USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 922 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 18 GLN : amide:sc= 0.144 X(o=-0.98,f=-1.5) USER MOD Set 1.2: A 95 TYR OH : rot 0:sc= -1.12 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.792 K(o=0.074,f=-4.1!) USER MOD Set 2.2: A 31 SER OG : rot 98:sc= 0.867 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0624 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.249 K(o=-0.25,f=-5.8!) USER MOD Single : A 10 MET CE :methyl -136:sc= -6.74! (180deg=-11.4!) USER MOD Single : A 13 MET CE :methyl 133:sc= -5.68! (180deg=-5.97!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.314 USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= 0.0191 (180deg=0) USER MOD Single : A 20 MET CE :methyl -168:sc= -2.49 (180deg=-2.66) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.99) USER MOD Single : A 34 ASN : amide:sc= -0.867 K(o=-0.87,f=-3!) USER MOD Single : A 36 TYR OH : rot 165:sc= 0.222 USER MOD Single : A 37 CYS SG : rot 112:sc= -7.33! USER MOD Single : A 43 SER OG : rot -30:sc= 1.07 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.4 F(o=-3,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 91:sc= 0.8 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.77! C(o=-3.9!,f=-2.8!) USER MOD Single : A 86 LYS NZ :NH3+ -147:sc= 1.04 (180deg=-0.417) USER MOD Single : A 90 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.5) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.187) USER MOD Single : A 98 GLN : amide:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 178:sc= -4.73! (180deg=-5.05!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.512! X(o=-0.51!,f=-0.94) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.980 -22.806 3.813 1.00 0.00 N ATOM 2 CA GLY A 1 6.745 -22.224 4.311 1.00 0.00 C ATOM 3 C GLY A 1 5.672 -23.297 4.503 1.00 0.00 C ATOM 4 O GLY A 1 5.713 -24.344 3.858 1.00 0.00 O ATOM 0 H1 GLY A 1 8.719 -22.728 4.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.824 -23.809 3.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.282 -22.299 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.933 -21.719 5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.387 -21.468 3.612 1.00 0.00 H new ATOM 8 N SER A 2 4.736 -23.001 5.393 1.00 0.00 N ATOM 9 CA SER A 2 3.654 -23.928 5.678 1.00 0.00 C ATOM 10 C SER A 2 2.942 -24.315 4.380 1.00 0.00 C ATOM 11 O SER A 2 2.794 -23.491 3.479 1.00 0.00 O ATOM 12 CB SER A 2 2.658 -23.323 6.670 1.00 0.00 C ATOM 13 OG SER A 2 3.012 -23.605 8.021 1.00 0.00 O ATOM 0 H SER A 2 4.705 -22.132 5.926 1.00 0.00 H new ATOM 0 HA SER A 2 4.080 -24.823 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.612 -22.244 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.661 -23.714 6.467 1.00 0.00 H new ATOM 0 HG SER A 2 2.353 -23.200 8.623 1.00 0.00 H new ATOM 19 N SER A 3 2.520 -25.570 4.327 1.00 0.00 N ATOM 20 CA SER A 3 1.827 -26.077 3.154 1.00 0.00 C ATOM 21 C SER A 3 0.409 -25.503 3.096 1.00 0.00 C ATOM 22 O SER A 3 -0.317 -25.531 4.088 1.00 0.00 O ATOM 23 CB SER A 3 1.781 -27.606 3.160 1.00 0.00 C ATOM 24 OG SER A 3 1.622 -28.140 1.848 1.00 0.00 O ATOM 0 H SER A 3 2.644 -26.250 5.077 1.00 0.00 H new ATOM 0 HA SER A 3 2.377 -25.761 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.699 -27.995 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.958 -27.942 3.790 1.00 0.00 H new ATOM 0 HG SER A 3 1.599 -29.119 1.894 1.00 0.00 H new ATOM 30 N GLY A 4 0.059 -24.996 1.923 1.00 0.00 N ATOM 31 CA GLY A 4 -1.259 -24.417 1.722 1.00 0.00 C ATOM 32 C GLY A 4 -1.154 -22.991 1.177 1.00 0.00 C ATOM 33 O GLY A 4 -0.251 -22.245 1.553 1.00 0.00 O ATOM 0 H GLY A 4 0.665 -24.974 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.829 -25.034 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.805 -24.410 2.665 1.00 0.00 H new ATOM 37 N SER A 5 -2.089 -22.656 0.301 1.00 0.00 N ATOM 38 CA SER A 5 -2.113 -21.333 -0.299 1.00 0.00 C ATOM 39 C SER A 5 -3.159 -20.461 0.398 1.00 0.00 C ATOM 40 O SER A 5 -4.344 -20.531 0.077 1.00 0.00 O ATOM 41 CB SER A 5 -2.403 -21.413 -1.799 1.00 0.00 C ATOM 42 OG SER A 5 -1.350 -22.055 -2.513 1.00 0.00 O ATOM 0 H SER A 5 -2.836 -23.278 -0.008 1.00 0.00 H new ATOM 0 HA SER A 5 -1.129 -20.882 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.334 -21.957 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.549 -20.408 -2.194 1.00 0.00 H new ATOM 0 HG SER A 5 -1.574 -22.088 -3.467 1.00 0.00 H new ATOM 48 N SER A 6 -2.683 -19.659 1.339 1.00 0.00 N ATOM 49 CA SER A 6 -3.562 -18.775 2.085 1.00 0.00 C ATOM 50 C SER A 6 -4.017 -17.617 1.194 1.00 0.00 C ATOM 51 O SER A 6 -3.207 -17.014 0.492 1.00 0.00 O ATOM 52 CB SER A 6 -2.870 -18.239 3.339 1.00 0.00 C ATOM 53 OG SER A 6 -3.386 -18.831 4.528 1.00 0.00 O ATOM 0 H SER A 6 -1.699 -19.603 1.602 1.00 0.00 H new ATOM 0 HA SER A 6 -4.434 -19.347 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.799 -18.432 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.996 -17.157 3.388 1.00 0.00 H new ATOM 0 HG SER A 6 -2.917 -18.464 5.306 1.00 0.00 H new ATOM 59 N GLY A 7 -5.311 -17.341 1.252 1.00 0.00 N ATOM 60 CA GLY A 7 -5.884 -16.266 0.459 1.00 0.00 C ATOM 61 C GLY A 7 -6.337 -15.108 1.351 1.00 0.00 C ATOM 62 O GLY A 7 -7.369 -15.198 2.014 1.00 0.00 O ATOM 0 H GLY A 7 -5.980 -17.843 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.148 -15.909 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.732 -16.643 -0.112 1.00 0.00 H new ATOM 66 N GLU A 8 -5.543 -14.047 1.338 1.00 0.00 N ATOM 67 CA GLU A 8 -5.850 -12.874 2.138 1.00 0.00 C ATOM 68 C GLU A 8 -5.825 -11.616 1.266 1.00 0.00 C ATOM 69 O GLU A 8 -4.757 -11.150 0.874 1.00 0.00 O ATOM 70 CB GLU A 8 -4.882 -12.744 3.315 1.00 0.00 C ATOM 71 CG GLU A 8 -5.522 -13.250 4.610 1.00 0.00 C ATOM 72 CD GLU A 8 -6.439 -12.187 5.219 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.205 -11.583 4.438 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.353 -12.004 6.453 1.00 0.00 O ATOM 0 H GLU A 8 -4.688 -13.976 0.786 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.854 -12.990 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.974 -13.311 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.587 -11.702 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.093 -14.156 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.744 -13.517 5.325 1.00 0.00 H new ATOM 81 N GLN A 9 -7.015 -11.104 0.988 1.00 0.00 N ATOM 82 CA GLN A 9 -7.143 -9.910 0.170 1.00 0.00 C ATOM 83 C GLN A 9 -7.315 -8.675 1.057 1.00 0.00 C ATOM 84 O GLN A 9 -7.835 -8.771 2.167 1.00 0.00 O ATOM 85 CB GLN A 9 -8.306 -10.043 -0.816 1.00 0.00 C ATOM 86 CG GLN A 9 -8.182 -11.327 -1.639 1.00 0.00 C ATOM 87 CD GLN A 9 -9.476 -12.141 -1.582 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.332 -12.057 -2.447 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.571 -12.932 -0.517 1.00 0.00 N ATOM 0 H GLN A 9 -7.899 -11.494 1.315 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.229 -9.792 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.250 -10.045 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.324 -9.180 -1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.950 -11.079 -2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.354 -11.927 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.818 -12.955 0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.397 -13.516 -0.387 1.00 0.00 H new ATOM 98 N MET A 10 -6.868 -7.543 0.533 1.00 0.00 N ATOM 99 CA MET A 10 -6.966 -6.291 1.264 1.00 0.00 C ATOM 100 C MET A 10 -6.995 -5.098 0.305 1.00 0.00 C ATOM 101 O MET A 10 -6.124 -4.966 -0.554 1.00 0.00 O ATOM 102 CB MET A 10 -5.771 -6.157 2.210 1.00 0.00 C ATOM 103 CG MET A 10 -5.733 -4.768 2.852 1.00 0.00 C ATOM 104 SD MET A 10 -5.025 -4.871 4.487 1.00 0.00 S ATOM 105 CE MET A 10 -5.513 -3.282 5.137 1.00 0.00 C ATOM 0 H MET A 10 -6.437 -7.467 -0.388 1.00 0.00 H new ATOM 0 HA MET A 10 -7.894 -6.297 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.830 -6.919 2.987 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.846 -6.333 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.145 -4.089 2.234 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.741 -4.357 2.908 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.673 -2.831 5.665 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.818 -2.631 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.347 -3.412 5.826 1.00 0.00 H new ATOM 115 N GLU A 11 -8.005 -4.260 0.485 1.00 0.00 N ATOM 116 CA GLU A 11 -8.159 -3.083 -0.353 1.00 0.00 C ATOM 117 C GLU A 11 -8.689 -1.909 0.473 1.00 0.00 C ATOM 118 O GLU A 11 -9.729 -2.020 1.120 1.00 0.00 O ATOM 119 CB GLU A 11 -9.074 -3.373 -1.544 1.00 0.00 C ATOM 120 CG GLU A 11 -10.400 -3.980 -1.081 1.00 0.00 C ATOM 121 CD GLU A 11 -11.432 -3.972 -2.211 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.194 -4.697 -3.201 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.434 -3.241 -2.059 1.00 0.00 O ATOM 0 H GLU A 11 -8.725 -4.373 1.199 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.180 -2.812 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.264 -2.451 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.577 -4.058 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.237 -5.002 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.784 -3.418 -0.230 1.00 0.00 H new ATOM 130 N GLY A 12 -7.950 -0.811 0.424 1.00 0.00 N ATOM 131 CA GLY A 12 -8.332 0.383 1.159 1.00 0.00 C ATOM 132 C GLY A 12 -7.482 1.583 0.737 1.00 0.00 C ATOM 133 O GLY A 12 -6.412 1.416 0.155 1.00 0.00 O ATOM 0 H GLY A 12 -7.088 -0.723 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.386 0.600 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.215 0.209 2.229 1.00 0.00 H new ATOM 137 N MET A 13 -7.992 2.766 1.047 1.00 0.00 N ATOM 138 CA MET A 13 -7.293 3.994 0.707 1.00 0.00 C ATOM 139 C MET A 13 -5.911 4.037 1.361 1.00 0.00 C ATOM 140 O MET A 13 -5.790 3.887 2.576 1.00 0.00 O ATOM 141 CB MET A 13 -8.117 5.196 1.174 1.00 0.00 C ATOM 142 CG MET A 13 -8.979 5.745 0.036 1.00 0.00 C ATOM 143 SD MET A 13 -8.069 6.978 -0.880 1.00 0.00 S ATOM 144 CE MET A 13 -7.959 6.167 -2.466 1.00 0.00 C ATOM 0 H MET A 13 -8.880 2.900 1.530 1.00 0.00 H new ATOM 0 HA MET A 13 -7.163 4.029 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.754 4.903 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.451 5.978 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.278 4.934 -0.628 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.893 6.181 