -6.836 3.832 1.00 0.00 C ATOM 383 C LEU A 28 1.765 -6.098 5.153 1.00 0.00 C ATOM 384 O LEU A 28 0.704 -6.174 5.773 1.00 0.00 O ATOM 385 CB LEU A 28 2.115 -5.830 2.691 1.00 0.00 C ATOM 386 CG LEU A 28 2.815 -6.347 1.433 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.507 -5.450 0.244 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.317 -6.440 1.659 1.00 0.00 C ATOM 0 H LEU A 28 -0.059 -7.247 3.412 1.00 0.00 H new ATOM 0 HA LEU A 28 2.858 -7.443 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.126 -5.470 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.672 -4.971 3.066 1.00 0.00 H new ATOM 0 HG LEU A 28 2.438 -7.346 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.013 -5.833 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.431 -5.435 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.855 -4.438 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.799 -6.810 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.710 -5.453 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.519 -7.124 2.483 1.00 0.00 H new ATOM 400 N PHE A 29 2.800 -5.381 5.578 1.00 0.00 N ATOM 401 CA PHE A 29 2.748 -4.627 6.826 1.00 0.00 C ATOM 402 C PHE A 29 2.976 -3.140 6.572 1.00 0.00 C ATOM 403 O PHE A 29 4.053 -2.730 6.139 1.00 0.00 O ATOM 404 CB PHE A 29 3.794 -5.155 7.810 1.00 0.00 C ATOM 405 CG PHE A 29 3.620 -6.608 8.147 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.930 -7.590 7.221 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.145 -6.992 9.391 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.771 -8.928 7.528 1.00 0.00 C ATOM 409 CE2 PHE A 29 2.985 -8.328 9.705 1.00 0.00 C ATOM 410 CZ PHE A 29 3.297 -9.298 8.772 1.00 0.00 C ATOM 0 H PHE A 29 3.685 -5.306 5.077 1.00 0.00 H new ATOM 0 HA PHE A 29 1.756 -4.756 7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.787 -5.005 7.387 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.746 -4.569 8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.301 -7.307 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.897 -6.238 10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.017 -9.684 6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.616 -8.614 10.679 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.171 -10.343 9.014 1.00 0.00 H new ATOM 420 N LYS A 30 1.954 -2.335 6.846 1.00 0.00 N ATOM 421 CA LYS A 30 2.041 -0.893 6.649 1.00 0.00 C ATOM 422 C LYS A 30 2.433 -0.190 7.945 1.00 0.00 C ATOM 423 O LYS A 30 1.649 -0.132 8.891 1.00 0.00 O ATOM 424 CB LYS A 30 0.705 -0.345 6.143 1.00 0.00 C ATOM 425 CG LYS A 30 0.821 1.007 5.461 1.00 0.00 C ATOM 426 CD LYS A 30 -0.492 1.422 4.819 1.00 0.00 C ATOM 427 CE LYS A 30 -1.362 2.208 5.788 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.922 1.339 6.860 1.00 0.00 N ATOM 0 H LYS A 30 1.056 -2.658 7.205 1.00 0.00 H new ATOM 0 HA LYS A 30 2.812 -0.699 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.270 -1.059 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.015 -0.261 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.124 1.758 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.602 0.967 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.291 2.028 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.030 0.536 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.773 3.007 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.177 2.682 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.848 1.707 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.034 0.370 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.275 1.332 7.674 1.00 0.00 H new ATOM 442 N GLN A 31 3.651 0.343 7.979 1.00 0.00 N ATOM 443 CA GLN A 31 4.145 1.042 9.159 1.00 0.00 C ATOM 444 C GLN A 31 3.121 2.055 9.660 1.00 0.00 C ATOM 445 O GLN A 31 2.380 2.644 8.874 1.00 0.00 O ATOM 446 CB GLN A 31 5.465 1.748 8.843 1.00 0.00 C ATOM 447 CG GLN A 31 6.364 1.928 10.056 1.00 0.00 C ATOM 448 CD GLN A 31 7.302 3.111 9.917 1.00 0.00 C ATOM 449 OE1 GLN A 31 8.558 2.835 9.587 1.00 0.00 O flip ATOM 450 NE2 GLN A 31 6.902 4.260 10.104 1.00 0.00 N flip ATOM 0 H GLN A 31 4.313 0.304 7.204 1.00 0.00 H new ATOM 0 HA GLN A 31 4.313 0.304 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.001 1.176 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.250 2.726 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.747 2.061 10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.949 1.021 10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.928 4.426 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.545 5.046 10.007 1.00 0.00 H new ATOM 459 N ALA A 32 3.084 2.251 10.974 1.00 0.00 N ATOM 460 CA ALA A 32 2.152 3.193 11.580 1.00 0.00 C ATOM 461 C ALA A 32 2.870 4.457 12.041 1.00 0.00 C ATOM 462 O ALA A 32 3.626 4.433 13.013 1.00 0.00 O ATOM 463 CB ALA A 32 1.426 2.540 12.748 1.00 0.00 C ATOM 0 H ALA A 32 3.689 1.770 11.639 1.00 0.00 H new ATOM 0 HA ALA A 32 1.420 3.478 10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.733 3.255 13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.873 1.671 12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.152 2.226 13.498 1.00 0.00 H new ATOM 469 N SER A 33 2.630 5.558 11.338 1.00 0.00 N ATOM 470 CA SER A 33 3.258 6.831 11.673 1.00 0.00 C ATOM 471 C SER A 33 2.311 7.706 12.488 1.00 0.00 C ATOM 472 O SER A 33 2.699 8.277 13.507 1.00 0.00 O ATOM 473 CB SER A 33 3.680 7.566 10.399 1.00 0.00 C ATOM 474 OG SER A 33 4.258 8.824 10.704 1.00 0.00 O ATOM 0 H SER A 33 2.005 5.595 10.533 1.00 0.00 H new ATOM 0 HA SER A 33 4.143 6.624 12.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.395 6.958 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.814 7.707 9.753 1.00 0.00 H new ATOM 0 HG SER A 33 4.521 9.273 9.874 1.00 0.00 H new ATOM 480 N SER A 34 1.067 7.806 12.032 1.00 0.00 N ATOM 481 CA SER A 34 0.064 8.615 12.716 1.00 0.00 C ATOM 482 C SER A 34 -0.075 8.188 14.174 1.00 0.00 C ATOM 483 O SER A 34 -0.136 9.024 15.074 1.00 0.00 O ATOM 484 CB SER A 34 -1.287 8.497 12.007 1.00 0.00 C ATOM 485 OG SER A 34 -1.335 9.326 10.859 1.00 0.00 O ATOM 0 H SER A 34 0.729 7.337 11.192 1.00 0.00 H new ATOM 0 HA SER A 34 0.391 9.655 12.689 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.460 7.460 11.718 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.087 8.775 12.693 1.00 0.00 H new ATOM 0 HG SER A 34 -2.208 9.231 10.423 1.00 0.00 H new ATOM 491 N GLY A 35 -0.125 6.878 14.399 1.00 0.00 N ATOM 492 CA GLY A 35 -0.256 6.362 15.749 1.00 0.00 C ATOM 493 C GLY A 35 1.033 5.757 16.266 1.00 0.00 C ATOM 494 O GLY A 35 2.108 6.006 15.719 1.00 0.00 O ATOM 0 H GLY A 35 -0.077 6.166 13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.568 7.168 16.414 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.042 5.608 15.772 1.00 0.00 H new ATOM 498 N VAL A 36 0.928 4.960 17.325 1.00 0.00 N ATOM 499 CA VAL A 36 2.096 4.319 17.918 1.00 0.00 C ATOM 500 C VAL A 36 3.011 3.742 16.843 1.00 0.00 C ATOM 501 O VAL A 36 2.545 3.193 15.844 1.00 0.00 O ATOM 502 CB VAL A 36 1.686 3.193 18.886 1.00 0.00 C ATOM 503 CG1 VAL A 36 0.751 2.210 18.197 1.00 0.00 C ATOM 504 CG2 VAL A 36 2.917 2.480 19.425 1.00 0.00 C ATOM 0 H VAL A 36 0.046 4.743 17.790 1.00 0.00 H new ATOM 0 HA VAL A 36 2.633 5.088 18.473 1.00 0.00 H new ATOM 0 HB VAL A 36 1.153 3.637 19.727 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.472 1.422 18.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.145 2.733 17.864 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.255 1.770 17.337 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.609 1.688 20.107 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.479 2.048 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.546 3.193 19.958 1.00 0.00 H new ATOM 514 N LYS A 37 4.316 3.871 17.054 1.00 0.00 N ATOM 515 CA LYS A 37 5.299 3.361 16.105 1.00 0.00 C ATOM 516 C LYS A 37 5.281 1.837 16.069 1.00 0.00 C ATOM 517 O LYS A 37 5.942 1.180 16.872 1.00 0.00 O ATOM 518 CB LYS A 37 6.699 3.856 16.475 1.00 0.00 C ATOM 519 CG LYS A 37 6.827 5.370 16.481 1.00 0.00 C ATOM 520 CD LYS A 37 7.169 5.906 15.101 1.00 0.00 C ATOM 521 CE LYS A 37 6.986 7.415 15.029 1.00 0.00 C ATOM 522 NZ LYS A 37 8.175 8.143 15.553 1.00 0.00 N ATOM 0 H LYS A 37 4.718 4.325 17.874 1.00 0.00 H new ATOM 0 HA LYS A 37 5.038 3.733 15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.962 3.474 17.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.420 3.442 15.770 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.892 5.814 16.823 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.600 5.668 17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.200 5.651 14.856 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.536 5.425 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.806 7.710 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.103 7.702 15.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.011 9.168 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.332 7.881 16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.013 7.889 14.991 1.00 0.00 H new ATOM 536 N GLN A 38 4.521 1.281 15.130 1.00 0.00 N ATOM 537 CA GLN A 38 4.418 -0.167 14.989 1.00 0.00 C ATOM 538 C GLN A 38 3.975 -0.546 13.580 1.00 0.00 C ATOM 539 O GLN A 38 3.579 0.312 12.791 1.00 0.00 O ATOM 540 CB GLN A 38 3.434 -0.732 16.015 1.00 0.00 C ATOM 541 CG GLN A 38 2.006 -0.249 15.818 1.00 0.00 C ATOM 542 CD GLN A 38 0.978 -1.250 16.309 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.146 -0.936 17.161 1.00 0.00 O ATOM 544 NE2 GLN A 38 1.031 -2.464 15.774 1.00 0.00 N ATOM 0 H GLN A 38 3.968 1.811 14.456 1.00 0.00 H new ATOM 0 HA GLN A 38 5.404 -0.595 15.168 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.451 -1.821 15.962 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.767 -0.457 17.016 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.870 0.695 16.346 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.837 -0.050 14.760 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.737 -2.681 15.071 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.365 -3.180 16.066 1.00 0.00 H new ATOM 553 N TRP A 39 4.046 -1.836 13.271 1.00 0.00 N ATOM 554 CA TRP A 39 3.653 -2.329 11.955 1.00 0.00 C ATOM 555 C TRP A 39 2.303 -3.034 12.020 1.00 0.00 C ATOM 556 O TRP A 39 2.107 -3.947 12.821 1.00 0.00 O ATOM 557 CB TRP A 39 4.715 -3.283 11.407 1.00 0.00 C ATOM 558 CG TRP A 39 6.011 -2.604 11.081 1.00 0.00 C ATOM 559 CD1 TRP A 39 7.050 -2.367 11.935 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.405 -2.074 9.811 1.00 0.00 C ATOM 561 NE1 TRP A 39 8.066 -1.721 11.273 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.695 -1.530 9.968 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.794 -2.007 8.555 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.382 -0.928 8.917 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.477 -1.409 7.514 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.760 -0.877 7.699 1.00 0.00 C ATOM 0 H TRP A 39 4.372 -2.559 13.913 1.00 0.00 H new ATOM 0 HA TRP A 39 3.564 -1.474 11.285 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.899 -4.070 12.139 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.330 -3.767 10.509 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.070 -2.646 12.978 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.952 -1.431 11.686 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.806 -2.415 8.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.370 -0.516 9.