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.228 6.871 -3.254 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.939 5.816 -2.625 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.643 5.318 -2.489 1.00 0.00 H new ATOM 154 N LEU A 14 -4.903 4.243 0.526 1.00 0.00 N ATOM 155 CA LEU A 14 -3.533 4.308 1.008 1.00 0.00 C ATOM 156 C LEU A 14 -2.750 5.321 0.171 1.00 0.00 C ATOM 157 O LEU A 14 -3.098 5.582 -0.979 1.00 0.00 O ATOM 158 CB LEU A 14 -2.906 2.912 1.030 1.00 0.00 C ATOM 159 CG LEU A 14 -2.596 2.337 2.413 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.857 2.276 3.277 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.912 0.973 2.299 1.00 0.00 C ATOM 0 H LEU A 14 -5.007 4.367 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.508 4.660 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.578 2.225 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.980 2.942 0.455 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.896 3.007 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.608 1.863 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.263 3.280 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.599 1.641 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.703 0.586 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.568 0.280 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.978 1.079 1.748 1.00 0.00 H new ATOM 173 N CYS A 15 -1.707 5.864 0.781 1.00 0.00 N ATOM 174 CA CYS A 15 -0.872 6.843 0.106 1.00 0.00 C ATOM 175 C CYS A 15 0.342 6.117 -0.479 1.00 0.00 C ATOM 176 O CYS A 15 1.333 5.899 0.215 1.00 0.00 O ATOM 177 CB CYS A 15 -0.459 7.978 1.046 1.00 0.00 C ATOM 178 SG CYS A 15 -0.509 9.576 0.156 1.00 0.00 S ATOM 0 H CYS A 15 -1.421 5.645 1.735 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.437 7.313 -0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.127 8.010 1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.545 7.797 1.429 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.159 10.533 0.963 1.00 0.00 H new ATOM 184 N ARG A 16 0.223 5.764 -1.750 1.00 0.00 N ATOM 185 CA ARG A 16 1.298 5.068 -2.437 1.00 0.00 C ATOM 186 C ARG A 16 2.277 6.073 -3.047 1.00 0.00 C ATOM 187 O ARG A 16 1.893 6.889 -3.883 1.00 0.00 O ATOM 188 CB ARG A 16 0.750 4.164 -3.543 1.00 0.00 C ATOM 189 CG ARG A 16 1.883 3.430 -4.263 1.00 0.00 C ATOM 190 CD ARG A 16 1.667 3.439 -5.778 1.00 0.00 C ATOM 191 NE ARG A 16 1.982 4.778 -6.325 1.00 0.00 N ATOM 192 CZ ARG A 16 2.053 5.056 -7.634 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.832 4.091 -8.537 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.345 6.299 -8.040 1.00 0.00 N ATOM 0 H ARG A 16 -0.601 5.947 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 16 1.816 4.451 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.057 3.440 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.186 4.761 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.836 3.903 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.939 2.402 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.300 2.687 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.634 3.176 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 16 2.156 5.536 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.610 3.145 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.886 4.303 -9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.513 7.034 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.399 6.511 -9.036 1.00 0.00 H new ATOM 208 N LYS A 17 3.522 5.980 -2.605 1.00 0.00 N ATOM 209 CA LYS A 17 4.559 6.871 -3.097 1.00 0.00 C ATOM 210 C LYS A 17 5.711 6.040 -3.666 1.00 0.00 C ATOM 211 O LYS A 17 6.456 5.410 -2.917 1.00 0.00 O ATOM 212 CB LYS A 17 4.989 7.850 -2.002 1.00 0.00 C ATOM 213 CG LYS A 17 6.019 8.849 -2.533 1.00 0.00 C ATOM 214 CD LYS A 17 7.273 8.861 -1.657 1.00 0.00 C ATOM 215 CE LYS A 17 8.352 9.765 -2.257 1.00 0.00 C ATOM 216 NZ LYS A 17 8.823 10.746 -1.254 1.00 0.00 N ATOM 0 H LYS A 17 3.836 5.301 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 17 4.177 7.487 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.118 8.386 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.411 7.299 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.289 8.589 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.582 9.847 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.018 9.208 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.659 7.847 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.190 9.160 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.954 10.288 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.173 11.597 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.036 11.005 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.591 10.327 -0.692 1.00 0.00 H new ATOM 230 N GLN A 18 5.822 6.066 -4.986 1.00 0.00 N ATOM 231 CA GLN A 18 6.871 5.324 -5.664 1.00 0.00 C ATOM 232 C GLN A 18 8.235 5.961 -5.390 1.00 0.00 C ATOM 233 O GLN A 18 8.512 7.066 -5.854 1.00 0.00 O ATOM 234 CB GLN A 18 6.598 5.238 -7.167 1.00 0.00 C ATOM 235 CG GLN A 18 7.544 4.241 -7.840 1.00 0.00 C ATOM 236 CD GLN A 18 7.012 3.819 -9.211 1.00 0.00 C ATOM 237 OE1 GLN A 18 6.109 4.422 -9.767 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.620 2.752 -9.722 1.00 0.00 N ATOM 0 H GLN A 18 5.202 6.590 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 18 6.882 4.307 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.565 4.935 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.720 6.222 -7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.531 4.690 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.663 3.362 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.369 2.295 -9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.337 2.391 -10.633 1.00 0.00 H new ATOM 247 N GLU A 19 9.050 5.237 -4.638 1.00 0.00 N ATOM 248 CA GLU A 19 10.378 5.718 -4.297 1.00 0.00 C ATOM 249 C GLU A 19 11.384 5.310 -5.375 1.00 0.00 C ATOM 250 O GLU A 19 12.191 6.126 -5.817 1.00 0.00 O ATOM 251 CB GLU A 19 10.811 5.205 -2.922 1.00 0.00 C ATOM 252 CG GLU A 19 9.977 5.846 -1.810 1.00 0.00 C ATOM 253 CD GLU A 19 10.853 6.697 -0.889 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.697 6.093 -0.192 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.658 7.931 -0.902 1.00 0.00 O ATOM 0 H GLU A 19 8.817 4.321 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 19 10.347 6.807 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.703 4.121 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.867 5.426 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.195 6.466 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.480 5.069 -1.229 1.00 0.00 H new ATOM 262 N MET A 20 11.302 4.047 -5.768 1.00 0.00 N ATOM 263 CA MET A 20 12.195 3.521 -6.786 1.00 0.00 C ATOM 264 C MET A 20 11.437 2.632 -7.774 1.00 0.00 C ATOM 265 O MET A 20 10.540 1.887 -7.382 1.00 0.00 O ATOM 266 CB MET A 20 13.309 2.710 -6.120 1.00 0.00 C ATOM 267 CG MET A 20 14.174 3.600 -5.224 1.00 0.00 C ATOM 268 SD MET A 20 15.211 4.651 -6.227 1.00 0.00 S ATOM 269 CE MET A 20 16.454 3.472 -6.728 1.00 0.00 C ATOM 0 H MET A 20 10.631 3.373 -5.400 1.00 0.00 H new ATOM 0 HA MET A 20 12.623 4.360 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.874 1.905 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.931 2.243 -6.884 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.539 4.209 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.791 2.983 -4.571 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.293 3.999 -7.182 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.802 2.918 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.027 2.779 -7.452 1.00 0.00 H new ATOM 279 N GLU A 21 11.825 2.740 -9.036 1.00 0.00 N ATOM 280 CA GLU A 21 11.193 1.955 -10.083 1.00 0.00 C ATOM 281 C GLU A 21 12.059 0.743 -10.434 1.00 0.00 C ATOM 282 O GLU A 21 11.618 -0.152 -11.153 1.00 0.00 O ATOM 283 CB GLU A 21 10.920 2.811 -11.321 1.00 0.00 C ATOM 284 CG GLU A 21 10.204 1.999 -12.402 1.00 0.00 C ATOM 285 CD GLU A 21 9.091 2.820 -13.057 1.00 0.00 C ATOM 286 OE1 GLU A 21 8.061 3.023 -12.379 1.00 0.00 O ATOM 287 OE2 GLU A 21 9.296 3.226 -14.222 1.00 0.00 O ATOM 0 H GLU A 21 12.569 3.359 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 21 10.233 1.596 -9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.311 3.672 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.860 3.198 -11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.921 1.683 -13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.783 1.094 -11.964 1.00 0.00 H new ATOM 294 N ALA A 22 13.276 0.754 -9.910 1.00 0.00 N ATOM 295 CA ALA A 22 14.208 -0.333 -10.159 1.00 0.00 C ATOM 296 C ALA A 22 15.522 -0.049 -9.429 1.00 0.00 C ATOM 297 O ALA A 22 15.694 1.020 -8.845 1.00 0.00 O ATOM 298 CB ALA A 22 14.403 -0.503 -11.667 1.00 0.00 C ATOM 0 H ALA A 22 13.638 1.498 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 22 13.813 -1.273 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.102 -1.318 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.445 -0.732 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.801 0.420 -12.089 1.00 0.00 H new ATOM 304 N PHE A 23 16.416 -1.026 -9.485 1.00 0.00 N ATOM 305 CA PHE A 23 17.709 -0.895 -8.836 1.00 0.00 C ATOM 306 C PHE A 23 18.413 0.392 -9.272 1.00 0.00 C ATOM 307 O PHE A 23 18.687 0.584 -10.455 1.00 0.00 O ATOM 308 CB PHE A 23 18.552 -2.095 -9.272 1.00 0.00 C ATOM 309 CG PHE A 23 17.942 -3.450 -8.905 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.875 -3.835 -7.603 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.467 -4.268 -9.882 1.00 0.00 C ATOM 312 CE1 PHE A 23 17.308 -5.092 -7.262 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.901 -5.525 -9.541 1.00 0.00 C ATOM 314 CZ PHE A 23 16.833 -5.910 -8.239 1.00 0.00 C ATOM 0 H PHE A 23 16.270 -1.911 -9.970 1.00 0.00 H new ATOM 0 HA PHE A 23 17.580 -0.859 -7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.695 -2.053 -10.352 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.539 -2.017 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.253 -3.185 -6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.520 -3.962 -10.916 1.00 0.00 H new ATOM 0 HE1 PHE A 23 17.254 -5.398 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.524 -6.175 -10.317 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.402 -6.866 -7.980 1.00 0.00 H new ATOM 324 N GLY A 24 18.685 1.241 -8.291 1.00 0.00 N ATOM 325 CA GLY A 24 19.352 2.504 -8.558 1.00 0.00 C ATOM 326 C GLY A 24 18.533 3.362 -9.524 1.00 0.00 C ATOM 327 O GLY A 24 19.045 4.328 -10.089 1.00 0.00 O ATOM 0 H GLY A 24 18.455 1.079 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.503 3.045 -7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.339 2.316 -8.980 1.00 0.00 H new ATOM 331 N LYS A 25 17.274 2.980 -9.684 1.00 0.00 N ATOM 332 CA LYS A 25 16.380 3.703 -10.572 1.00 0.00 C ATOM 333 C LYS A 25 15.341 4.457 -9.739 1.00 0.00 C ATOM 334 O LYS A 25 14.630 3.856 -8.935 1.00 0.00 O ATOM 335 CB LYS A 25 15.768 2.754 -11.605 1.00 0.00 C ATOM 336 CG LYS A 25 15.839 3.354 -13.011 1.00 0.00 C ATOM 337 CD LYS A 25 14.437 3.593 -13.576 1.00 0.00 C ATOM 338 CE LYS A 25 13.848 4.902 -13.047 1.00 0.00 C ATOM 339 NZ LYS A 25 13.666 5.871 -14.151 1.00 0.00 N ATOM 0 H LYS A 25 16.852 2.179 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 25 16.932 4.448 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.296 1.800 -11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.729 2.549 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.388 4.295 -12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.391 2.683 -13.