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.014 -1.350 6.540 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.268 -0.418 6.864 1.00 0.00 H new ATOM 577 N ASN A 40 1.374 -2.605 11.171 1.00 0.00 N ATOM 578 CA ASN A 40 0.042 -3.197 11.132 1.00 0.00 C ATOM 579 C ASN A 40 -0.117 -4.101 9.913 1.00 0.00 C ATOM 580 O ASN A 40 -0.021 -3.647 8.773 1.00 0.00 O ATOM 581 CB ASN A 40 -1.025 -2.101 11.111 1.00 0.00 C ATOM 582 CG ASN A 40 -1.211 -1.449 12.468 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.286 -1.522 13.062 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.160 -0.805 12.963 1.00 0.00 N ATOM 0 H ASN A 40 1.520 -1.850 10.501 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.086 -3.802 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.747 -1.341 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.973 -2.527 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.225 -0.345 13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.712 -0.770 12.435 1.00 0.00 H new ATOM 591 N LYS A 41 -0.361 -5.383 10.162 1.00 0.00 N ATOM 592 CA LYS A 41 -0.536 -6.352 9.087 1.00 0.00 C ATOM 593 C LYS A 41 -1.955 -6.297 8.530 1.00 0.00 C ATOM 594 O LYS A 41 -2.928 -6.443 9.271 1.00 0.00 O ATOM 595 CB LYS A 41 -0.227 -7.764 9.589 1.00 0.00 C ATOM 596 CG LYS A 41 0.017 -8.767 8.475 1.00 0.00 C ATOM 597 CD LYS A 41 -0.164 -10.195 8.960 1.00 0.00 C ATOM 598 CE LYS A 41 0.586 -11.182 8.079 1.00 0.00 C ATOM 599 NZ LYS A 41 0.884 -12.452 8.798 1.00 0.00 N ATOM 0 H LYS A 41 -0.442 -5.775 11.100 1.00 0.00 H new ATOM 0 HA LYS A 41 0.159 -6.098 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.652 -7.727 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.057 -8.112 10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.670 -8.572 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.027 -8.640 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.191 -10.279 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.225 -10.446 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.007 -11.398 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.518 -10.730 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.396 -13.098 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.471 -12.249 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.006 -12.897 9.101 1.00 0.00 H new ATOM 613 N ARG A 42 -2.065 -6.088 7.223 1.00 0.00 N ATOM 614 CA ARG A 42 -3.366 -6.015 6.568 1.00 0.00 C ATOM 615 C ARG A 42 -3.304 -6.616 5.167 1.00 0.00 C ATOM 616 O ARG A 42 -2.234 -6.698 4.563 1.00 0.00 O ATOM 617 CB ARG A 42 -3.841 -4.563 6.491 1.00 0.00 C ATOM 618 CG ARG A 42 -4.097 -3.933 7.850 1.00 0.00 C ATOM 619 CD ARG A 42 -5.504 -4.230 8.346 1.00 0.00 C ATOM 620 NE ARG A 42 -5.570 -4.287 9.804 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.620 -4.747 10.475 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.686 -5.188 9.822 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.605 -4.767 11.801 1.00 0.00 N ATOM 0 H ARG A 42 -1.270 -5.966 6.596 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.076 -6.592 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.093 -3.973 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.757 -4.520 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.370 -4.309 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.953 -2.854 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.186 -3.462 7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.842 -5.179 7.930 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.766 -3.955 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.701 -5.175 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.491 -5.541 10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.786 -4.429 12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.412 -5.121 12.315 1.00 0.00 H new ATOM 637 N TRP A 43 -4.456 -7.034 4.657 1.00 0.00 N ATOM 638 CA TRP A 43 -4.533 -7.628 3.327 1.00 0.00 C ATOM 639 C TRP A 43 -4.326 -6.573 2.246 1.00 0.00 C ATOM 640 O TRP A 43 -5.135 -5.656 2.098 1.00 0.00 O ATOM 641 CB TRP A 43 -5.883 -8.319 3.131 1.00 0.00 C ATOM 642 CG TRP A 43 -5.985 -9.068 1.837 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.952 -8.928 0.883 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.088 -10.075 1.357 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.710 -9.787 -0.162 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.572 -10.501 0.104 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.922 -10.657 1.861 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.930 -11.482 -0.647 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.286 -11.630 1.115 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.791 -12.035 -0.129 1.00 0.00 C ATOM 0 H TRP A 43 -5.350 -6.973 5.144 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.738 -8.369 3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.053 -9.010 3.957 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.675 -7.571 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.785 -8.243 0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.285 -9.878 -1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.525 -10.351 2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.318 -11.795 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.385 -12.087 1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.271 -12.798 -0.689 1.00 0.00 H new ATOM 661 N PHE A 44 -3.239 -6.707 1.494 1.00 0.00 N ATOM 662 CA PHE A 44 -2.927 -5.763 0.427 1.00 0.00 C ATOM 663 C PHE A 44 -3.307 -6.337 -0.935 1.00 0.00 C ATOM 664 O PHE A 44 -3.086 -7.517 -1.208 1.00 0.00 O ATOM 665 CB PHE A 44 -1.437 -5.413 0.448 1.00 0.00 C ATOM 666 CG PHE A 44 -1.113 -4.226 1.309 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.674 -4.093 2.568 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.246 -3.243 0.859 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.378 -3.001 3.363 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.055 -2.149 1.649 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.512 -2.029 2.903 1.00 0.00 C ATOM 0 H PHE A 44 -2.559 -7.460 1.603 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.509 -4.857 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.874 -6.275 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.104 -5.215 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.351 -4.851 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.200 -3.333 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.824 -2.909 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.732 -1.390 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.278 -1.176 3.523 1.00 0.00 H new ATOM 681 N VAL A 45 -3.882 -5.493 -1.786 1.00 0.00 N ATOM 682 CA VAL A 45 -4.293 -5.914 -3.120 1.00 0.00 C ATOM 683 C VAL A 45 -4.014 -4.826 -4.150 1.00 0.00 C ATOM 684 O VAL A 45 -4.390 -3.668 -3.963 1.00 0.00 O ATOM 685 CB VAL A 45 -5.791 -6.271 -3.159 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.189 -6.753 -4.546 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.115 -7.321 -2.107 1.00 0.00 C ATOM 0 H VAL A 45 -4.074 -4.514 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.709 -6.801 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.367 -5.374 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.250 -7.001 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.994 -5.966 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.608 -7.638 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.177 -7.562 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.531 -8.221 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.869 -6.934 -1.118 1.00 0.00 H new ATOM 697 N LEU A 46 -3.354 -5.205 -5.239 1.00 0.00 N ATOM 698 CA LEU A 46 -3.024 -4.261 -6.301 1.00 0.00 C ATOM 699 C LEU A 46 -3.956 -4.438 -7.496 1.00 0.00 C ATOM 700 O LEU A 46 -3.926 -5.466 -8.173 1.00 0.00 O ATOM 701 CB LEU A 46 -1.571 -4.445 -6.742 1.00 0.00 C ATOM 702 CG LEU A 46 -1.030 -3.405 -7.724 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.733 -2.098 -7.007 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.217 -3.929 -8.422 1.00 0.00 C ATOM 0 H LEU A 46 -3.037 -6.159 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.153 -3.252 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.939 -4.439 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.473 -5.431 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.792 -3.215 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.349 -1.370 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.648 -1.715 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.011 -2.270 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.588 -3.176 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.985 -4.148 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.028 -4.839 -8.970 1.00 0.00 H new ATOM 716 N VAL A 47 -4.783 -3.429 -7.751 1.00 0.00 N ATOM 717 CA VAL A 47 -5.721 -3.472 -8.866 1.00 0.00 C ATOM 718 C VAL A 47 -5.814 -2.117 -9.558 1.00 0.00 C ATOM 719 O VAL A 47 -5.838 -1.074 -8.904 1.00 0.00 O ATOM 720 CB VAL A 47 -7.127 -3.895 -8.400 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.136 -3.726 -9.525 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.111 -5.331 -7.898 1.00 0.00 C ATOM 0 H VAL A 47 -4.822 -2.572 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.342 -4.212 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.428 -3.249 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.123 -4.030 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.166 -2.681 -9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.843 -4.346 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.112 -5.614 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.790 -5.994 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.420 -5.416 -7.060 1.00 0.00 H new ATOM 732 N ASP A 48 -5.866 -2.139 -10.885 1.00 0.00 N ATOM 733 CA ASP A 48 -5.958 -0.912 -11.668 1.00 0.00 C ATOM 734 C ASP A 48 -4.814 0.037 -11.327 1.00 0.00 C ATOM 735 O ASP A 48 -5.039 1.196 -10.976 1.00 0.00 O ATOM 736 CB ASP A 48 -7.300 -0.223 -11.419 1.00 0.00 C ATOM 737 CG ASP A 48 -7.712 0.676 -12.568 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.334 0.377 -13.720 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.410 1.681 -12.316 1.00 0.00 O ATOM 0 H ASP A 48 -5.846 -2.994 -11.442 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.884 -1.177 -12.723 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.069 -0.979 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.238 0.367 -10.504 1.00 0.00 H new ATOM 744 N ARG A 49 -3.586 -0.462 -11.431 1.00 0.00 N ATOM 745 CA ARG A 49 -2.407 0.341 -11.131 1.00 0.00 C ATOM 746 C ARG A 49 -2.590 1.109 -9.826 1.00 0.00 C ATOM 747 O ARG A 49 -2.017 2.184 -9.641 1.00 0.00 O ATOM 748 CB ARG A 49 -2.124 1.317 -12.275 1.00 0.00 C ATOM 749 CG ARG A 49 -1.270 0.724 -13.384 1.00 0.00 C ATOM 750 CD ARG A 49 -0.727 1.805 -14.306 1.00 0.00 C ATOM 751 NE ARG A 49 -0.445 1.291 -15.644 1.00 0.00 N ATOM 752 CZ ARG A 49 0.267 1.952 -16.550 1.00 0.00 C ATOM 753 NH1 ARG A 49 0.768 3.146 -16.262 1.00 0.00 N ATOM 754 NH2 ARG A 49 0.481 1.419 -17.746 1.00 0.00 N ATOM 0 H ARG A 49 -3.382 -1.419 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.558 -0.333 -11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.071 1.653 -12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.623 2.198 -11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.441 0.166 -12.948 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.863 0.015 -13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.449 2.619 -14.375 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.185 2.222 -13.878 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.815 0.375 -15.896 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.607 3.559 -15.343 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.314 3.652 -16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.099 0.501 -17.971 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.028 1.928 -18.441 1.00 0.00 H new ATOM 768 N CYS A 50 -3.391 0.552 -8.925 1.00 0.00 N ATOM 769 CA CYS A 50 -3.650 1.186 -7.637 1.00 0.00 C ATOM 770 C CYS A 50 -3.556 0.170 -6.503 1.00 0.00 C ATOM 771 O CYS A 50 -3.654 -1.037 -6.726 1.00 0.00 O ATOM 772 CB CYS A 50 -5.032 1.842 -7.637 1.00 0.00 C ATOM 773 SG CYS A 50 -5.174 3.263 -8.746 1.00 0.00 S ATOM 0 H CYS A 50 -3.872 -0.337 -9.062 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.892 1.953 -7.478 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.776 1.097 -7.921 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.271 2.161 -6.623 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.160 2.854 -9.980 1.00 0.00 H new ATOM 779 N LEU A 51 -3.365 0.667 -5.285 1.00 0.00 N ATOM 780 CA LEU A 51 -3.256 -0.197 -4.115 1.00 0.00 C ATOM 781 C LEU A 51 -4.521 -0.126 -3.266 1.00 0.00 C ATOM 782 O LEU A 51 -5.048 0.957 -3.008 1.00 0.00 O ATOM 783 CB LEU A 51 -2.041 0.200 -3.275 1.00 0.00 C ATOM 784 CG LEU A 51 -1.404 -0.916 -2.445 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.068 -0.625 -2.199 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.144 -1.088 -1.127 1.00 0.00 C ATOM 0 H LEU A 51 -3.283 1.663 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.131 -1.223 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.281 0.608 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.338 1.003 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.479 -1.848 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.504 -1.430 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.589 -0.553 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.167 0.317 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.678 -1.886 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.101 -0.157 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.185 -1.344 -1.325 1.00 0.00 H new ATOM 798 N PHE A 52 -5.002 -1.286 -2.831 1.00 0.00 N ATOM 799 CA PHE A 52 -6.204 -1.355 -2.009 1.00 0.00 C ATOM 800 C PHE A 52 -6.016 -2.332 -0.852 1.00 0.00 C ATOM 801 O PHE A 52 -5.774 -3.521 -1.061 1.00 0.00 O ATOM 802 CB PHE A 52 -7.404 -1.779 -2.858 1.00 0.00 C ATOM 803 CG PHE A 52 -7.581 -0.952 -4.100 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.736 0.423 -4.017 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.594 -1.549 -5.350 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.899 1.186 -5.157 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.756 -0.791 -6.494 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.910 0.579 -6.397 1.00 0.00 C ATOM 0 H PHE A 52 -4.578 -2.191 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.390 -0.363 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.287 -2.825 -3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.309 -1.711 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.729 0.903 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.476 -2.619 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.018 2.257 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.762 -1.269 -7.463 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.039 1.174 -7.289 1.00 0.00 H new ATOM 818 N TYR A 53 -6.129 -1.821 0.369 1.00 0.00 N ATOM 819 CA TYR A 53 -5.968 -2.646 1.561 1.00 0.00 C ATOM 820 C TYR A 53 -7.313 -2.894 2.237 1.00 0.00 C ATOM 821 O TYR A 53 -8.062 -1.957 2.517 1.00 0.00 O ATOM 822 CB TYR A 53 -5.006 -1.978 2.544 1.00 0.00 C ATOM 823 CG TYR A 53 -5.589 -0.763 3.231 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.650 0.464 2.582 1.00 0.00 C ATOM 825 CD2 TYR A 53 -6.079 -0.843 4.529 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.181 1.576 3.206 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.613 0.263 5.160 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.662 1.471 4.495 1.00 0.00 C ATOM 829 OH TYR A 53 -7.193 2.576 5.119 1.00 0.00 O ATOM 0 H TYR A 53 -6.331 -0.840 0.560 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.553 -3.606 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.709 -2.705 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.101 -1.685 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.276 0.550 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.041 -1.787 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.220 2.523 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.990 0.183 6.169 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.487 2.332 6.021 1.00 0.00 H new ATOM 839 N TYR A 54 -7.613 -4.162 2.497 1.00 0.00 N ATOM 840 CA TYR A 54 -8.868 -4.534 3.138 1.00 0.00 C ATOM 841 C TYR A 54 -8.627 -5.021 4.564 1.00 0.00 C ATOM 842 O TYR A 54 -7.660 -5.734 4.835 1.00 0.00 O ATOM 843 CB TYR A 54 -9.575 -5.622 2.329 1.00 0.00 C ATOM 844 CG TYR A 54 -9.918 -5.201 0.918 1.00 0.00 C ATOM 845 CD1 TYR A 54 -9.010 -5.373 -0.120 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.149 -4.629 0.623 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.319 -4.989 -1.410 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.467 -4.242 -0.665 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.549 -4.424 -1.678 1.00 0.00 C ATOM 850 OH TYR A 54 -10.861 -4.040 -2.962 1.00 0.00 O ATOM 0 H TYR A 54 -7.004 -4.949 2.274 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.503 -3.649 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.939 -6.506 2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.490 -5.910 2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.046 -5.815 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.870 -4.484 1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.602 -5.130 -2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.429 -3.799 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.827 -3.888 -3.033 1.00 0.00 H new ATOM 860 N LYS A 55 -9.515 -4.632 5.473 1.00 0.00 N ATOM 861 CA LYS A 55 -9.403 -5.029 6.872 1.00 0.00 C ATOM 862 C LYS A 55 -8.918 -6.470 6.991 1.00 0.00 C ATOM 863 O LYS A 55 -8.113 -6.794 7.865 1.00 0.00 O ATOM 864 CB LYS A 55 -10.752 -4.873 7.577 1.00 0.00 C ATOM 865 CG LYS A 55 -11.834 -5.787 7.030 1.00 0.00 C ATOM 866 CD LYS A 55 -13.204 -5.416 7.571 1.00 0.00 C ATOM 867 CE LYS A 55 -14.249 -6.460 7.207 1.00 0.00 C ATOM 868 NZ LYS A 55 -15.379 -6.475 8.176 1.00 0.00 N ATOM 0 H LYS A 55 -10.321 -4.042 5.266 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.672 -4.378 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.622 -5.074 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.082 -3.838 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.844 -5.729 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.606 -6.820 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.153 -5.314 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.503 -4.446 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.631 -6.258 6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.783 -7.445 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.069 -7.199 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.018 -6.693 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.840 -5.543 8.186 1.00 0.00 H new ATOM 882 N ASP A 56 -9.412 -7.331 6.108 1.00 0.00 N ATOM 883 CA ASP A 56 -9.028 -8.737 6.113 1.00 0.00 C ATOM 884 C ASP A 56 -9.126 -9.333 4.712 1.00 0.00 C ATOM 885 O ASP A 56 -9.426 -8.629 3.748 1.00 0.00 O ATOM 886 CB ASP A 56 -9.913 -9.527 7.079 1.00 0.00 C ATOM 887 CG ASP A 56 -9.857 -8.981 8.492 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.965 -9.404 9.257 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.705 -8.131 8.834 1.00 0.00 O ATOM 0 H ASP A 56 -10.080 -7.079 5.379 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.992 -8.803 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.943 -9.505 6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.600 -10.571 7.083 1.00 0.00 H new ATOM 894 N GLU A 57 -8.869 -10.633 4.608 1.00 0.00 N ATOM 895 CA GLU A 57 -8.927 -11.321 3.323 1.00 0.00 C ATOM 896 C GLU A 57 -10.367 -11.667 2.956 1.00 0.00 C ATOM 897 O GLU A 57 -10.652 -12.767 2.481 1.00 0.00 O ATOM 898 CB GLU A 57 -8.079 -12.595 3.364 1.00 0.00 C ATOM 899 CG GLU A 57 -8.504 -13.575 4.445 1.00 0.00 C ATOM 900 CD GLU A 57 -9.546 -14.564 3.959 1.00 0.00 C ATOM 901 OE1 GLU A 57 -9.252 -15.315 3.006 1.00 0.00 O ATOM 902 OE2 GLU A 57 -10.655 -14.586 4.533 1.00 0.00 O ATOM 0 H GLU A 57 -8.619 -11.230 5.396 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.528 -10.651 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.135 -13.090 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.036 -12.322 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.629 -14.120 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.902 -13.022 5.295 1.00 0.00 H new ATOM 909 N LYS A 58 -11.272 -10.720 3.179 1.00 0.00 N ATOM 910 CA LYS A 58 -12.683 -10.922 2.871 1.00 0.00 C ATOM 911 C LYS A 58 -13.071 -10.187 1.592 1.00 0.00 C ATOM 912 O LYS A 58 -14.027 -10.564 0.916 1.00 0.00 O ATOM 913 CB LYS A 58 -13.553 -10.439 4.034 1.00 0.00 C ATOM 914 CG LYS A 58 -13.468 -11.324 5.265 1.00 0.00 C ATOM 915 CD LYS A 58 -14.752 -11.275 6.077 1.00 0.00 C ATOM 916 CE LYS A 58 -15.900 -11.955 5.346 1.00 0.00 C ATOM 917 NZ LYS A 58 -16.973 -12.390 6.283 1.00 0.00 N ATOM 0 H LYS A 58 -11.053 -9.805 3.572 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.848 -11.989 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.255 -9.426 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.591 -10.388 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.267 -12.352 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.631 -11.005 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.594 -11.761 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.014 -10.237 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.318 -11.270 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.522 -12.819 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.737 -12.849 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.581 -13.063 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.352 -11.562 6.786 1.00 0.00 H new ATOM 931 N GLU A 59 -12.322 -9.139 1.266 1.00 0.00 N ATOM 932 CA GLU A 59 -12.589 -8.353 0.067 1.00 0.00 C ATOM 933 C GLU A 59 -14.046 -7.904 0.024 1.00 0.00 C ATOM 934 O GLU A 59 -14.743 -8.118 -0.967 1.00 0.00 O ATOM 935 CB GLU A 59 -12.256 -9.165 -1.186 1.00 0.00 C ATOM 936 CG GLU A 59 -10.772 -9.204 -1.511 1.00 0.00 C ATOM 937 CD GLU A 59 -10.476 -9.953 -2.795 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.532 -11.200 -2.781 1.00 0.00 O ATOM 939 OE2 GLU A 59 -10.187 -9.292 -3.815 1.00 0.00 O ATOM 0 H GLU A 59 -11.526 -8.814 1.815 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.955 -7.467 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.617 -10.185 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.794 -8.744 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.395 -8.185 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.236 -9.676 -0.688 1.00 0.00 H new ATOM 946 N GLU A 60 -14.500 -7.282 1.108 1.00 0.00 N ATOM 947 CA GLU A 60 -15.875 -6.804 1.194 1.00 0.00 C ATOM 948 C GLU A 60 -15.959 -5.322 0.843 1.00 0.00 C ATOM 949 O GLU A 60 -16.683 -4.930 -0.073 1.00 0.00 O ATOM 950 CB GLU A 60 -16.433 -7.039 2.600 1.00 0.00 C ATOM 951 CG GLU A 60 -16.877 -8.471 2.847 1.00 0.00 C ATOM 952 CD GLU A 60 -18.006 -8.567 3.855 1.00 0.00 C ATOM 953 OE1 GLU A 60 -19.119 -8.094 3.546 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.775 -9.115 4.953 1.00 0.00 O ATOM 0 H GLU A 60 -13.936 -7.098 1.938 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.473 -7.364 