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.480 3.623 -14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.786 2.762 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.890 4.708 -12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.508 5.325 -12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.265 6.754 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.586 6.069 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.019 5.472 -14.860 1.00 0.00 H new ATOM 353 N LYS A 26 15.287 5.762 -9.961 1.00 0.00 N ATOM 354 CA LYS A 26 14.347 6.605 -9.241 1.00 0.00 C ATOM 355 C LYS A 26 13.011 6.624 -9.987 1.00 0.00 C ATOM 356 O LYS A 26 12.978 6.508 -11.211 1.00 0.00 O ATOM 357 CB LYS A 26 14.943 7.995 -9.010 1.00 0.00 C ATOM 358 CG LYS A 26 14.993 8.794 -10.313 1.00 0.00 C ATOM 359 CD LYS A 26 16.438 9.083 -10.724 1.00 0.00 C ATOM 360 CE LYS A 26 16.551 9.267 -12.239 1.00 0.00 C ATOM 361 NZ LYS A 26 17.692 10.149 -12.570 1.00 0.00 N ATOM 0 H LYS A 26 15.879 6.256 -10.629 1.00 0.00 H new ATOM 0 HA LYS A 26 14.152 6.198 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.347 8.532 -8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.948 7.900 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.490 8.238 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.452 9.732 -10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.791 9.981 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.082 8.263 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.681 8.298 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.628 9.695 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.754 10.263 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.552 11.079 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.573 9.725 -12.215 1.00 0.00 H new ATOM 375 N ALA A 27 11.943 6.772 -9.217 1.00 0.00 N ATOM 376 CA ALA A 27 10.608 6.809 -9.790 1.00 0.00 C ATOM 377 C ALA A 27 10.449 8.082 -10.622 1.00 0.00 C ATOM 378 O ALA A 27 11.109 9.087 -10.359 1.00 0.00 O ATOM 379 CB ALA A 27 9.569 6.711 -8.670 1.00 0.00 C ATOM 0 H ALA A 27 11.975 6.868 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 27 10.453 5.960 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.567 6.739 -9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.706 5.775 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.693 7.549 -7.984 1.00 0.00 H new ATOM 385 N ALA A 28 9.570 8.000 -11.610 1.00 0.00 N ATOM 386 CA ALA A 28 9.316 9.133 -12.483 1.00 0.00 C ATOM 387 C ALA A 28 9.219 10.407 -11.642 1.00 0.00 C ATOM 388 O ALA A 28 10.180 11.169 -11.548 1.00 0.00 O ATOM 389 CB ALA A 28 8.048 8.875 -13.300 1.00 0.00 C ATOM 0 H ALA A 28 9.024 7.166 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 28 10.136 9.265 -13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.858 9.725 -13.955 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.180 7.976 -13.902 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.202 8.740 -12.626 1.00 0.00 H new ATOM 395 N ASN A 29 8.049 10.600 -11.051 1.00 0.00 N ATOM 396 CA ASN A 29 7.813 11.769 -10.221 1.00 0.00 C ATOM 397 C ASN A 29 8.356 11.508 -8.815 1.00 0.00 C ATOM 398 O ASN A 29 9.147 12.293 -8.295 1.00 0.00 O ATOM 399 CB ASN A 29 6.317 12.068 -10.102 1.00 0.00 C ATOM 400 CG ASN A 29 5.524 10.791 -9.816 1.00 0.00 C ATOM 401 OD1 ASN A 29 5.525 9.843 -10.584 1.00 0.00 O ATOM 402 ND2 ASN A 29 4.848 10.820 -8.671 1.00 0.00 N ATOM 0 H ASN A 29 7.254 9.966 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 29 8.314 12.619 -10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.149 12.791 -9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.959 12.524 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.287 10.016 -8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.891 11.646 -8.074 1.00 0.00 H new ATOM 409 N ARG A 30 7.909 10.402 -8.238 1.00 0.00 N ATOM 410 CA ARG A 30 8.340 10.028 -6.902 1.00 0.00 C ATOM 411 C ARG A 30 7.704 10.951 -5.861 1.00 0.00 C ATOM 412 O ARG A 30 8.391 11.463 -4.978 1.00 0.00 O ATOM 413 CB ARG A 30 9.863 10.099 -6.774 1.00 0.00 C ATOM 414 CG ARG A 30 10.394 8.961 -5.900 1.00 0.00 C ATOM 415 CD ARG A 30 11.817 9.257 -5.421 1.00 0.00 C ATOM 416 NE ARG A 30 11.931 8.976 -3.972 1.00 0.00 N ATOM 417 CZ ARG A 30 12.987 9.318 -3.221 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.026 9.954 -3.778 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.004 9.023 -1.914 1.00 0.00 N ATOM 0 H ARG A 30 7.253 9.753 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 30 8.020 9.001 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.317 10.045 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.151 11.058 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.739 8.821 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.383 8.028 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.531 8.647 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.067 10.299 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 30 11.157 8.492 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.013 10.178 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.830 10.215 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.213 8.538 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.808 9.283 -1.343 1.00 0.00 H new ATOM 433 N SER A 31 6.399 11.135 -5.998 1.00 0.00 N ATOM 434 CA SER A 31 5.663 11.987 -5.081 1.00 0.00 C ATOM 435 C SER A 31 4.565 11.181 -4.383 1.00 0.00 C ATOM 436 O SER A 31 4.245 10.070 -4.802 1.00 0.00 O ATOM 437 CB SER A 31 5.056 13.188 -5.810 1.00 0.00 C ATOM 438 OG SER A 31 4.712 12.876 -7.157 1.00 0.00 O ATOM 0 H SER A 31 5.833 10.708 -6.731 1.00 0.00 H new ATOM 0 HA SER A 31 6.360 12.364 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.167 13.524 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.766 14.015 -5.799 1.00 0.00 H new ATOM 0 HG SER A 31 3.756 12.667 -7.210 1.00 0.00 H new ATOM 444 N TRP A 32 4.020 11.772 -3.330 1.00 0.00 N ATOM 445 CA TRP A 32 2.965 11.122 -2.571 1.00 0.00 C ATOM 446 C TRP A 32 1.639 11.373 -3.292 1.00 0.00 C ATOM 447 O TRP A 32 1.306 12.515 -3.606 1.00 0.00 O ATOM 448 CB TRP A 32 2.957 11.606 -1.119 1.00 0.00 C ATOM 449 CG TRP A 32 4.083 11.022 -0.263 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.310 11.522 -0.062 1.00 0.00 C ATOM 451 CD2 TRP A 32 4.035 9.801 0.505 1.00 0.00 C ATOM 452 NE1 TRP A 32 6.053 10.715 0.776 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.253 9.636 1.132 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.996 8.868 0.665 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.547 8.547 1.961 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.306 7.785 1.497 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.527 7.604 2.135 1.00 0.00 C ATOM 0 H TRP A 32 4.289 12.693 -2.985 1.00 0.00 H new ATOM 0 HA TRP A 32 3.134 10.046 -2.519 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.033 12.693 -1.109 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.999 11.349 -0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.672 12.440 -0.500 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.013 10.880 1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.035 8.978 0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.509 8.440 2.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.542 7.038 1.654 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.688 6.740 2.762 1.00 0.00 H new ATOM 468 N GLN A 33 0.918 10.288 -3.533 1.00 0.00 N ATOM 469 CA GLN A 33 -0.363 10.377 -4.211 1.00 0.00 C ATOM 470 C GLN A 33 -1.350 9.369 -3.616 1.00 0.00 C ATOM 471 O GLN A 33 -1.007 8.205 -3.415 1.00 0.00 O ATOM 472 CB GLN A 33 -0.203 10.162 -5.718 1.00 0.00 C ATOM 473 CG GLN A 33 0.571 11.317 -6.356 1.00 0.00 C ATOM 474 CD GLN A 33 1.306 10.855 -7.616 1.00 0.00 C ATOM 475 OE1 GLN A 33 1.828 9.754 -7.693 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.317 11.753 -8.597 1.00 0.00 N ATOM 0 H GLN A 33 1.197 9.343 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.762 11.380 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.320 9.223 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.185 10.076 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.116 12.125 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.287 11.719 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.861 12.656 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.782 11.539 -9.479 1.00 0.00 H new ATOM 485 N ASN A 34 -2.554 9.854 -3.352 1.00 0.00 N ATOM 486 CA ASN A 34 -3.592 9.011 -2.784 1.00 0.00 C ATOM 487 C ASN A 34 -3.996 7.947 -3.807 1.00 0.00 C ATOM 488 O ASN A 34 -4.715 8.241 -4.762 1.00 0.00 O ATOM 489 CB ASN A 34 -4.837 9.829 -2.436 1.00 0.00 C ATOM 490 CG ASN A 34 -5.332 10.617 -3.650 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.727 11.583 -4.084 1.00 0.00 O ATOM 492 ND2 ASN A 34 -6.464 10.153 -4.171 1.00 0.00 N ATOM 0 H ASN A 34 -2.834 10.820 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.196 8.554 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.626 9.165 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.609 10.515 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.877 10.611 -4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.919 9.339 -3.758 1.00 0.00 H new ATOM 499 N VAL A 35 -3.516 6.735 -3.574 1.00 0.00 N ATOM 500 CA VAL A 35 -3.818 5.626 -4.464 1.00 0.00 C ATOM 501 C VAL A 35 -4.411 4.473 -3.651 1.00 0.00 C ATOM 502 O VAL A 35 -3.824 4.042 -2.660 1.00 0.00 O ATOM 503 CB VAL A 35 -2.565 5.225 -5.244 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.887 4.150 -6.284 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.914 6.445 -5.901 1.00 0.00 C ATOM 0 H VAL A 35 -2.920 6.496 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.564 5.921 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.851 4.804 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.979 3.883 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.284 3.267 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.628 4.533 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.025 6.132 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.621 6.908 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.632 7.165 -5.133 1.00 0.00 H new ATOM 515 N TYR A 36 -5.566 4.007 -4.102 1.00 0.00 N ATOM 516 CA TYR A 36 -6.245 2.912 -3.430 1.00 0.00 C ATOM 517 C TYR A 36 -5.551 1.579 -3.716 1.00 0.00 C ATOM 518 O TYR A 36 -5.536 1.114 -4.854 1.00 0.00 O ATOM 519 CB TYR A 36 -7.659 2.872 -4.011 1.00 0.00 C ATOM 520 CG TYR A 36 -8.610 1.928 -3.272 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.140 2.297 -2.053 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.937 0.706 -3.825 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.034 1.409 -1.357 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.831 -0.182 -3.129 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.335 0.213 -1.930 1.00 0.00 C ATOM 526 OH TYR A 36 -11.180 -0.627 -1.273 1.00 0.00 O ATOM 0 H TYR A 36 -6.049 4.368 -4.925 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.241 3.063 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.077 3.879 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.603 2.569 -5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.884 3.253 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.522 0.416 -4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.456 1.686 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.095 -1.141 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.494 -1.322 -1.888 1.00 0.00 H new ATOM 536 N CYS A 37 -4.993 1.001 -2.662 1.00 0.00 N ATOM 537 CA CYS A 37 -4.299 -0.270 -2.785 1.00 0.00 C ATOM 538 C CYS A 37 -5.346 -1.385 -2.847 1.00 0.00 C ATOM 539 O CYS A 37 -6.278 -1.411 -2.045 1.00 0.00 O ATOM 540 CB CYS A 37 -3.304 -0.484 -1.643 1.00 0.00 C ATOM 541 SG CYS A 37 -1.592 -0.439 -2.288 1.00 0.00 S ATOM 0 H CYS A 37 -5.007 1.390 -1.719 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.707 -0.277 -3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.436 0.288 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.494 -1.442 -1.159 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.989 0.624 -1.845 1.00 0.00 H new ATOM 547 N VAL A 38 -5.156 -2.278 -3.807 1.00 0.00 N ATOM 548 CA VAL A 38 -6.072 -3.392 -3.984 1.00 0.00 C ATOM 549 C VAL A 38 -5.271 -4.687 -4.133 1.00 0.00 C ATOM 550 O VAL A 38 -4.670 -4.932 -5.178 1.00 0.00 O ATOM 551 CB VAL A 38 -7.000 -3.123 -5.171 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.930 -4.312 -5.419 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.799 -1.836 -4.961 1.00 0.00 C ATOM 0 H VAL A 38 -4.381 -2.253 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.711 -3.504 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.381 -2.991 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.579 -4.095 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.336 -5.200 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.539 -4.489 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.450 -1.668 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.403 -1.926 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.113 -0.995 -4.856 1.00 0.00 H new ATOM 563 N LEU A 39 -5.287 -5.481 -3.073 1.00 0.00 N ATOM 564 CA LEU A 39 -4.570 -6.745 -3.073 1.00 0.00 C ATOM 565 C LEU A 39 -5.534 -7.874 -3.440 1.00 0.00 C ATOM 566 O LEU A 39 -6.655 -7.927 -2.936 1.00 0.00 O ATOM 567 CB LEU A 39 -3.856 -6.956 -1.736 1.00 0.00 C ATOM 568 CG LEU A 39 -2.924 -8.166 -1.657 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.460 -7.727 -1.593 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.302 -9.074 -0.485 1.00 0.00 C ATOM 0 H LEU A 39 -5.785 -5.274 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.785 -6.737 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.276 -6.061 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.610 -7.052 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.045 -8.751 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.819 -8.606 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.213 -7.153 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.304 -7.108 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.624 -9.927 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.228 -8.514 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.324 -9.429 -0.615 1.00 0.00 H new ATOM 582 N ARG A 40 -5.063 -8.750 -4.316 1.00 0.00 N ATOM 583 CA ARG A 40 -5.870 -9.876 -4.756 1.00 0.00 C ATOM 584 C ARG A 40 -5.011 -10.868 -5.543 1.00 0.00 C ATOM 585 O ARG A 40 -4.167 -10.467 -6.342 1.00 0.00 O ATOM 586 CB ARG A 40 -7.032 -9.409 -5.635 1.00 0.00 C ATOM 587 CG ARG A 40 -8.297 -10.221 -5.347 1.00 0.00 C ATOM 588 CD ARG A 40 -9.381 -9.342 -4.719 1.00 0.00 C ATOM 589 NE ARG A 40 -10.590 -10.150 -4.443 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.784 -9.630 -4.126 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.936 -8.302 -4.044 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.826 -10.440 -3.891 1.00 0.00 N ATOM 0 H ARG A 40 -4.133 -8.703 -4.733 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.273 -10.363 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.226 -8.351 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.762 -9.511 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.670 -10.660 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.059 -11.046 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.011 -8.898 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.628 -8.520 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.510 -11.165 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.143 -7.686 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.845 -7.907 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.710 -11.451 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.735 -10.045 -3.650 1.00 0.00 H new ATOM 606 N ARG A 41 -5.257 -12.145 -5.288 1.00 0.00 N ATOM 607 CA ARG A 41 -4.517 -13.198 -5.962 1.00 0.00 C ATOM 608 C ARG A 41 -3.012 -12.949 -5.844 1.00 0.00 C ATOM 609 O ARG A 41 -2.242 -13.352 -6.714 1.00 0.00 O ATOM 610 CB ARG A 41 -4.898 -13.279 -7.442 1.00 0.00 C ATOM 611 CG ARG A 41 -5.600 -14.602 -7.756 1.00 0.00 C ATOM 612 CD ARG A 41 -6.297 -14.544 -9.117 1.00 0.00 C ATOM 613 NE ARG A 41 -6.570 -15.914 -9.605 1.00 0.00 N ATOM 614 CZ ARG A 41 -7.523 -16.217 -10.497 1.00 0.00 C ATOM 615 NH1 ARG A 41 -8.299 -15.250 -11.003 1.00 0.00 N ATOM 616 NH2 ARG A 41 -7.699 -17.489 -10.882 1.00 0.00 N ATOM 0 H ARG A 41 -5.958 -12.474 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.772 -14.142 -5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.552 -12.446 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.003 -13.183 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.873 -15.414 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.331 -14.823 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.230 -13.986 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.671 -14.012 -9.833 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.997 -16.675 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.165 -14.282 -10.709 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.024 -15.481 -11.682 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.108 -18.225 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.424 -17.721 -11.561 1.00 0.00 H new ATOM 630 N GLY A 42 -2.638 -12.287 -4.759 1.00 0.00 N ATOM 631 CA GLY A 42 -1.239 -11.979 -4.515 1.00 0.00 C ATOM 632 C GLY A 42 -0.735 -10.910 -5.487 1.00 0.00 C ATOM 633 O GLY A 42 0.349 -11.041 -6.052 1.00 0.00 O ATOM 0 H GLY A 42 -3.280 -11.955 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.113 -11.632 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.640 -12.883 -4.621 1.00 0.00 H new ATOM 637 N SER A 43 -1.547 -9.875 -5.650 1.00 0.00 N ATOM 638 CA SER A 43 -1.197 -8.784 -6.544 1.00 0.00 C ATOM 639 C SER A 43 -1.746 -7.464 -5.998 1.00 0.00 C ATOM 640 O SER A 43 -2.948 -7.335 -5.771 1.00 0.00 O ATOM 641 CB SER A 43 -1.728 -9.036 -7.956 1.00 0.00 C ATOM 642 OG SER A 43 -3.152 -9.010 -8.004 1.00 0.00 O ATOM 0 H SER A 43 -2.445 -9.769 -5.178 1.00 0.00 H new ATOM 0 HA SER A 43 -0.110 -8.723 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.329 -8.281 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.371 -10.003 -8.310 1.00 0.00 H new ATOM 0 HG SER A 43 -3.514 -9.306 -7.143 1.00 0.00 H new ATOM 648 N LEU A 44 -0.840 -6.518 -5.804 1.00 0.00 N ATOM 649 CA LEU A 44 -1.219 -5.213 -5.289 1.00 0.00 C ATOM 650 C LEU A 44 -1.559 -4.287 -6.459 1.00 0.00 C ATOM 651 O LEU A 44 -0.679 -3.904 -7.228 1.00 0.00 O ATOM 652 CB LEU A 44 -0.129 -4.664 -4.367 1.00 0.00 C ATOM 653 CG LEU A 44 -0.478 -3.383 -3.604 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.720 -3.584 -2.734 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.719 -2.887 -2.790 1.00 0.00 C ATOM 0 H LEU A 44 0.156 -6.629 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.115 -5.292 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.129 -5.436 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.763 -4.476 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.717 -2.607 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.946 -2.659 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.566 -3.856 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.534 -4.380 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.445 -1.976 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.013 -3.652 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.553 -2.678 -3.460 1.00 0.00 H new ATOM 667 N GLY A 45 -2.838 -3.954 -6.556 1.00 0.00 N ATOM 668 CA GLY A 45 -3.305 -3.080 -7.619 1.00 0.00 C ATOM 669 C GLY A 45 -3.499 -1.651 -7.108 1.00 0.00 C ATOM 670 O GLY A 45 -3.737 -1.440 -5.920 1.00 0.00 O ATOM 0 H GLY A 45 -3.565 -4.274 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.587 -3.083 