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.672 -6.772 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.280 -6.372 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.198 -8.915 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.028 -9.055 3.202 1.00 0.00 H new ATOM 961 N SER A 61 -15.215 -4.502 1.579 1.00 0.00 N ATOM 962 CA SER A 61 -15.208 -3.062 1.349 1.00 0.00 C ATOM 963 C SER A 61 -13.800 -2.495 1.500 1.00 0.00 C ATOM 964 O SER A 61 -13.052 -2.890 2.395 1.00 0.00 O ATOM 965 CB SER A 61 -16.159 -2.364 2.324 1.00 0.00 C ATOM 966 OG SER A 61 -16.464 -1.051 1.887 1.00 0.00 O ATOM 0 H SER A 61 -14.609 -4.810 2.340 1.00 0.00 H new ATOM 0 HA SER A 61 -15.547 -2.880 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.078 -2.942 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.705 -2.325 3.314 1.00 0.00 H new ATOM 0 HG SER A 61 -17.074 -0.627 2.526 1.00 0.00 H new ATOM 972 N ILE A 62 -13.446 -1.565 0.618 1.00 0.00 N ATOM 973 CA ILE A 62 -12.129 -0.942 0.654 1.00 0.00 C ATOM 974 C ILE A 62 -12.052 0.120 1.744 1.00 0.00 C ATOM 975 O ILE A 62 -12.815 1.088 1.739 1.00 0.00 O ATOM 976 CB ILE A 62 -11.774 -0.299 -0.700 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.734 -1.362 -1.800 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.440 0.426 -0.608 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.670 -0.784 -3.196 1.00 0.00 C ATOM 0 H ILE A 62 -14.053 -1.227 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.412 -1.733 0.871 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.545 0.429 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.868 -2.005 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.619 -1.993 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.203 0.875 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.502 1.206 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.658 -0.283 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.644 -1.594 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.549 -0.164 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.771 -0.176 -3.297 1.00 0.00 H new ATOM 991 N LEU A 63 -11.126 -0.065 2.679 1.00 0.00 N ATOM 992 CA LEU A 63 -10.948 0.879 3.777 1.00 0.00 C ATOM 993 C LEU A 63 -10.331 2.183 3.279 1.00 0.00 C ATOM 994 O LEU A 63 -10.760 3.270 3.663 1.00 0.00 O ATOM 995 CB LEU A 63 -10.064 0.266 4.864 1.00 0.00 C ATOM 996 CG LEU A 63 -10.458 -1.133 5.340 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.393 -1.702 6.264 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.810 -1.097 6.038 1.00 0.00 C ATOM 0 H LEU A 63 -10.487 -0.860 2.699 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.929 1.100 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.040 0.227 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.065 0.935 5.725 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.538 -1.784 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.691 -2.698 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.444 -1.764 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.279 -1.052 7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.075 -2.101 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.757 -0.432 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.568 -0.733 5.345 1.00 0.00 H new ATOM 1010 N GLY A 64 -9.323 2.064 2.420 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.665 3.241 1.883 1.00 0.00 C ATOM 1012 C GLY A 64 -7.851 2.933 0.641 1.00 0.00 C ATOM 1013 O GLY A 64 -7.175 1.907 0.573 1.00 0.00 O ATOM 0 H GLY A 64 -8.951 1.175 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.414 3.996 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.013 3.668 2.645 1.00 0.00 H new ATOM 1017 N SER A 65 -7.916 3.824 -0.343 1.00 0.00 N ATOM 1018 CA SER A 65 -7.184 3.640 -1.591 1.00 0.00 C ATOM 1019 C SER A 65 -6.025 4.627 -1.691 1.00 0.00 C ATOM 1020 O SER A 65 -6.111 5.753 -1.200 1.00 0.00 O ATOM 1021 CB SER A 65 -8.121 3.813 -2.787 1.00 0.00 C ATOM 1022 OG SER A 65 -9.202 2.898 -2.725 1.00 0.00 O ATOM 0 H SER A 65 -8.468 4.681 -0.300 1.00 0.00 H new ATOM 0 HA SER A 65 -6.779 2.628 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.505 4.833 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.566 3.662 -3.713 1.00 0.00 H new ATOM 0 HG SER A 65 -9.012 2.127 -3.300 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.943 4.196 -2.330 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.767 5.042 -2.495 1.00 0.00 C ATOM 1030 C ILE A 66 -3.162 4.875 -3.885 1.00 0.00 C ATOM 1031 O ILE A 66 -2.772 3.781 -4.293 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.692 4.725 -1.439 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.260 4.913 -0.030 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.471 5.608 -1.645 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.414 4.279 1.052 1.00 0.00 C ATOM 0 H ILE A 66 -4.856 3.267 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.099 6.072 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.387 3.685 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.358 5.979 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.263 4.488 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.720 5.372 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.057 5.431 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.760 6.655 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.877 4.452 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.337 3.207 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.418 4.721 1.041 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.080 5.987 -4.632 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.521 5.990 -5.987 1.00 0.00 C ATOM 1049 C PRO A 67 -1.014 5.757 -5.993 1.00 0.00 C ATOM 1050 O PRO A 67 -0.253 6.533 -5.414 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.846 7.395 -6.501 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.966 8.230 -5.273 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.526 7.325 -4.210 1.00 0.00 C ATOM 0 HA PRO A 67 -2.935 5.190 -6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.060 7.768 -7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.772 7.402 -7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.996 8.628 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.622 9.084 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.145 7.582 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.613 7.389 -4.159 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.589 4.684 -6.651 1.00 0.00 N ATOM 1062 CA LEU A 68 0.829 4.348 -6.733 1.00 0.00 C ATOM 1063 C LEU A 68 1.467 4.980 -7.966 1.00 0.00 C ATOM 1064 O LEU A 68 2.673 5.230 -7.994 1.00 0.00 O ATOM 1065 CB LEU A 68 1.012 2.830 -6.770 1.00 0.00 C ATOM 1066 CG LEU A 68 0.898 2.107 -5.427 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.715 0.613 -5.640 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.125 2.380 -4.569 1.00 0.00 C ATOM 0 H LEU A 68 -1.206 4.032 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 68 1.324 4.745 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.270 2.411 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.992 2.613 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 68 0.021 2.488 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.636 0.115 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.194 0.436 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.572 0.215 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.027 1.858 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.017 2.027 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.211 3.451 -4.388 1.00 0.00 H new ATOM 1080 N LEU A 69 0.651 5.237 -8.982 1.00 0.00 N ATOM 1081 CA LEU A 69 1.136 5.842 -10.218 1.00 0.00 C ATOM 1082 C LEU A 69 1.799 7.187 -9.942 1.00 0.00 C ATOM 1083 O LEU A 69 2.457 7.757 -10.813 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.018 6.023 -11.206 1.00 0.00 C ATOM 1085 CG LEU A 69 -1.343 6.499 -10.612 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -2.110 7.340 -11.621 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -2.181 5.313 -10.157 1.00 0.00 C ATOM 0 H LEU A 69 -0.349 5.036 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 69 1.879 5.174 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.292 6.737 -11.969 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.190 5.072 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.126 7.120 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.051 7.670 -11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.514 8.210 -11.897 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.316 6.744 -12.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.121 5.671 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.388 4.666 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.635 4.751 -9.399 1.00 0.00 H new ATOM 1099 N SER A 70 1.624 7.689 -8.723 1.00 0.00 N ATOM 1100 CA SER A 70 2.205 8.969 -8.333 1.00 0.00 C ATOM 1101 C SER A 70 3.186 8.790 -7.178 1.00 0.00 C ATOM 1102 O SER A 70 3.308 9.656 -6.312 1.00 0.00 O ATOM 1103 CB SER A 70 1.103 9.952 -7.933 1.00 0.00 C ATOM 1104 OG SER A 70 0.147 9.332 -7.091 1.00 0.00 O ATOM 0 H SER A 70 1.085 7.229 -7.989 1.00 0.00 H new ATOM 0 HA SER A 70 2.747 9.371 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.543 10.807 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.611 10.335 -8.827 1.00 0.00 H new ATOM 0 HG SER A 70 -0.545 9.982 -6.848 1.00 0.00 H new ATOM 1110 N PHE A 71 3.884 7.659 -7.174 1.00 0.00 N ATOM 1111 CA PHE A 71 4.855 7.365 -6.126 1.00 0.00 C ATOM 1112 C PHE A 71 6.086 6.674 -6.704 1.00 0.00 C ATOM 1113 O PHE A 71 6.091 6.257 -7.862 1.00 0.00 O ATOM 1114 CB PHE A 71 4.221 6.484 -5.047 1.00 0.00 C ATOM 1115 CG PHE A 71 3.483 7.262 -3.996 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.262 7.852 -4.281 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.009 7.402 -2.722 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.581 8.569 -3.316 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.332 8.118 -1.752 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.116 8.701 -2.049 1.00 0.00 C ATOM 0 H PHE A 71 3.796 6.932 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 71 5.166 8.309 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.533 5.783 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.001 5.891 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.838 7.750 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.959 6.947 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.631 9.026 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.754 8.221 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.584 9.259 -1.292 1.00 0.00 H new ATOM 1130 N ARG A 72 7.129 6.557 -5.889 1.00 0.00 N ATOM 1131 CA ARG A 72 8.367 5.918 -6.319 1.00 0.00 C ATOM 1132 C ARG A 72 8.788 4.830 -5.335 1.00 0.00 C ATOM 1133 O ARG A 72 9.665 5.042 -4.497 1.00 0.00 O ATOM 1134 CB ARG A 72 9.482 6.957 -6.454 1.00 0.00 C ATOM 1135 CG ARG A 72 9.556 7.595 -7.831 1.00 0.00 C ATOM 1136 CD ARG A 72 10.517 8.774 -7.848 1.00 0.00 C ATOM 1137 NE ARG A 72 10.367 9.585 -9.054 1.00 0.00 N ATOM 1138 CZ ARG A 72 11.058 10.696 -9.283 1.00 0.00 C ATOM 1139 NH1 ARG A 72 11.942 11.126 -8.393 1.00 0.00 N ATOM 1140 NH2 ARG A 72 10.866 11.379 -10.404 1.00 0.00 N ATOM 0 H ARG A 72 7.142 6.896 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 72 8.190 5.457 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.332 7.738 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.438 6.483 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.877 6.852 -8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.563 7.929 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.344 9.395 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.541 8.408 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 72 9.695 9.281 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.093 10.603 -7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.471 11.979 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.187 11.051 -11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.397 12.232 -10.579 1.00 0.00 H new ATOM 1154 N VAL A 73 8.157 3.665 -5.443 1.00 0.00 N ATOM 1155 CA VAL A 73 8.466 2.544 -4.564 1.00 0.00 C ATOM 1156 C VAL A 73 9.950 2.200 -4.613 1.00 0.00 C ATOM 1157 O VAL A 73 10.598 2.348 -5.649 1.00 0.00 O ATOM 1158 CB VAL A 73 7.647 1.294 -4.940 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.881 0.179 -3.932 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.168 1.636 -5.035 1.00 0.00 C ATOM 0 H VAL A 73 7.429 3.473 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 73 8.201 2.852 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 73 7.979 0.943 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.294 -0.695 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.939 -0.083 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.577 0.515 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.604 0.742 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.819 2.012 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.019 2.400 -5.799 1.00 0.00 H new ATOM 1170 N ALA A 74 10.482 1.738 -3.486 1.00 0.00 N ATOM 1171 CA ALA A 74 11.890 1.370 -3.401 1.00 0.00 C ATOM 1172 C ALA A 74 12.202 0.698 -2.068 1.00 0.00 C ATOM 1173 O ALA A 74 11.453 0.837 -1.102 1.00 0.00 O ATOM 1174 CB ALA A 74 12.769 2.596 -3.596 1.00 0.00 C ATOM 0 H ALA A 74 9.959 1.610 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 74 12.102 0.655 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.818 2.306 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.574 3.031 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.546 3.330 -2.822 1.00 0.00 H new ATOM 1180 N ALA A 75 13.314 -0.029 -2.024 1.00 0.00 N ATOM 1181 CA ALA A 75 13.725 -0.721 -0.808 1.00 0.00 C ATOM 1182 C ALA A 75 14.357 0.247 0.187 1.00 0.00 C ATOM 1183 O ALA A 75 14.852 1.308 -0.193 1.00 0.00 O ATOM 1184 CB ALA A 75 14.695 -1.844 -1.143 1.00 0.00 C ATOM 0 H ALA A 75 13.946 -0.154 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 75 12.836 -1.149 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.994 -2.352 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.211 -2.556 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.577 -1.430 -1.632 1.00 0.00 H new ATOM 1190 N VAL A 76 14.337 -0.126 1.462 1.00 0.00 N ATOM 1191 CA VAL A 76 14.908 0.709 2.512 1.00 0.00 C ATOM 1192 C VAL A 76 16.430 0.625 2.514 1.00 0.00 C ATOM 1193 O VAL A 76 17.008 -0.343 2.020 1.00 0.00 O ATOM 1194 CB VAL A 76 14.381 0.302 3.902 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.976 0.843 4.119 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.411 -1.210 4.060 1.00 0.00 C ATOM 0 H VAL A 76 13.931 -1.001 1.793 1.00 0.00 H new ATOM 0 HA VAL A 76 14.603 1.734 2.302 1.00 0.00 H new ATOM 0 HB VAL A 76 15.032 0.736 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.620 0.546 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.990 1.931 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.309 0.441 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.036 -1.480 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.784 -1.668 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.435 -1.567 3.951 1.00 0.00 H new ATOM 1206 N GLN A 77 17.073 1.646 3.071 1.00 0.00 N ATOM 1207 CA GLN A 77 18.529 1.687 3.137 1.00 0.00 C ATOM 1208 C GLN A 77 19.029 1.163 4.479 1.00 0.00 C ATOM 1209 O GLN A 77 18.307 1.149 5.475 1.00 0.00 O ATOM 1210 CB GLN A 77 19.030 3.115 2.915 1.00 0.00 C ATOM 1211 CG GLN A 77 19.120 3.508 1.449 1.00 0.00 C ATOM 1212 CD GLN A 77 20.191 4.549 1.188 1.00 0.00 C ATOM 1213 OE1 GLN A 77 21.380 4.233 1.135 1.00 0.00 O ATOM 1214 NE2 GLN A 77 19.774 5.799 1.024 1.00 0.00 N ATOM 0 H GLN A 77 16.609 2.456 3.483 1.00 0.00 H new ATOM 0 HA GLN A 77 18.921 1.045 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.364 3.809 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.014 3.221 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.328 2.621 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.155 3.895 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.779 6.016 1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 77 20.449 6.543 0.846 1.00 0.00 H new ATOM 1223 N PRO A 78 20.295 0.720 4.507 1.00 0.00 N ATOM 1224 CA PRO A 78 20.920 0.187 5.721 1.00 0.00 C ATOM 1225 C PRO A 78 21.171 1.267 6.767 1.00 0.00 C ATOM 1226 O PRO A 78 21.713 0.994 7.838 1.00 0.00 O ATOM 1227 CB PRO A 78 22.246 -0.386 5.215 1.00 0.00 C ATOM 1228 CG PRO A 78 22.546 0.388 3.978 1.00 0.00 C ATOM 1229 CD PRO A 78 21.214 0.707 3.356 1.00 0.00 C ATOM 0 HA PRO A 78 20.285 -0.546 6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.036 -0.269 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.162 -1.452 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 78 23.096 1.300 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.167 -0.192 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 78 21.230 1.669 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.925 -0.042 2.619 1.00 0.00 H new ATOM 1237 N SER A 79 20.774 2.495 6.449 1.00 0.00 N ATOM 1238 CA SER A 79 20.959 3.619 7.360 1.00 0.00 C ATOM 1239 C SER A 79 19.629 4.304 7.656 1.00 0.00 C ATOM 1240 O SER A 79 19.584 5.500 7.944 1.00 0.00 O ATOM 1241 CB SER A 79 21.945 4.627 6.767 1.00 0.00 C ATOM 1242 OG SER A 79 23.225 4.046 6.591 1.00 0.00 O ATOM 0 H SER A 79 20.322 2.737 5.567 1.00 0.00 H new ATOM 0 HA SER A 79 21.364 3.233 8.295 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.570 4.986 5.808 1.00 0.00 H new ATOM 0 HB3 SER A 79 22.023 5.494 7.424 1.00 0.00 H new ATOM 0 HG SER A 79 23.836 4.710 6.209 1.00 0.00 H new ATOM 1248 N ASP A 80 18.546 3.537 7.581 1.00 0.00 N ATOM 1249 CA ASP A 80 17.213 4.069 7.841 1.00 0.00 C ATOM 1250 C ASP A 80 16.692 3.590 9.192 1.00 0.00 C ATOM 1251 O ASP A 80 17.311 2.753 9.846 1.00 0.00 O ATOM 1252 CB ASP A 80 16.249 3.650 6.731 1.00 0.00 C ATOM 1253 CG ASP A 80 16.490 4.405 5.438 1.00 0.00 C ATOM 1254 OD1 ASP A 80 17.603 4.944 5.265 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.565 4.459 4.601 1.00 0.00 O ATOM 0 H ASP A 80 18.565 2.545 7.342 1.00 0.00 H new ATOM 0 HA ASP A 80 17.280 5.157 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.353 2.580 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.224 3.819 7.061 1.00 0.00 H new ATOM 1260 N ASN A 81 15.549 4.130 9.604 1.00 0.00 N ATOM 1261 CA ASN A 81 14.945 3.759 10.879 1.00 0.00 C ATOM 1262 C ASN A 81 13.978 2.592 10.704 1.00 0.00 C ATOM 1263 O ASN A 81 12.852 2.626 11.201 1.00 0.00 O ATOM 1264 CB ASN A 81 14.211 4.957 11.487 1.00 0.00 C ATOM 1265 CG ASN A 81 12.949 5.309 10.724 1.00 0.00 C ATOM 1266 OD1 ASN A 81 11.848 4.909 11.105 1.00 0.00 O ATOM 1267 ND2 ASN A 81 13.102 6.061 9.641 1.00 0.00 N ATOM 0 H ASN A 81 15.023 4.825 9.074 1.00 0.00 H new ATOM 0 HA ASN A 81 15.743 3.449 11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.956 4.736 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.877 5.820 11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.288 6.330 9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.033 6.370 9.362 1.00 0.00 H new ATOM 1274 N ILE A 82 14.426 1.562 9.995 1.00 0.00 N ATOM 1275 CA ILE A 82 13.602 0.384 9.756 1.00 0.00 C ATOM 1276 C ILE A 82 14.301 -0.884 10.235 1.00 0.00 C ATOM 1277 O ILE A 82 15.270 -1.338 9.626 1.00 0.00 O ATOM 1278 CB ILE A 82 13.256 0.232 8.262 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.479 1.455 7.770 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.454 -1.040 8.031 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.184 1.689 8.516 1.00 0.00 C ATOM 0 H ILE A 82 15.355 1.519 9.576 1.00 0.00 H new ATOM 0 HA ILE A 82 12.681 0.524 10.322 1.00 0.00 H new ATOM 0 HB ILE A 82 14.184 0.161 7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.109 2.339 7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.261 1.334 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.217 -1.133 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.040 -1.902 8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.530 -0.997 8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.687 2.572 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.534 0.822 8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.396 1.842 9.574 1.00 0.00 H new ATOM 1293 N SER A 83 13.803 -1.451 11.329 1.00 0.00 N ATOM 1294 CA SER A 83 14.382 -2.665 11.891 1.00 0.00 C ATOM 1295 C SER A 83 14.313 -3.814 10.890 1.00 0.00 C ATOM 1296 O SER A 83 15.274 -4.566 10.725 1.00 0.00 O ATOM 1297 CB SER A 83 13.654 -3.053 13.180 1.00 0.00 C ATOM 1298 OG SER A 83 13.987 -2.172 14.239 1.00 0.00 O ATOM 0 H SER A 83 13.000 -1.089 11.844 1.00 0.00 H new ATOM 0 HA SER A 83 15.429 -2.467 12.119 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.577 -3.035 13.013 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.916 -4.074 13.456 1.00 0.00 H new ATOM 0 HG SER A 83 13.508 -2.440 15.051 1.00 0.00 H new ATOM 1304 N ARG A 84 13.170 -3.943 10.224 1.00 0.00 N ATOM 1305 CA ARG A 84 12.975 -5.000 9.239 1.00 0.00 C ATOM 1306 C ARG A 84 13.976 -4.870 8.095 1.00 0.00 C ATOM 1307 O ARG A 84 14.254 -3.768 7.621 1.00 0.00 O ATOM 1308 CB ARG A 84 11.548 -4.956 8.689 1.00 0.00 C ATOM 1309 CG ARG A 84 10.490 -5.339 9.711 1.00 0.00 C ATOM 1310 CD ARG A 84 9.167 -4.642 9.431 1.00 0.00 C ATOM 1311 NE ARG A 84 8.146 -4.992 10.415 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.452 -6.124 10.383 1.00 0.00 C ATOM 1313 NH1 ARG A 84 7.670 -7.012 9.423 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.539 -6.370 11.314 1.00 0.00 N ATOM 0 H ARG A 84 12.365 -3.329 10.349 1.00 0.00 H new ATOM 0 HA ARG A 84 13.138 -5.957 9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.340 -3.951 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.476 -5.629 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.344 -6.419 9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.836 -5.077 10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.318 -3.563 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.818 -4.913 8.434 1.00 0.00 H new ATOM 0 HE ARG A 84 7.955 -4.331 11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.372 -6.827 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.136 -7.881 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.370 -5.690 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.006 -7.240 11.289 1.00 0.00 H new ATOM 1328 N LYS A 85 14.517 -6.002 7.657 1.00 0.00 N ATOM 1329 CA LYS A 85 15.487 -6.016 6.569 1.00 0.00 C ATOM 1330 C LYS A 85 14.793 -5.861 5.219 1.00 0.00 C ATOM 1331 O LYS A 85 14.962 -4.851 4.536 1.00 0.00 O ATOM 1332 CB LYS A 85 16.292 -7.317 6.594 1.00 0.00 C ATOM 1333 CG LYS A 85 17.518 -7.257 7.489 1.00 0.00 C ATOM 1334 CD LYS A 85 18.442 -8.439 7.249 1.00 0.00 C ATOM 1335 CE LYS A 85 19.539 -8.511 8.300 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.011 -8.935 9.626 1.00 0.00 N ATOM 0 H LYS A 85 14.300 -6.922 8.039 1.00 0.00 H new ATOM 0 HA LYS A 85 16.164 -5.173 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.646 -8.128 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.605 -7.560 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.058 -6.328 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.207 -7.244 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.864 -9.363 7.261 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.890 -8.357 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.308 -9.212 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.016 -7.535 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.803 -9.184 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.468 -8.155 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.392 -9.762 9.505 1.00 0.00 H new ATOM 1350 N HIS A 86 14.011 -6.867 4.842 1.00 0.00 N ATOM 1351 CA HIS A 86 13.290 -6.841 3.574 1.00 0.00 C ATOM 1352 C HIS A 86 12.106 -5.881 3.643 1.00 0.00 C ATOM 1353 O HIS A 86 10.965 -6.298 3.847 1.00 0.00 O ATOM 1354 CB HIS A 86 12.803 -8.244 3.211 1.00 0.00 C ATOM 1355 CG HIS A 86 13.690 -9.337 3.722 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.983 -9.526 3.280 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.465 -10.301 4.645 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.514 -10.560 3.908 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.614 -11.048 4.742 1.00 0.00 N ATOM 0 H HIS A 86 13.860 -7.710 5.396 1.00 0.00 H new ATOM 0 HA HIS A 86 13.975 -6.491 2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.799 -8.386 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.729 -8.325 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.552 -10.454 5.202 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.514 -10.941 3.764 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.750 -11.849 5.358 1.00 0.00 H new ATOM 1368 N THR A 87 12.384 -4.592 3.471 1.00 0.00 N ATOM 1369 CA THR A 87 11.343 -3.573 3.515 1.00 0.00 C ATOM 1370 C THR A 87 11.478 -2.599 2.351 1.00 0.00 C ATOM 1371 O THR A 87 12.551 -2.465 1.761 1.00 0.00 O ATOM 1372 CB THR A 87 11.386 -2.784 4.837 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.069 -3.648 5.934 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.408 -1.619 4.804 1.00 0.00 C ATOM 0 H THR A 87 13.322 -4.229 3.300 1.00 0.00 H new ATOM 0 HA THR A 87 10.388 -4.093 3.441 1.00 0.00 H new ATOM 0 HB THR A 87 12.394 -2.389 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.802 -4.283 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.456 -1.077 5.748 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.669 -0.948 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.397 -1.997 4.654 1.00 0.00 H new ATOM 1382 N PHE A 88 10.384 -1.920 2.023 1.00 0.00 N ATOM 1383 CA PHE A 88 10.380 -0.957 0.928 1.00 0.00 C ATOM 1384 C PHE A 88 9.313 0.111 1.147 1.00 0.00 C ATOM 1385 O PHE A 88 8.158 -0.199 1.443 1.00 0.00 O ATOM 1386 CB PHE A 88 10.139 -1.670 -0.404 1.00 0.00 C ATOM 1387 CG PHE A 88 8.839 -2.420 -0.456 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.664 -3.581 0.280 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.792 -1.964 -1.241 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.469 -4.273 0.233 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.594 -2.653 -1.292 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.432 -3.808 -0.553 1.00 0.00 C ATOM 0 H PHE A 88 9.488 -2.019 2.500 1.00 0.00 H new ATOM 0 HA PHE A 88 11.355 -0.470 0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.158 -0.935 -1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.958 -2.365 -0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.470 -3.949 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.913 -1.060 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.345 -5.177 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.786 -2.288 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.497 -4.347 -0.589 1.00 0.00 H new ATOM 1402 N LYS A 89 9.707 1.372 1.000 1.00 0.00 N ATOM 1403 CA LYS A 89 8.786 2.488 1.180 1.00 0.00 C ATOM 1404 C LYS A 89 8.594 3.251 -0.127 1.00 0.00 C ATOM 1405 O LYS A 89 9.504 3.327 -0.952 1.00 0.00 O ATOM 1406 CB LYS A 89 9.306 3.435 2.264 1.00 0.00 C ATOM 1407 CG LYS A 89 10.391 4.380 1.777 1.00 0.00 C ATOM 1408 CD LYS A 89 11.769 3.749 1.885 1.00 0.00 C ATOM 1409 CE LYS A 89 12.300 3.332 0.522 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.976 4.459 -0.178 1.00 0.00 N ATOM 0 H LYS A 89 10.659 1.646 0.757 1.00 0.00 H new ATOM 0 HA LYS A 89 7.822 2.085 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.473 4.021 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.695 2.845 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.196 4.656 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.364 5.299 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.459 4.457 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.722 2.879 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.001 2.506 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.477 2.965 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.455 4.102 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.270 5.172 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.676 4.892 0.457 1.00 0.00 H new ATOM 1424 N ALA A 90 7.405 3.816 -0.308 1.00 0.00 N ATOM 1425 CA ALA A 90 7.096 4.576 -1.512 1.00 0.00 C ATOM 1426 C ALA A 90 6.942 6.061 -1.200 1.00 0.00 C ATOM 1427 O ALA A 90 6.325 6.434 -0.203 1.00 0.00 O ATOM 1428 CB ALA A 90 5.831 4.039 -2.165 1.00 0.00 C ATOM 0 H ALA A 90 6.640 3.762 0.364 1.00 0.00 H new ATOM 0 HA ALA A 90 7.928 4.462 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.612 4.616 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.976 2.992 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.998 4.123 -1.468 1.00 0.00 H new ATOM 1434 N GLU A 91 7.509 6.903 -2.058 1.00 0.00 N ATOM 1435 CA GLU A 91 7.436 8.348 -1.872 1.00 0.00 C ATOM 1436 C GLU A 91 6.954 9.037 -3.145 1.00 0.00 C ATOM 1437 O GLU A 91 7.203 8.562 -4.254 1.00 0.00 O ATOM 1438 CB GLU A 91 8.803 8.902 -1.465 1.00 0.00 C ATOM 1439 CG GLU A 91 9.760 9.077 -2.631 1.00 0.00 C ATOM 1440 CD GLU A 91 10.386 7.769 -3.075 1.00 0.00 C ATOM 1441 OE1 GLU A 91 10.352 6.799 -2.288 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.908 7.714 -4.208 1.00 0.00 O ATOM 0 H GLU A 91 8.024 6.610 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 91 6.719 8.550 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.664 9.864 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.254 8.232 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.226 9.523 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.548 9.775 -2.348 1.00 0.00 H new ATOM 1449 N HIS A 92 6.262 10.159 -2.978 1.00 0.00 N ATOM 1450 CA HIS A 92 5.745 10.915 -4.113 1.00 0.00 C ATOM 1451 C HIS A 92 6.412 12.284 -4.204 1.00 0.00 C ATOM 1452 O HIS A 92 6.127 13.065 -5.111 1.00 0.00 O ATOM 1453 CB HIS A 92 4.229 11.080 -3.995 1.00 0.00 C ATOM 1454 CG HIS A 92 3.664 12.105 -4.929 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.843 13.132 -4.513 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.807 12.259 -6.267 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.504 13.871 -5.553 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.076 13.363 -6.630 1.00 0.00 N ATOM 0 H HIS A 92 6.046 10.565 -2.068 1.00 0.00 H new ATOM 0 HA HIS A 92 5.973 10.359 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.751 10.120 -4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.981 11.358 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.388 11.630 -6.926 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.867 14.743 -5.528 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.989 13.731 -7.577 1.00 0.00 H new ATOM 1467 N ALA A 93 7.301 12.568 -3.257 1.00 0.00 N ATOM 1468 CA ALA A 93 8.009 13.842 -3.232 1.00 0.00 C ATOM 1469 C ALA A 93 7.041 15.011 -3.377 1.00 0.00 C ATOM 1470 O ALA A 93 7.319 15.975 -4.089 1.00 0.00 O ATOM 1471 CB ALA A 93 9.060 13.884 -4.331 1.00 0.00 C ATOM 0 H ALA A 93 7.548 11.933 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 93 8.506 13.934 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.581 14.841 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.776 13.076 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.577 13.765 -5.301 1.00 0.00 H new ATOM 1477 N GLY A 94 5.901 14.918 -2.698 1.00 0.00 N ATOM 1478 CA GLY A 94 4.909 15.975 -2.766 1.00 0.00 C ATOM 1479 C GLY A 94 3.813 15.809 -1.732 1.00 0.00 C ATOM 1480 O GLY A 94 3.357 16.787 -1.138 1.00 0.00 O ATOM 0 H GLY A 94 5.647 14.130 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.398 16.938 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.466 15.990 -3.762 1.00 0.00 H new ATOM 1484 N VAL A 95 3.389 14.569 -1.516 1.00 0.00 N ATOM 1485 CA VAL A 95 2.339 14.278 -0.546 1.00 0.00 C ATOM 1486 C VAL A 95 2.917 13.657 0.720 1.00 0.00 C ATOM 1487 O VAL A 95 2.926 14.280 1.782 1.00 0.00 O ATOM 1488 CB VAL A 95 1.280 13.327 -1.134 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.224 12.993 -0.091 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.643 13.939 -2.373 1.00 0.00 C ATOM 0 H VAL A 95 3.756 13.749 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 95 1.866 15.228 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 95 1.773 12.400 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.516 12.320 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.697 12.510 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.267 13.910 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.103 13.253 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.164 14.881 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.411 14.121 -3.125 1.00 0.00 H new ATOM 1500 N ARG A 96 3.401 12.424 0.601 1.00 0.00 N ATOM 1501 CA ARG A 96 3.981 11.718 1.736 1.00 0.00 C ATOM 1502 C ARG A 96 4.751 10.484 1.273 1.00 0.00 C ATOM 1503 O ARG A 96 4.871 10.227 0.075 1.00 0.00 O ATOM 1504 CB ARG A 96 2.886 11.308 2.723 1.00 0.00 C ATOM 1505 CG ARG A 96 2.091 10.090 2.279 1.00 0.00 C ATOM 1506 CD ARG A 96 0.888 9.852 3.178 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.026 10.991 3.182 1.00 0.00 N ATOM 1508 CZ ARG A 96 0.104 12.035 3.994 1.00 0.00 C ATOM 1509 NH1 ARG A 96 1.105 12.083 4.863 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -0.768 13.033 3.938 1.00 0.00 N ATOM 0 H ARG A 96 3.402 11.894 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 96 4.676 12.393 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.341 11.101 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.203 12.146 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.757 10.227 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.735 9.210 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.356 8.961 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.228 9.657 4.195 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.807 10.985 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.777 11.317 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.202 12.886 5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.539 13.000 3.271 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.667 13.834 4.562 1.00 0.00 H new ATOM 1524 N THR A 97 5.272 9.724 2.231 1.00 0.00 N ATOM 1525 CA THR A 97 6.032 8.519 1.923 1.00 0.00 C ATOM 1526 C THR A 97 5.534 7.331 2.738 1.00 0.00 C ATOM 1527 O THR A 97 5.766 7.253 3.944 1.00 0.00 O ATOM 1528 CB THR A 97 7.535 8.719 2.193 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.029 9.822 1.426 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.319 7.462 1.846 1.00 0.00 C ATOM 0 H THR A 97 5.181 9.922 3.228 1.00 0.00 H new ATOM 0 HA THR A 97 5.885 8.315 0.862 1.00 0.00 H new ATOM 0 HB THR A 97 7.666 8.929 3.255 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.985 9.943 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.378 7.627 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.961 6.631 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.180 