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.246 -3.458 -8.019 1.00 0.00 H new ATOM 674 N PHE A 46 -3.391 -0.707 -8.031 1.00 0.00 N ATOM 675 CA PHE A 46 -3.552 0.696 -7.690 1.00 0.00 C ATOM 676 C PHE A 46 -4.769 1.296 -8.396 1.00 0.00 C ATOM 677 O PHE A 46 -4.963 1.087 -9.592 1.00 0.00 O ATOM 678 CB PHE A 46 -2.291 1.420 -8.168 1.00 0.00 C ATOM 679 CG PHE A 46 -0.993 0.860 -7.584 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.846 0.746 -6.236 1.00 0.00 C ATOM 681 CD2 PHE A 46 0.016 0.476 -8.412 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.359 0.226 -5.694 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.221 -0.043 -7.870 1.00 0.00 C ATOM 684 CZ PHE A 46 1.367 -0.157 -6.522 1.00 0.00 C ATOM 0 H PHE A 46 -3.194 -0.886 -9.016 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.700 0.803 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.242 1.364 -9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.369 2.475 -7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.646 1.051 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.100 0.566 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.475 0.135 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.022 -0.347 -8.528 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.284 -0.552 -6.110 1.00 0.00 H new ATOM 694 N TYR A 47 -5.557 2.031 -7.625 1.00 0.00 N ATOM 695 CA TYR A 47 -6.751 2.663 -8.162 1.00 0.00 C ATOM 696 C TYR A 47 -6.993 4.023 -7.505 1.00 0.00 C ATOM 697 O TYR A 47 -6.454 4.305 -6.436 1.00 0.00 O ATOM 698 CB TYR A 47 -7.913 1.729 -7.818 1.00 0.00 C ATOM 699 CG TYR A 47 -7.777 0.323 -8.404 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.879 -0.570 -7.854 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.551 -0.053 -9.483 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.751 -1.894 -8.406 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.422 -1.377 -10.035 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.528 -2.232 -9.470 1.00 0.00 C ATOM 705 OH TYR A 47 -7.407 -3.482 -9.991 1.00 0.00 O ATOM 0 H TYR A 47 -5.392 2.203 -6.633 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.650 2.827 -9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.995 1.653 -6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.841 2.173 -8.178 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.273 -0.276 -7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.253 0.645 -9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.054 -2.603 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.022 -1.684 -10.879 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.024 -3.583 -10.746 1.00 0.00 H new ATOM 715 N LYS A 48 -7.805 4.830 -8.172 1.00 0.00 N ATOM 716 CA LYS A 48 -8.126 6.154 -7.667 1.00 0.00 C ATOM 717 C LYS A 48 -8.625 6.038 -6.225 1.00 0.00 C ATOM 718 O LYS A 48 -7.959 6.489 -5.295 1.00 0.00 O ATOM 719 CB LYS A 48 -9.107 6.862 -8.603 1.00 0.00 C ATOM 720 CG LYS A 48 -9.382 8.291 -8.130 1.00 0.00 C ATOM 721 CD LYS A 48 -8.952 9.310 -9.186 1.00 0.00 C ATOM 722 CE LYS A 48 -10.156 10.088 -9.721 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.080 10.213 -11.194 1.00 0.00 N ATOM 0 H LYS A 48 -8.250 4.592 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.234 6.780 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.701 6.882 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.042 6.303 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.444 8.409 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.847 8.479 -7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.230 10.003 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.451 8.798 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.079 9.580 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.187 11.079 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.905 10.744 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.209 10.718 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.073 9.266 -11.623 1.00 0.00 H new ATOM 737 N ASP A 49 -9.795 5.431 -6.085 1.00 0.00 N ATOM 738 CA ASP A 49 -10.391 5.250 -4.773 1.00 0.00 C ATOM 739 C ASP A 49 -11.285 4.008 -4.791 1.00 0.00 C ATOM 740 O ASP A 49 -11.346 3.297 -5.793 1.00 0.00 O ATOM 741 CB ASP A 49 -11.259 6.451 -4.392 1.00 0.00 C ATOM 742 CG ASP A 49 -10.494 7.759 -4.179 1.00 0.00 C ATOM 743 OD1 ASP A 49 -9.974 8.283 -5.187 1.00 0.00 O ATOM 744 OD2 ASP A 49 -10.447 8.205 -3.012 1.00 0.00 O ATOM 0 H ASP A 49 -10.345 5.059 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.584 5.143 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.003 6.606 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.802 6.212 -3.478 1.00 0.00 H new ATOM 749 N ALA A 50 -11.957 3.785 -3.671 1.00 0.00 N ATOM 750 CA ALA A 50 -12.845 2.642 -3.545 1.00 0.00 C ATOM 751 C ALA A 50 -13.973 2.762 -4.572 1.00 0.00 C ATOM 752 O ALA A 50 -14.694 1.798 -4.822 1.00 0.00 O ATOM 753 CB ALA A 50 -13.369 2.557 -2.110 1.00 0.00 C ATOM 0 H ALA A 50 -11.904 4.377 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.309 1.716 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.035 1.699 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.531 2.442 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.915 3.469 -1.867 1.00 0.00 H new ATOM 759 N LYS A 51 -14.090 3.955 -5.138 1.00 0.00 N ATOM 760 CA LYS A 51 -15.118 4.214 -6.131 1.00 0.00 C ATOM 761 C LYS A 51 -14.662 3.666 -7.485 1.00 0.00 C ATOM 762 O LYS A 51 -15.485 3.249 -8.299 1.00 0.00 O ATOM 763 CB LYS A 51 -15.474 5.701 -6.158 1.00 0.00 C ATOM 764 CG LYS A 51 -16.450 6.052 -5.033 1.00 0.00 C ATOM 765 CD LYS A 51 -17.894 5.764 -5.449 1.00 0.00 C ATOM 766 CE LYS A 51 -18.744 7.035 -5.394 1.00 0.00 C ATOM 767 NZ LYS A 51 -19.798 7.000 -6.432 1.00 0.00 N ATOM 0 H LYS A 51 -13.490 4.752 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.040 3.694 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.567 6.297 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.917 5.955 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.203 5.477 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.346 7.105 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.911 5.355 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.322 5.007 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.199 7.132 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.110 7.910 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.365 7.870 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.358 6.929 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.413 6.176 -6.275 1.00 0.00 H new ATOM 781 N ALA A 52 -13.352 3.685 -7.685 1.00 0.00 N ATOM 782 CA ALA A 52 -12.777 3.196 -8.926 1.00 0.00 C ATOM 783 C ALA A 52 -12.596 1.679 -8.836 1.00 0.00 C ATOM 784 O ALA A 52 -13.084 0.940 -9.690 1.00 0.00 O ATOM 785 CB ALA A 52 -11.461 3.925 -9.202 1.00 0.00 C ATOM 0 H ALA A 52 -12.673 4.032 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.444 3.400 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.030 3.558 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.649 4.995 -9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.765 3.742 -8.383 1.00 0.00 H new ATOM 791 N ALA A 53 -11.893 1.260 -7.794 1.00 0.00 N ATOM 792 CA ALA A 53 -11.641 -0.155 -7.582 1.00 0.00 C ATOM 793 C ALA A 53 -12.912 -0.947 -7.896 1.00 0.00 C ATOM 794 O ALA A 53 -12.865 -1.938 -8.624 1.00 0.00 O ATOM 795 CB ALA A 53 -11.155 -0.377 -6.148 1.00 0.00 C ATOM 0 H ALA A 53 -11.490 1.876 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.857 -0.510 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.966 -1.438 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.235 0.184 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.918 -0.035 -5.448 1.00 0.00 H new ATOM 801 N SER A 54 -14.016 -0.481 -7.332 1.00 0.00 N ATOM 802 CA SER A 54 -15.297 -1.134 -7.543 1.00 0.00 C ATOM 803 C SER A 54 -15.669 -1.091 -9.027 1.00 0.00 C ATOM 804 O SER A 54 -16.135 -2.084 -9.583 1.00 0.00 O ATOM 805 CB SER A 54 -16.394 -0.479 -6.702 1.00 0.00 C ATOM 806 OG SER A 54 -17.310 -1.438 -6.179 1.00 0.00 O ATOM 0 H SER A 54 -14.050 0.341 -6.729 1.00 0.00 H new ATOM 0 HA SER A 54 -15.207 -2.174 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.939 0.074 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.935 0.244 -7.312 1.00 0.00 H new ATOM 0 HG SER A 54 -17.994 -0.981 -5.647 1.00 0.00 H new ATOM 812 N ALA A 55 -15.448 0.071 -9.625 1.00 0.00 N ATOM 813 CA ALA A 55 -15.754 0.257 -11.034 1.00 0.00 C ATOM 814 C ALA A 55 -14.669 -0.414 -11.879 1.00 0.00 C ATOM 815 O ALA A 55 -14.740 -0.404 -13.107 1.00 0.00 O ATOM 816 CB ALA A 55 -15.886 1.751 -11.334 1.00 0.00 C ATOM 0 H ALA A 55 -15.061 0.892 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.705 -0.211 -11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.115 1.891 -12.390 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.688 2.174 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.949 2.254 -11.097 1.00 0.00 H new ATOM 822 N GLY A 56 -13.691 -0.981 -11.189 1.00 0.00 N ATOM 823 CA GLY A 56 -12.594 -1.656 -11.861 1.00 0.00 C ATOM 824 C GLY A 56 -11.860 -0.701 -12.805 1.00 0.00 C ATOM 825 O GLY A 56 -11.409 -1.106 -13.876 1.00 0.00 O ATOM 0 H GLY A 56 -13.635 -0.987 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.897 -2.050 -11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.976 -2.508 -12.424 1.00 0.00 H new ATOM 829 N VAL A 57 -11.763 0.548 -12.374 1.00 0.00 N ATOM 830 CA VAL A 57 -11.091 1.563 -13.168 1.00 0.00 C ATOM 831 C VAL A 57 -9.704 1.829 -12.580 1.00 0.00 C ATOM 832 O VAL A 57 -9.580 2.191 -11.411 1.00 0.00 O ATOM 833 CB VAL A 57 -11.957 2.822 -13.248 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.239 3.933 -14.017 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.318 2.512 -13.875 1.00 0.00 C ATOM 0 H VAL A 57 -12.138 0.880 -11.486 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.949 1.216 -14.191 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.129 3.176 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.876 4.816 -14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.306 4.182 -13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.022 3.593 -15.030 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.914 3.424 -13.920 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.174 2.122 -14.883 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.837 1.769 -13.269 1.00 0.00 H new ATOM 845 N PRO A 58 -8.668 1.633 -13.440 1.00 0.00 N ATOM 846 CA PRO A 58 -7.294 1.847 -13.018 1.00 0.00 C ATOM 847 C PRO A 58 -6.977 3.341 -12.921 1.00 0.00 C ATOM 848 O PRO A 58 -7.302 4.108 -13.826 1.00 0.00 O ATOM 849 CB PRO A 58 -6.448 1.126 -14.054 1.00 0.00 C ATOM 850 CG PRO A 58 -7.346 0.931 -15.264 1.00 0.00 C ATOM 851 CD PRO A 58 -8.778 1.204 -14.831 1.00 0.00 C ATOM 0 HA PRO A 58 -7.095 1.458 -12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.565 1.711 -14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.095 0.168 -13.672 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.055 1.607 -16.068 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.251 -0.084 -15.650 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.238 1.975 -15.448 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.397 0.311 -14.923 1.00 0.00 H new ATOM 859 N TYR A 59 -6.347 3.709 -11.815 1.00 0.00 N ATOM 860 CA TYR A 59 -5.982 5.097 -11.589 1.00 0.00 C ATOM 861 C TYR A 59 -5.304 5.694 -12.823 1.00 0.00 C ATOM 862 O TYR A 59 -5.839 6.607 -13.449 1.00 0.00 O ATOM 863 CB TYR A 59 -4.986 5.087 -10.428 1.00 0.00 C ATOM 864 CG TYR A 59 -4.536 6.480 -9.981 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.473 7.468 -9.757 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.194 6.748 -9.804 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.050 8.779 -9.336 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.771 8.058 -9.384 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.720 9.009 -9.171 1.00 0.00 C ATOM 870 OH TYR A 59 -3.320 10.247 -8.774 1.00 0.00 O ATOM 0 H TYR A 59 -6.080 3.070 -11.066 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.867 5.697 -11.375 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.438 4.573 -9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.109 4.510 -10.720 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.523 7.258 -9.897 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.461 5.975 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.773 9.561 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.724 8.281 -9.241 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.343 10.266 -8.696 1.00 0.00 H new ATOM 880 N HIS A 60 -4.135 5.155 -13.135 1.00 0.00 N ATOM 881 CA HIS A 60 -3.377 5.623 -14.283 1.00 0.00 C ATOM 882 C HIS A 60 -3.170 4.469 -15.266 1.00 0.00 C ATOM 883 O HIS A 60 -2.092 4.325 -15.842 1.00 0.00 O ATOM 884 CB HIS A 60 -2.062 6.268 -13.840 1.00 0.00 C ATOM 885 CG HIS A 60 -2.220 7.661 -13.280 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.230 8.221 -12.554 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.266 8.649 -13.449 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -2.909 9.482 -12.292 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -1.692 9.750 -12.846 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.694 4.398 -12.613 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.938 6.400 -14.802 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.595 5.635 -13.086 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.382 6.305 -14.691 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.333 8.541 -13.982 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.513 10.181 -11.732 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.197 10.641 -12.804 1.00 0.00 H new ATOM 897 N GLY A 61 -4.219 3.676 -15.429 1.00 0.00 N ATOM 898 CA GLY A 61 -4.166 2.540 -16.332 1.00 0.00 C ATOM 899 C GLY A 61 -2.992 1.621 -15.988 1.00 0.00 C ATOM 900 O GLY A 61 -2.529 0.857 -16.834 1.00 0.00 O ATOM 0 H GLY A 61 -5.111 3.798 -14.950 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.100 1.981 -16.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.069 2.891 -17.359 1.00 0.00 H new ATOM 904 N GLU A 62 -2.544 1.725 -14.746 1.00 0.00 N ATOM 905 CA GLU A 62 -1.434 0.913 -14.280 1.00 0.00 C ATOM 906 C GLU A 62 -1.942 -0.433 -13.757 1.00 0.00 C ATOM 907 O GLU A 62 -2.939 -0.487 -13.038 1.00 0.00 O ATOM 908 CB GLU A 62 -0.628 1.648 -13.207 1.00 0.00 C ATOM 909 CG GLU A 62 0.432 2.551 -13.840 1.00 0.00 C ATOM 910 CD GLU A 62 1.696 2.600 -12.978 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.538 2.751 -11.748 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.791 2.486 -13.570 1.00 0.00 O ATOM 0 H GLU A 62 -2.930 2.360 -14.048 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.769 0.726 -15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.298 2.246 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.148 0.924 -12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.680 2.184 -14.836 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.032 3.557 -13.962 1.00 0.00 H new ATOM 919 N VAL A 63 -1.235 -1.485 -14.139 1.00 0.00 N ATOM 920 CA VAL A 63 -1.602 -2.827 -13.718 1.00 0.00 C ATOM 921 C VAL A 63 -1.103 -3.064 -12.292 1.00 0.00 C ATOM 922 O VAL A 63 -0.367 -2.244 -11.744 1.00 0.00 O ATOM 923 CB VAL A 63 -1.066 -3.854 -14.718 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.928 -3.242 -16.113 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.266 -4.438 -14.242 1.00 0.00 C ATOM 0 H VAL A 63 -0.409 -1.436 -14.736 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.686 -2.940 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.787 -4.669 -14.780 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.545 -3.993 -16.804 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.903 -2.896 -16.457 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.237 -2.400 -16.074 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.625 -5.165 -14.970 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.998 -3.637 -14.137 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.125 -4.929 -13.279 1.00 0.00 H new ATOM 935 N PRO A 64 -1.534 -4.218 -11.716 1.00 0.00 N ATOM 936 CA PRO A 64 -1.139 -4.573 -10.364 1.00 0.00 C ATOM 937 C PRO A 64 0.312 -5.056 -10.325 1.00 0.00 C ATOM 938 O PRO A 64 0.781 -5.701 -11.262 1.00 0.00 O ATOM 939 CB PRO A 64 -2.131 -5.640 -9.931 1.00 0.00 C ATOM 940 CG PRO A 64 -2.753 -6.174 -11.211 1.00 0.00 C ATOM 941 CD PRO A 64 -2.406 -5.212 -12.335 1.00 0.00 C ATOM 0 HA PRO A 64 -1.165 -3.723 -9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.632 -6.436 -9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.892 -5.222 -9.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.374 -7.172 -11.432 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.834 -6.260 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.902 -5.725 -13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.301 -4.749 -12.751 1.00 0.00 H new ATOM 949 N VAL A 65 0.984 -4.723 -9.233 1.00 0.00 N ATOM 950 CA VAL A 65 2.373 -5.115 -9.060 1.00 0.00 C ATOM 951 C VAL A 65 2.432 -6.475 -8.362 1.00 0.00 C ATOM 952 O VAL A 65 1.837 -6.659 -7.301 1.00 0.00 O ATOM 953 CB VAL A 65 3.134 -4.023 -8.306 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.291 -2.769 -9.168 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.449 -3.694 -6.978 1.00 0.00 C ATOM 0 H VAL A 65 0.593 -4.186 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 65 2.862 -5.225 -10.028 1.00 0.00 H new ATOM 0 HB VAL A 65 4.131 -4.403 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.835 -2.008 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.843 -3.017 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.306 -2.386 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.010 -2.915 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.434 -3.344 -7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.414 -4.588 -6.356 1.00 0.00 H new ATOM 965 N SER A 66 3.154 -7.394 -8.987 1.00 0.00 N ATOM 966 CA SER A 66 3.298 -8.732 -8.439 1.00 0.00 C ATOM 967 C SER A 66 4.156 -8.690 -7.173 1.00 0.00 C ATOM 968 O SER A 66 5.282 -8.195 -7.199 1.00 0.00 O ATOM 969 CB SER A 66 3.913 -9.685 -9.466 1.00 0.00 C ATOM 970 OG SER A 66 2.919 -10.361 -10.231 1.00 0.00 O ATOM 0 H SER A 66 3.645 -7.238 -9.867 1.00 0.00 H new ATOM 0 HA SER A 66 2.306 -9.106 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.566 -9.124 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.536 -10.418 -8.953 1.00 0.00 H new ATOM 0 HG SER A 66 3.353 -10.958 -10.876 1.00 0.00 H new ATOM 976 N LEU A 67 3.592 -9.216 -6.096 1.00 0.00 N ATOM 977 CA LEU A 67 4.292 -9.245 -4.823 1.00 0.00 C ATOM 978 C LEU A 67 5.116 -10.530 -4.728 1.00 0.00 C ATOM 979 O LEU A 67 5.139 -11.182 -3.685 1.00 0.00 O ATOM 980 CB LEU A 67 3.308 -9.058 -3.667 1.00 0.00 C ATOM 981 CG LEU A 67 2.342 -7.878 -3.792 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.047 -8.146 -3.022 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.010 -6.574 -3.354 1.00 0.00 C ATOM 0 H LEU A 67 2.658 -9.626 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 67 4.992 -8.412 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.723 -9.972 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.879 -8.939 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 67 2.074 -7.765 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.378 -7.292 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.564 -9.037 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.276 -8.300 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.302 -5.751 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.326 -6.658 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.879 -6.382 -3.983 1.00 0.00 H new ATOM 995 N ALA A 68 5.773 -10.857 -5.831 1.00 0.00 N ATOM 996 CA ALA A 68 6.597 -12.053 -5.885 1.00 0.00 C ATOM 997 C ALA A 68 8.012 -11.715 -5.411 1.00 0.00 C ATOM 998 O ALA A 68 8.666 -10.839 -5.974 1.00 0.00 O ATOM 999 CB ALA A 68 6.579 -12.622 -7.305 1.00 0.00 C ATOM 0 H ALA A 68 5.752 -10.315 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 68 6.201 -12.821 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.197 -13.519 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.556 -12.874 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.972 -11.879 -8.000 1.00 0.00 H new ATOM 1005 N ARG A 69 8.442 -12.427 -4.379 1.00 0.00 N ATOM 1006 CA ARG A 69 9.767 -12.213 -3.823 1.00 0.00 C ATOM 1007 C ARG A 69 9.913 -10.768 -3.340 1.00 0.00 C ATOM 1008 O ARG A 69 11.027 -10.260 -3.222 1.00 0.00 O ATOM 1009 CB ARG A 69 10.853 -12.510 -4.858 1.00 0.00 C ATOM 1010 CG ARG A 69 10.649 -13.890 -5.487 1.00 0.00 C ATOM 1011 CD ARG A 69 10.127 -13.768 -6.920 1.00 0.00 C ATOM 1012 NE ARG A 69 10.462 -14.989 -7.687 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.694 -15.289 -8.120 1.00 0.00 C ATOM 1014 NH1 ARG A 69 12.715 -14.459 -7.865 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.906 -16.419 -8.808 1.00 0.00 N ATOM 0 H ARG A 69 7.896 -13.152 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 69 9.888 -12.895 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.838 -11.746 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.834 -12.464 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.592 -14.437 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.944 -14.466 -4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.047 -13.619 -6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.565 -12.894 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 69 9.708 -15.643 -7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.554 -13.599 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.653 -14.688 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.129 -17.051 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.844 -16.647 -9.138 1.00 0.00 H new ATOM 1029 N ALA A 70 8.773 -10.149 -3.075 1.00 0.00 N ATOM 1030 CA ALA A 70 8.760 -8.773 -2.607 1.00 0.00 C ATOM 1031 C ALA A 70 8.955 -8.752 -1.090 1.00 0.00 C ATOM 1032 O ALA A 70 8.922 -9.797 -0.442 1.00 0.00 O ATOM 1033 CB ALA A 70 7.454 -8.100 -3.037 1.00 0.00 C ATOM 0 H ALA A 70 7.851 -10.574 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 70 9.580 -8.209 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.444 -7.068 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.378 -8.114 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.609 -8.638 -2.607 1.00 0.00 H new ATOM 1039 N GLN A 71 9.155 -7.551 -0.568 1.00 0.00 N ATOM 1040 CA GLN A 71 9.355 -7.381 0.861 1.00 0.00 C ATOM 1041 C GLN A 71 8.435 -6.284 1.400 1.00 0.00 C ATOM 1042 O GLN A 71 8.249 -5.253 0.755 1.00 0.00 O ATOM 1043 CB GLN A 71 10.820 -7.070 1.176 1.00 0.00 C ATOM 1044 CG GLN A 71 11.170 -5.630 0.795 1.00 0.00 C ATOM 1045 CD GLN A 71 12.628 -5.521 0.346 1.00 0.00 C ATOM 1046 OE1 GLN A 71 13.510 -5.145 1.100 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.831 -5.868 -0.922 1.00 0.00 N ATOM 0 H GLN A 71 9.183 -6.687 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 71 9.101 -8.318 1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.008 -7.225 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.466 -7.760 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.513 -5.292 -0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.998 -4.972 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.047 -6.174 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.770 -5.828 -1.318 1.00 0.00 H new ATOM 1056 N GLY A 72 7.882 -6.543 2.576 1.00 0.00 N ATOM 1057 CA GLY A 72 6.985 -5.591 3.208 1.00 0.00 C ATOM 1058 C GLY A 72 7.309 -5.436 4.695 1.00 0.00 C ATOM 1059 O GLY A 72 7.087 -6.356 5.481 1.00 0.00 O ATOM 0 H GLY A 72 8.038 -7.399 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.067 -4.624 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.954 -5.924 3.090 1.00 0.00 H new ATOM 1063 N SER A 73 7.829 -4.266 5.036 1.00 0.00 N ATOM 1064 CA SER A 73 8.186 -3.979 6.415 1.00 0.00 C ATOM 1065 C SER A 73 7.761 -2.556 6.780 1.00 0.00 C ATOM 1066 O SER A 73 7.526 -1.729 5.900 1.00 0.00 O ATOM 1067 CB SER A 73 9.688 -4.160 6.644 1.00 0.00 C ATOM 1068 OG SER A 73 10.026 -4.123 8.028 1.00 0.00 O ATOM 0 H SER A 73 8.012 -3.506 4.381 1.00 0.00 H new ATOM 0 HA SER A 73 7.660 -4.684 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.007 -5.111 6.218 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.232 -3.376 6.117 1.00 0.00 H new ATOM 0 HG SER A 73 10.993 -4.244 8.132 1.00 0.00 H new ATOM 1074 N VAL A 74 7.675 -2.313 8.080 1.00 0.00 N ATOM 1075 CA VAL A 74 7.282 -1.004 8.572 1.00 0.00 C ATOM 1076 C VAL A 74 8.347 0.023 8.183 1.00 0.00 C ATOM 1077 O VAL A 74 9.532 -0.300 8.117 1.00 0.00 O ATOM 1078 CB VAL A 74 7.034 -1.065 10.081 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.484 0.265 10.600 1.00 0.00 C ATOM 1080 CG2 VAL A 74 6.097 -2.222 10.436 1.00 0.00 C ATOM 0 H VAL A 74 7.871 -3.001 8.807 1.00 0.00 H new ATOM 0 HA VAL A 74 6.344 -0.690 8.114 1.00 0.00 H new ATOM 0 HB VAL A 74 7.991 -1.246 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.317 0.195 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.201 1.060 10.396 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.542 0.489 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.937 -2.243 11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.141 -2.085 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.544 -3.163 10.117 1.00 0.00 H new ATOM 1090 N ALA A 75 7.887 1.241 7.936 1.00 0.00 N ATOM 1091 CA ALA A 75 8.785 2.318 7.555 1.00 0.00 C ATOM 1092 C ALA A 75 9.125 3.153 8.790 1.00 0.00 C ATOM 1093 O ALA A 75 8.965 4.373 8.783 1.00 0.00 O ATOM 1094 CB ALA A 75 8.140 3.152 6.446 1.00 0.00 C ATOM 0 H ALA A 75 6.904 1.506 7.992 1.00 0.00 H new ATOM 0 HA ALA A 75 9.719 1.918 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.813 3.960 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.945 2.518 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.201 3.573 6.806 1.00 0.00 H new ATOM 1100 N PHE A 76 9.589 2.463 9.822 1.00 0.00 N ATOM 1101 CA PHE A 76 9.953 3.127 11.063 1.00 0.00 C ATOM 1102 C PHE A 76 10.794 4.375 10.790 1.00 0.00 C ATOM 1103 O PHE A 76 10.581 5.419 11.405 1.00 0.00 O ATOM 1104 CB PHE A 76 10.786 2.132 11.874 1.00 0.00 C ATOM 1105 CG PHE A 76 9.961 1.032 12.546 1.00 0.00 C ATOM 1106 CD1 PHE A 76 8.788 1.342 13.161 1.00 0.00 C ATOM 1107 CD2 PHE A 76 10.400 -0.255 12.528 1.00 0.00 C ATOM 1108 CE1 PHE A 76 8.023 0.321 13.785 1.00 0.00 C ATOM 1109 CE2 PHE A 76 9.635 -1.275 13.151 1.00 0.00 C ATOM 1110 CZ PHE A 76 8.462 -0.966 13.767 1.00 0.00 C ATOM 0 H PHE A 76 9.721 1.452 9.824 1.00 0.00 H new ATOM 0 HA PHE A 76 9.055 3.437 11.597 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.522 1.670 11.217 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.339 2.676 12.640 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.439 2.364 13.175 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.331 -0.501 12.039 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.092 0.567 14.274 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.984 -2.297 13.136 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.880 -1.742 14.241 1.00 0.00 H new ATOM 1120 N ASP A 77 11.734 4.227 9.868 1.00 0.00 N ATOM 1121 CA ASP A 77 12.608 5.329 9.506 1.00 0.00 C ATOM 1122 C ASP A 77 11.773 6.597 9.320 1.00 0.00 C ATOM 1123 O ASP A 77 12.052 7.625 9.934 1.00 0.00 O ATOM 1124 CB ASP A 77 13.337 5.046 8.191 1.00 0.00 C ATOM 1125 CG ASP A 77 14.473 6.016 7.859 1.00 0.00 C ATOM 1126 OD1 ASP A 77 14.747 6.884 8.716 1.00 0.00 O ATOM 1127 OD2 ASP A 77 15.041 5.868 6.756 1.00 0.00 O ATOM 0 H ASP A 77 11.909 3.360 9.361 1.00 0.00 H new ATOM 0 HA ASP A 77 13.340 5.454 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.742 4.035 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.611 5.069 7.378 1.00 0.00 H new ATOM 1132 N TYR A 78 10.764 6.483 8.468 1.00 0.00 N ATOM 1133 CA TYR A 78 9.886 7.608 8.193 1.00 0.00 C ATOM 1134 C TYR A 78 9.508 8.337 9.484 1.00 0.00 C ATOM 1135 O TYR A 78 9.051 7.715 10.442 1.00 0.00 O ATOM 1136 CB TYR A 78 8.622 7.013 7.569 1.00 0.00 C ATOM 1137 CG TYR A 78 7.941 7.929 6.550 1.00 0.00 C ATOM 1138 CD1 TYR A 78 8.471 8.067 5.284 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.796 8.616 6.898 1.00 0.00 C ATOM 1140 CE1 TYR A 78 7.830 8.930 4.325 1.00 0.00 C ATOM 1141 CE2 TYR A 78 6.155 9.479 5.939 1.00 0.00 C ATOM 1142 CZ TYR A 78 6.703 9.593 4.700 1.00 0.00 C ATOM 1143 OH TYR A 78 6.098 10.407 3.795 1.00 0.00 O ATOM 0 H TYR A 78 10.535 5.629 7.959 1.00 0.00 H new ATOM 0 HA TYR A 78 10.377 8.327 7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.878 6.072 7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.913 6.779 8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.366 7.528 5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.381 8.507 7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.235 9.048 3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.259 10.023 6.199 1.00 0.00 H new ATOM 0 HH TYR A 78 5.426 9.898 3.295 1.00 0.00 H new ATOM 1153 N ARG A 79 9.714 9.646 9.468 1.00 0.00 N ATOM 1154 CA ARG A 79 9.400 10.466 10.626 1.00 0.00 C ATOM 1155 C ARG A 79 8.570 11.681 10.206 1.00 0.00 C ATOM 1156 O ARG A 79 8.964 12.821 10.449 1.00 0.00 O ATOM 1157 CB ARG A 79 10.675 10.945 11.323 1.00 0.00 C ATOM 1158 CG ARG A 79 10.522 10.890 12.844 1.00 0.00 C ATOM 1159 CD ARG A 79 10.637 12.286 13.458 1.00 0.00 C ATOM 1160 NE ARG A 79 9.316 12.954 13.446 1.00 0.00 N ATOM 1161 CZ ARG A 79 9.136 14.265 13.657 1.00 0.00 C ATOM 1162 NH1 ARG A 79 10.190 15.057 13.896 1.00 0.00 N ATOM 1163 NH2 ARG A 79 7.901 14.785 13.627 1.00 0.00 N ATOM 0 H ARG A 79 10.094 10.159 8.672 1.00 0.00 H new ATOM 0 HA ARG A 79 8.827 9.853 11.322 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.517 10.324 11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.902 11.965 11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.556 10.455 13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.287 10.239 13.267 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.008 12.213 14.