7.226 0.791 1.00 0.00 H new ATOM 1538 N TYR A 98 4.848 6.409 2.072 1.00 0.00 N ATOM 1539 CA TYR A 98 4.315 5.225 2.735 1.00 0.00 C ATOM 1540 C TYR A 98 5.383 4.142 2.857 1.00 0.00 C ATOM 1541 O TYR A 98 6.354 4.122 2.100 1.00 0.00 O ATOM 1542 CB TYR A 98 3.109 4.683 1.966 1.00 0.00 C ATOM 1543 CG TYR A 98 1.821 5.414 2.269 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.149 5.212 3.468 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.275 6.307 1.355 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.029 5.877 3.748 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.098 6.977 1.627 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.551 6.758 2.824 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.723 7.424 3.100 1.00 0.00 O ATOM 0 H TYR A 98 4.648 6.459 1.073 1.00 0.00 H new ATOM 0 HA TYR A 98 3.999 5.513 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.311 4.748 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.982 3.627 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.555 4.523 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.779 6.480 0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.538 5.708 4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.312 7.669 0.906 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.953 8.007 2.347 1.00 0.00 H new ATOM 1559 N PHE A 99 5.197 3.242 3.817 1.00 0.00 N ATOM 1560 CA PHE A 99 6.143 2.155 4.040 1.00 0.00 C ATOM 1561 C PHE A 99 5.447 0.800 3.946 1.00 0.00 C ATOM 1562 O PHE A 99 4.267 0.672 4.272 1.00 0.00 O ATOM 1563 CB PHE A 99 6.810 2.305 5.409 1.00 0.00 C ATOM 1564 CG PHE A 99 8.006 3.213 5.397 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.847 4.590 5.402 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.289 2.691 5.381 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.946 5.428 5.391 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.391 3.524 5.371 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.219 4.895 5.375 1.00 0.00 C ATOM 0 H PHE A 99 4.400 3.244 4.453 1.00 0.00 H new ATOM 0 HA PHE A 99 6.906 2.206 3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.079 2.690 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.114 1.321 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.853 5.013 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.429 1.620 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.809 6.499 5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.386 3.104 5.360 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.079 5.548 5.366 1.00 0.00 H new ATOM 1579 N PHE A 100 6.187 -0.208 3.498 1.00 0.00 N ATOM 1580 CA PHE A 100 5.642 -1.554 3.359 1.00 0.00 C ATOM 1581 C PHE A 100 6.748 -2.601 3.453 1.00 0.00 C ATOM 1582 O PHE A 100 7.687 -2.600 2.656 1.00 0.00 O ATOM 1583 CB PHE A 100 4.904 -1.693 2.026 1.00 0.00 C ATOM 1584 CG PHE A 100 3.975 -0.549 1.733 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.737 -0.471 2.350 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.340 0.446 0.841 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.879 0.580 2.083 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.487 1.499 0.571 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.255 1.566 1.192 1.00 0.00 C ATOM 0 H PHE A 100 7.166 -0.119 3.225 1.00 0.00 H new ATOM 0 HA PHE A 100 4.938 -1.720 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.635 -1.772 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.334 -2.622 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.439 -1.240 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.301 0.398 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.917 0.630 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.783 2.269 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.587 2.388 0.981 1.00 0.00 H new ATOM 1599 N SER A 101 6.630 -3.492 4.431 1.00 0.00 N ATOM 1600 CA SER A 101 7.621 -4.542 4.633 1.00 0.00 C ATOM 1601 C SER A 101 7.064 -5.902 4.221 1.00 0.00 C ATOM 1602 O SER A 101 5.854 -6.070 4.074 1.00 0.00 O ATOM 1603 CB SER A 101 8.063 -4.582 6.097 1.00 0.00 C ATOM 1604 OG SER A 101 9.041 -5.586 6.307 1.00 0.00 O ATOM 0 H SER A 101 5.857 -3.508 5.097 1.00 0.00 H new ATOM 0 HA SER A 101 8.484 -4.317 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.466 -3.611 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.200 -4.771 6.736 1.00 0.00 H new ATOM 0 HG SER A 101 9.935 -5.189 6.249 1.00 0.00 H new ATOM 1610 N ALA A 102 7.956 -6.869 4.037 1.00 0.00 N ATOM 1611 CA ALA A 102 7.555 -8.214 3.644 1.00 0.00 C ATOM 1612 C ALA A 102 8.252 -9.267 4.499 1.00 0.00 C ATOM 1613 O ALA A 102 9.439 -9.147 4.801 1.00 0.00 O ATOM 1614 CB ALA A 102 7.855 -8.445 2.170 1.00 0.00 C ATOM 0 H ALA A 102 8.962 -6.746 4.154 1.00 0.00 H new ATOM 0 HA ALA A 102 6.481 -8.307 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.550 -9.454 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.306 -7.720 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.924 -8.327 1.993 1.00 0.00 H new ATOM 1620 N GLU A 103 7.506 -10.297 4.887 1.00 0.00 N ATOM 1621 CA GLU A 103 8.054 -11.369 5.709 1.00 0.00 C ATOM 1622 C GLU A 103 9.352 -11.904 5.111 1.00 0.00 C ATOM 1623 O GLU A 103 10.371 -11.998 5.795 1.00 0.00 O ATOM 1624 CB GLU A 103 7.038 -12.504 5.849 1.00 0.00 C ATOM 1625 CG GLU A 103 5.824 -12.135 6.685 1.00 0.00 C ATOM 1626 CD GLU A 103 6.048 -12.355 8.169 1.00 0.00 C ATOM 1627 OE1 GLU A 103 6.742 -11.527 8.794 1.00 0.00 O ATOM 1628 OE2 GLU A 103 5.529 -13.357 8.704 1.00 0.00 O ATOM 0 H GLU A 103 6.522 -10.411 4.645 1.00 0.00 H new ATOM 0 HA GLU A 103 8.270 -10.961 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.706 -12.808 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.529 -13.367 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.572 -11.089 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.969 -12.727 6.359 1.00 0.00 H new ATOM 1635 N SER A 104 9.305 -12.255 3.830 1.00 0.00 N ATOM 1636 CA SER A 104 10.475 -12.785 3.139 1.00 0.00 C ATOM 1637 C SER A 104 10.967 -11.809 2.075 1.00 0.00 C ATOM 1638 O SER A 104 10.233 -10.938 1.609 1.00 0.00 O ATOM 1639 CB SER A 104 10.147 -14.134 2.497 1.00 0.00 C ATOM 1640 OG SER A 104 10.401 -15.201 3.394 1.00 0.00 O ATOM 0 H SER A 104 8.469 -12.182 3.249 1.00 0.00 H new ATOM 0 HA SER A 104 11.268 -12.924 3.874 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.100 -14.151 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.743 -14.265 1.594 1.00 0.00 H new ATOM 0 HG SER A 104 10.182 -16.052 2.960 1.00 0.00 H new ATOM 1646 N PRO A 105 12.241 -11.957 1.681 1.00 0.00 N ATOM 1647 CA PRO A 105 12.861 -11.098 0.667 1.00 0.00 C ATOM 1648 C PRO A 105 12.297 -11.348 -0.727 1.00 0.00 C ATOM 1649 O PRO A 105 12.313 -10.462 -1.581 1.00 0.00 O ATOM 1650 CB PRO A 105 14.339 -11.491 0.726 1.00 0.00 C ATOM 1651 CG PRO A 105 14.340 -12.885 1.249 1.00 0.00 C ATOM 1652 CD PRO A 105 13.174 -12.974 2.195 1.00 0.00 C ATOM 0 HA PRO A 105 12.679 -10.041 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.802 -11.438 -0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.900 -10.823 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.240 -13.606 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.276 -13.109 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.727 -13.968 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.472 -12.763 3.222 1.00 0.00 H new ATOM 1660 N GLU A 106 11.800 -12.561 -0.951 1.00 0.00 N ATOM 1661 CA GLU A 106 11.232 -12.926 -2.243 1.00 0.00 C ATOM 1662 C GLU A 106 9.966 -12.123 -2.528 1.00 0.00 C ATOM 1663 O GLU A 106 9.730 -11.698 -3.659 1.00 0.00 O ATOM 1664 CB GLU A 106 10.918 -14.423 -2.282 1.00 0.00 C ATOM 1665 CG GLU A 106 12.102 -15.283 -2.691 1.00 0.00 C ATOM 1666 CD GLU A 106 12.269 -15.368 -4.196 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.960 -14.499 -4.767 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.708 -16.305 -4.802 1.00 0.00 O ATOM 0 H GLU A 106 11.779 -13.306 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 106 11.969 -12.696 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.573 -14.739 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.097 -14.595 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.012 -14.875 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.974 -16.287 -2.286 1.00 0.00 H new ATOM 1675 N GLU A 107 9.156 -11.919 -1.494 1.00 0.00 N ATOM 1676 CA GLU A 107 7.914 -11.168 -1.634 1.00 0.00 C ATOM 1677 C GLU A 107 8.195 -9.677 -1.796 1.00 0.00 C ATOM 1678 O GLU A 107 7.536 -8.993 -2.578 1.00 0.00 O ATOM 1679 CB GLU A 107 7.013 -11.399 -0.419 1.00 0.00 C ATOM 1680 CG GLU A 107 6.269 -12.724 -0.456 1.00 0.00 C ATOM 1681 CD GLU A 107 5.157 -12.741 -1.486 1.00 0.00 C ATOM 1682 OE1 GLU A 107 5.467 -12.788 -2.695 1.00 0.00 O ATOM 1683 OE2 GLU A 107 3.975 -12.706 -1.083 1.00 0.00 O ATOM 0 H GLU A 107 9.337 -12.263 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 107 7.403 -11.523 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.620 -11.358 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.289 -10.587 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.974 -13.526 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.850 -12.928 0.529 1.00 0.00 H new ATOM 1690 N GLN A 108 9.177 -9.182 -1.050 1.00 0.00 N ATOM 1691 CA GLN A 108 9.545 -7.772 -1.110 1.00 0.00 C ATOM 1692 C GLN A 108 9.891 -7.360 -2.536 1.00 0.00 C ATOM 1693 O GLN A 108 9.249 -6.482 -3.112 1.00 0.00 O ATOM 1694 CB GLN A 108 10.729 -7.492 -0.183 1.00 0.00 C ATOM 1695 CG GLN A 108 11.303 -6.093 -0.335 1.00 0.00 C ATOM 1696 CD GLN A 108 12.726 -5.986 0.178 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.377 -6.996 0.449 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.216 -4.760 0.314 1.00 0.00 N ATOM 0 H GLN A 108 9.732 -9.736 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 108 8.688 -7.185 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.413 -7.636 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.515 -8.221 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.278 -5.806 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.673 -5.385 0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.641 -3.952 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.168 -4.626 0.655 1.00 0.00 H new ATOM 1707 N GLU A 109 10.911 -8.000 -3.101 1.00 0.00 N ATOM 1708 CA GLU A 109 11.344 -7.698 -4.460 1.00 0.00 C ATOM 1709 C GLU A 109 10.193 -7.870 -5.448 1.00 0.00 C ATOM 1710 O GLU A 109 9.959 -7.014 -6.300 1.00 0.00 O ATOM 1711 CB GLU A 109 12.513 -8.600 -4.859 1.00 0.00 C ATOM 1712 CG GLU A 109 12.080 -9.933 -5.447 1.00 0.00 C ATOM 1713 CD GLU A 109 13.254 -10.833 -5.779 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.204 -10.893 -4.970 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.223 -11.479 -6.848 1.00 0.00 O ATOM 0 H GLU A 109 11.452 -8.730 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 109 11.672 -6.659 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.134 -8.076 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.135 -8.784 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.425 -10.442 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.497 -9.755 -6.350 1.00 0.00 H new ATOM 1722 N ALA A 110 9.479 -8.984 -5.326 1.00 0.00 N ATOM 1723 CA ALA A 110 8.353 -9.270 -6.206 1.00 0.00 C ATOM 1724 C ALA A 110 7.348 -8.122 -6.202 1.00 0.00 C ATOM 1725 O ALA A 110 6.949 -7.630 -7.257 1.00 0.00 O ATOM 1726 CB ALA A 110 7.676 -10.568 -5.794 1.00 0.00 C ATOM 0 H ALA A 110 9.661 -9.703 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 110 8.736 -9.380 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.837 -10.768 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.392 -11.387 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.313 -10.480 -4.770 1.00 0.00 H new ATOM 1732 N TRP A 111 6.943 -7.702 -5.009 1.00 0.00 N ATOM 1733 CA TRP A 111 5.984 -6.613 -4.867 1.00 0.00 C ATOM 1734 C TRP A 111 6.471 -5.361 -5.589 1.00 0.00 C ATOM 1735 O TRP A 111 5.706 -4.704 -6.295 1.00 0.00 O ATOM 1736 CB TRP A 111 5.746 -6.303 -3.388 1.00 0.00 C ATOM 1737 CG TRP A 111 4.613 -7.082 -2.793 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.704 -8.104 -1.892 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.217 -6.903 -3.059 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.450 -8.571 -1.581 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.520 -7.850 -2.284 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.489 -6.033 -3.875 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.132 -7.951 -2.303 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.111 -6.135 -3.894 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.444 -7.087 -3.111 1.00 0.00 C ATOM 0 H TRP A 111 7.264 -8.099 -4.126 1.00 0.00 H new ATOM 0 HA TRP A 111 5.044 -6.929 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.657 -6.515 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.544 -5.238 -3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.627 -8.489 -1.484 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.244 -9.331 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.994 -5.294 -4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.616 -8.685 -1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.538 -5.470 -4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.634 -7.140 -3.146 1.00 0.00 H new ATOM 1756 N ILE A 112 7.747 -5.038 -5.408 1.00 0.00 N ATOM 1757 CA ILE A 112 8.335 -3.866 -6.044 1.00 0.00 C ATOM 1758 C ILE A 112 8.203 -3.939 -7.562 1.00 0.00 C ATOM 1759 O ILE A 112 7.975 -2.926 -8.223 1.00 0.00 O ATOM 1760 CB ILE A 112 9.823 -3.713 -5.677 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.971 -3.335 -4.202 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.484 -2.669 -6.565 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.381 -3.488 -3.677 1.00 0.00 C ATOM 0 H ILE A 112 8.393 -5.571 -4.826 1.00 0.00 H new ATOM 0 HA ILE A 112 7.787 -2.999 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 112 10.321 -4.669 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.652 -2.302 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.301 -3.956 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.535 -2.573 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.406 -2.976 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.985 -1.709 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.411 -3.202 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.697 -4.526 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.053 -2.846 -4.246 1.00 0.00 H new ATOM 1775 N GLN A 113 8.344 -5.143 -8.105 1.00 0.00 N ATOM 1776 CA GLN A 113 8.239 -5.348 -9.545 1.00 0.00 C ATOM 1777 C GLN A 113 6.912 -4.815 -10.075 1.00 0.00 C ATOM 1778 O GLN A 113 6.876 -4.092 -11.070 1.00 0.00 O ATOM 1779 CB GLN A 113 8.375 -6.834 -9.881 1.00 0.00 C ATOM 1780 CG GLN A 113 9.708 -7.433 -9.462 1.00 0.00 C ATOM 1781 CD GLN A 113 10.109 -8.621 -10.314 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.918 -9.773 -9.922 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.666 -8.347 -11.488 1.00 0.00 N ATOM 0 H GLN A 113 8.531 -5.991 -7.570 1.00 0.00 H new ATOM 0 HA GLN A 113 9.049 -4.798 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.570 -7.383 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.247 -6.968 -10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.482 -6.668 -9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.651 -7.742 -8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.805 -7.377 -11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.955 -9.106 -12.105 1.00 0.00 H new ATOM 1792 N ALA A 114 5.824 -5.176 -9.404 1.00 0.00 N ATOM 1793 CA ALA A 114 4.495 -4.733 -9.807 1.00 0.00 C ATOM 1794 C ALA A 114 4.234 -3.300 -9.354 1.00 0.00 C ATOM 1795 O ALA A 114 3.865 -2.443 -10.156 1.00 0.00 O ATOM 1796 CB ALA A 114 3.434 -5.667 -9.245 1.00 0.00 C ATOM 0 H ALA A 114 5.836 -5.775 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 114 4.445 -4.758 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.447 -5.324 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.602 -6.676 -9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.492 -5.671 -8.157 1.00 0.00 H new ATOM 1802 N MET A 115 4.427 -3.048 -8.063 1.00 0.00 N ATOM 1803 CA MET A 115 4.213 -1.718 -7.504 1.00 0.00 C ATOM 1804 C MET A 115 5.159 -0.703 -8.138 1.00 0.00 C ATOM 1805 O MET A 115 4.721 0.255 -8.775 1.00 0.00 O ATOM 1806 CB MET A 115 4.413 -1.741 -5.988 1.00 0.00 C ATOM 1807 CG MET A 115 3.169 -2.152 -5.217 1.00 0.00 C ATOM 1808 SD MET A 115 3.153 -1.513 -3.531 1.00 0.00 S ATOM 1809 CE MET A 115 2.597 -2.955 -2.627 1.00 0.00 C ATOM 0 H MET A 115 4.731 -3.747 -7.385 1.00 0.00 H new ATOM 0 HA MET A 115 3.188 -1.419 -7.724 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.224 -2.429 -5.747 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.726 -0.751 -5.656 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.285 -1.795 -5.745 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.106 -3.240 -5.190 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.349 -2.670 -1.604 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.714 -3.370 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.389 -3.704 -2.613 1.00 0.00 H new ATOM 1819 N GLY A 116 6.458 -0.919 -7.960 1.00 0.00 N ATOM 1820 CA GLY A 116 7.445 -0.014 -8.520 1.00 0.00 C ATOM 1821 C GLY A 116 7.110 0.402 -9.938 1.00 0.00 C ATOM 1822 O GLY A 116 7.150 1.587 -10.270 1.00 0.00 O ATOM 0 H GLY A 116 6.845 -1.705 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.518 0.874 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.423 -0.495 -8.507 1.00 0.00 H new ATOM 1826 N GLU A 117 6.780 -0.574 -10.778 1.00 0.00 N ATOM 1827 CA GLU A 117 6.440 -0.302 -12.170 1.00 0.00 C ATOM 1828 C GLU A 117 5.103 0.427 -12.270 1.00 0.00 C ATOM 1829 O GLU A 117 5.032 1.553 -12.762 1.00 0.00 O ATOM 1830 CB GLU A 117 6.384 -1.605 -12.969 1.00 0.00 C ATOM 1831 CG GLU A 117 7.729 -2.034 -13.529 1.00 0.00 C ATOM 1832 CD GLU A 117 7.596 -2.944 -14.735 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.848 -3.940 -14.646 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.240 -2.660 -15.767 1.00 0.00 O ATOM 0 H GLU A 117 6.741 -1.560 -10.519 1.00 0.00 H new ATOM 0 HA GLU A 117 7.216 0.339 -12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.997 -2.398 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.679 -1.487 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.301 -1.149 -13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.295 -2.548 -12.752 1.00 0.00 H new ATOM 1841 N ALA A 118 4.044 -0.224 -11.800 1.00 0.00 N ATOM 1842 CA ALA A 118 2.709 0.361 -11.835 1.00 0.00 C ATOM 1843 C ALA A 118 2.725 1.794 -11.314 1.00 0.00 C ATOM 1844 O ALA A 118 1.836 2.587 -11.623 1.00 0.00 O ATOM 1845 CB ALA A 118 1.740 -0.487 -11.025 1.00 0.00 C ATOM 0 H ALA A 118 4.085 -1.157 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 118 2.375 0.383 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.747 -0.038 -11.060 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.699 -1.493 -11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.079 -0.538 -9.990 1.00 0.00 H new ATOM 1851 N ALA A 119 3.740 2.119 -10.520 1.00 0.00 N ATOM 1852 CA ALA A 119 3.871 3.457 -9.957 1.00 0.00 C ATOM 1853 C ALA A 119 4.405 4.439 -10.994 1.00 0.00 C ATOM 1854 O ALA A 119 3.989 5.597 -11.039 1.00 0.00 O ATOM 1855 CB ALA A 119 4.779 3.430 -8.736 1.00 0.00 C ATOM 0 H ALA A 119 4.483 1.474 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 119 2.880 3.794 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.868 4.436 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.355 2.767 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.766 3.068 -9.024 1.00 0.00 H new ATOM 1861 N ARG A 120 5.329 3.970 -11.826 1.00 0.00 N ATOM 1862 CA ARG A 120 5.922 4.808 -12.861 1.00 0.00 C ATOM 1863 C ARG A 120 4.879 5.744 -13.466 1.00 0.00 C ATOM 1864 O ARG A 120 3.694 5.417 -13.521 1.00 0.00 O ATOM 1865 CB ARG A 120 6.541 3.939 -13.958 1.00 0.00 C ATOM 1866 CG ARG A 120 5.526 3.400 -14.953 1.00 0.00 C ATOM 1867 CD ARG A 120 6.135 2.330 -15.845 1.00 0.00 C ATOM 1868 NE ARG A 120 5.349 2.116 -17.057 1.00 0.00 N ATOM 1869 CZ ARG A 120 5.734 1.324 -18.052 1.00 0.00 C ATOM 1870 NH1 ARG A 120 6.887 0.673 -17.978 1.00 0.00 N ATOM 1871 NH2 ARG A 120 4.964 1.180 -19.123 1.00 0.00 N ATOM 0 H ARG A 120 5.683 3.014 -11.803 1.00 0.00 H new ATOM 0 HA ARG A 120 6.704 5.412 -12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.288 4.524 -14.495 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.063 3.102 -13.495 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.673 2.985 -14.416 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.149 4.217 -15.568 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.150 2.620 -16.117 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.208 1.394 -15.291 1.00 0.00 H new ATOM 0 HE ARG A 120 4.456 2.601 -17.144 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.481 0.780 -17.156 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.180 0.066 -18.743 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.076 1.678 -19.183 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.261 0.572 -19.886 1.00 0.00 H new ATOM 1885 N VAL A 121 5.330 6.910 -13.918 1.00 0.00 N ATOM 1886 CA VAL A 121 4.437 7.893 -14.520 1.00 0.00 C ATOM 1887 C VAL A 121 4.386 7.735 -16.035 1.00 0.00 C ATOM 1888 O VAL A 121 3.497 8.272 -16.695 1.00 0.00 O ATOM 1889 CB VAL A 121 4.873 9.330 -14.178 1.00 0.00 C ATOM 1890 CG1 VAL A 121 3.902 10.338 -14.774 1.00 0.00 C ATOM 1891 CG2 VAL A 121 4.984 9.509 -12.672 1.00 0.00 C ATOM 0 H VAL A 121 6.308 7.197 -13.879 1.00 0.00 H new ATOM 0 HA VAL A 121 3.444 7.714 -14.106 1.00 0.00 H new ATOM 0 HB VAL A 121 5.856 9.507 -14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.226 11.348 -14.522 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.879 10.224 -15.858 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.905 10.165 -14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.293 10.530 -12.449 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.016 9.314 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.722 8.812 -12.276 1.00 0.00 H new ATOM 1901 N GLN A 122 5.346 6.995 -16.580 1.00 0.00 N ATOM 1902 CA GLN A 122 5.411 6.767 -18.019 1.00 0.00 C ATOM 1903 C GLN A 122 4.221 5.938 -18.492 1.00 0.00 C ATOM 1904 O GLN A 122 3.806 6.032 -19.648 1.00 0.00 O ATOM 1905 CB GLN A 122 6.717 6.061 -18.386 1.00 0.00 C ATOM 1906 CG GLN A 122 7.917 6.994 -18.445 1.00 0.00 C ATOM 1907 CD GLN A 122 7.973 7.947 -17.267 1.00 0.00 C ATOM 1908 OE1 GLN A 122 8.313 7.553 -16.151 1.00 0.00 O ATOM 1909 NE2 GLN A 122 7.640 9.209 -17.509 1.00 0.00 N ATOM 0 H GLN A 122 6.089 6.543 -16.047 1.00 0.00 H new ATOM 0 HA GLN A 122 5.378 7.736 -18.517 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.913 5.276 -17.656 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.598 5.574 -19.354 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.832 6.402 -18.472 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.881 7.568 -19.371 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.364 9.492 -18.449 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.660 9.895 -16.755 1.00 0.00 H new TER 1918 GLN A 122