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.359 12.880 12.898 1.00 0.00 H new ATOM 0 HE ARG A 79 8.492 12.381 13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.130 14.662 13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.052 16.055 14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.098 14.183 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.764 15.783 13.788 1.00 0.00 H new ATOM 1177 N LYS A 80 7.436 11.396 9.583 1.00 0.00 N ATOM 1178 CA LYS A 80 6.546 12.451 9.128 1.00 0.00 C ATOM 1179 C LYS A 80 5.098 12.049 9.411 1.00 0.00 C ATOM 1180 O LYS A 80 4.365 12.781 10.075 1.00 0.00 O ATOM 1181 CB LYS A 80 6.816 12.782 7.658 1.00 0.00 C ATOM 1182 CG LYS A 80 7.279 14.231 7.499 1.00 0.00 C ATOM 1183 CD LYS A 80 6.091 15.195 7.550 1.00 0.00 C ATOM 1184 CE LYS A 80 6.566 16.644 7.667 1.00 0.00 C ATOM 1185 NZ LYS A 80 6.889 16.972 9.073 1.00 0.00 N ATOM 0 H LYS A 80 7.113 10.450 9.383 1.00 0.00 H new ATOM 0 HA LYS A 80 6.735 13.372 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.576 12.108 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.911 12.619 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.987 14.479 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.805 14.347 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.485 15.079 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.454 14.948 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.445 16.796 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.792 17.317 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.210 17.959 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.041 16.846 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.643 16.341 9.412 1.00 0.00 H new ATOM 1199 N ARG A 81 4.728 10.886 8.895 1.00 0.00 N ATOM 1200 CA ARG A 81 3.380 10.378 9.084 1.00 0.00 C ATOM 1201 C ARG A 81 3.390 9.195 10.054 1.00 0.00 C ATOM 1202 O ARG A 81 4.421 8.884 10.649 1.00 0.00 O ATOM 1203 CB ARG A 81 2.767 9.933 7.754 1.00 0.00 C ATOM 1204 CG ARG A 81 2.955 11.005 6.679 1.00 0.00 C ATOM 1205 CD ARG A 81 1.755 11.953 6.634 1.00 0.00 C ATOM 1206 NE ARG A 81 2.221 13.356 6.571 1.00 0.00 N ATOM 1207 CZ ARG A 81 1.411 14.410 6.403 1.00 0.00 C ATOM 1208 NH1 ARG A 81 0.089 14.226 6.282 1.00 0.00 N ATOM 1209 NH2 ARG A 81 1.922 15.648 6.357 1.00 0.00 N ATOM 0 H ARG A 81 5.339 10.281 8.346 1.00 0.00 H new ATOM 0 HA ARG A 81 2.776 11.186 9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.231 9.002 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.705 9.730 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.864 11.572 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.085 10.531 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.135 11.728 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.132 11.807 7.517 1.00 0.00 H new ATOM 0 HE ARG A 81 3.222 13.532 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.300 13.284 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.528 15.028 6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.928 15.788 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.305 16.450 6.229 1.00 0.00 H new ATOM 1223 N LYS A 82 2.231 8.566 10.183 1.00 0.00 N ATOM 1224 CA LYS A 82 2.094 7.424 11.071 1.00 0.00 C ATOM 1225 C LYS A 82 1.555 6.231 10.280 1.00 0.00 C ATOM 1226 O LYS A 82 0.960 6.403 9.217 1.00 0.00 O ATOM 1227 CB LYS A 82 1.241 7.791 12.288 1.00 0.00 C ATOM 1228 CG LYS A 82 2.066 8.558 13.323 1.00 0.00 C ATOM 1229 CD LYS A 82 1.158 9.323 14.289 1.00 0.00 C ATOM 1230 CE LYS A 82 1.965 9.917 15.445 1.00 0.00 C ATOM 1231 NZ LYS A 82 1.174 9.890 16.696 1.00 0.00 N ATOM 0 H LYS A 82 1.378 8.826 9.687 1.00 0.00 H new ATOM 0 HA LYS A 82 3.066 7.131 11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.392 8.397 11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.836 6.885 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.693 7.863 13.881 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.734 9.255 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.641 10.120 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.392 8.654 14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.888 9.354 15.579 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.249 10.943 15.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.736 10.297 17.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.305 10.447 16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.925 8.907 16.928 1.00 0.00 H new ATOM 1245 N HIS A 83 1.782 5.046 10.828 1.00 0.00 N ATOM 1246 CA HIS A 83 1.327 3.825 10.187 1.00 0.00 C ATOM 1247 C HIS A 83 1.762 3.822 8.720 1.00 0.00 C ATOM 1248 O HIS A 83 0.926 3.898 7.821 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.184 3.652 10.358 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.853 4.788 11.093 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.456 5.919 10.626 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.950 4.835 12.473 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.898 6.618 11.665 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -1.585 5.948 12.810 1.00 0.00 N flip ATOM 0 H HIS A 83 2.276 4.906 11.710 1.00 0.00 H new ATOM 0 HA HIS A 83 1.790 2.963 10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.641 3.550 9.374 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.374 2.723 10.895 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.572 4.091 13.159 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.420 7.562 11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.802 6.250 13.760 1.00 0.00 H new ATOM 1262 N VAL A 84 3.069 3.734 8.524 1.00 0.00 N ATOM 1263 CA VAL A 84 3.625 3.721 7.182 1.00 0.00 C ATOM 1264 C VAL A 84 4.602 2.551 7.051 1.00 0.00 C ATOM 1265 O VAL A 84 5.504 2.396 7.873 1.00 0.00 O ATOM 1266 CB VAL A 84 4.266 5.074 6.867 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.964 5.047 5.506 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.232 6.199 6.932 1.00 0.00 C ATOM 0 H VAL A 84 3.759 3.671 9.272 1.00 0.00 H new ATOM 0 HA VAL A 84 2.837 3.571 6.444 1.00 0.00 H new ATOM 0 HB VAL A 84 5.023 5.271 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.411 6.021 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.743 4.285 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.236 4.816 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.714 7.150 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.442 6.009 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.802 6.241 7.933 1.00 0.00 H new ATOM 1278 N PHE A 85 4.390 1.758 6.011 1.00 0.00 N ATOM 1279 CA PHE A 85 5.242 0.607 5.762 1.00 0.00 C ATOM 1280 C PHE A 85 5.796 0.633 4.336 1.00 0.00 C ATOM 1281 O PHE A 85 5.106 1.046 3.405 1.00 0.00 O ATOM 1282 CB PHE A 85 4.371 -0.639 5.934 1.00 0.00 C ATOM 1283 CG PHE A 85 3.131 -0.661 5.038 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.072 0.143 5.322 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.088 -1.484 3.956 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.921 0.123 4.490 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.938 -1.504 3.124 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.879 -0.700 3.408 1.00 0.00 C ATOM 0 H PHE A 85 3.641 1.890 5.331 1.00 0.00 H new ATOM 0 HA PHE A 85 6.086 0.613 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.974 -1.523 5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.055 -0.708 6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.106 0.797 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.929 -2.123 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.080 0.761 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.904 -2.158 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.004 -0.715 2.774 1.00 0.00 H new ATOM 1298 N LYS A 86 7.038 0.188 4.210 1.00 0.00 N ATOM 1299 CA LYS A 86 7.693 0.156 2.914 1.00 0.00 C ATOM 1300 C LYS A 86 7.415 -1.190 2.240 1.00 0.00 C ATOM 1301 O LYS A 86 7.242 -2.202 2.916 1.00 0.00 O ATOM 1302 CB LYS A 86 9.183 0.475 3.058 1.00 0.00 C ATOM 1303 CG LYS A 86 9.877 0.482 1.695 1.00 0.00 C ATOM 1304 CD LYS A 86 11.377 0.743 1.845 1.00 0.00 C ATOM 1305 CE LYS A 86 11.744 2.139 1.337 1.00 0.00 C ATOM 1306 NZ LYS A 86 13.207 2.349 1.410 1.00 0.00 N ATOM 0 H LYS A 86 7.607 -0.153 4.984 1.00 0.00 H new ATOM 0 HA LYS A 86 7.286 0.930 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.306 1.446 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.655 -0.263 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.719 -0.475 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.432 1.249 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.664 0.646 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.938 -0.009 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.404 2.259 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.232 2.895 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.404 3.349 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.606 1.755 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.641 2.090 0.501 1.00 0.00 H new ATOM 1320 N LEU A 87 7.381 -1.156 0.916 1.00 0.00 N ATOM 1321 CA LEU A 87 7.127 -2.360 0.143 1.00 0.00 C ATOM 1322 C LEU A 87 8.133 -2.445 -1.007 1.00 0.00 C ATOM 1323 O LEU A 87 7.953 -1.805 -2.042 1.00 0.00 O ATOM 1324 CB LEU A 87 5.667 -2.407 -0.312 1.00 0.00 C ATOM 1325 CG LEU A 87 5.298 -3.544 -1.267 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.373 -4.899 -0.560 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.927 -3.303 -1.902 1.00 0.00 C ATOM 0 H LEU A 87 7.525 -0.314 0.359 1.00 0.00 H new ATOM 0 HA LEU A 87 7.273 -3.246 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.034 -2.482 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.427 -1.460 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 87 6.028 -3.562 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.106 -5.690 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.387 -5.064 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.679 -4.910 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.689 -4.126 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.169 -3.243 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.945 -2.368 -2.462 1.00 0.00 H new ATOM 1339 N GLY A 88 9.170 -3.239 -0.787 1.00 0.00 N ATOM 1340 CA GLY A 88 10.204 -3.415 -1.792 1.00 0.00 C ATOM 1341 C GLY A 88 9.939 -4.661 -2.639 1.00 0.00 C ATOM 1342 O GLY A 88 9.981 -5.782 -2.132 1.00 0.00 O ATOM 0 H GLY A 88 9.316 -3.768 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.245 -2.536 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.177 -3.501 -1.307 1.00 0.00 H new ATOM 1346 N LEU A 89 9.671 -4.424 -3.915 1.00 0.00 N ATOM 1347 CA LEU A 89 9.399 -5.514 -4.837 1.00 0.00 C ATOM 1348 C LEU A 89 10.701 -6.259 -5.138 1.00 0.00 C ATOM 1349 O LEU A 89 11.710 -6.048 -4.468 1.00 0.00 O ATOM 1350 CB LEU A 89 8.686 -4.992 -6.087 1.00 0.00 C ATOM 1351 CG LEU A 89 7.358 -4.270 -5.849 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.412 -4.458 -7.036 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.720 -4.714 -4.531 1.00 0.00 C ATOM 0 H LEU A 89 9.636 -3.494 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 89 8.717 -6.234 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.359 -4.311 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.505 -5.833 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 89 7.560 -3.202 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.476 -3.935 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.873 -4.053 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.212 -5.520 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.778 -4.185 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.533 -5.787 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.394 -4.486 -3.705 1.00 0.00 H new ATOM 1365 N GLN A 90 10.635 -7.116 -6.147 1.00 0.00 N ATOM 1366 CA GLN A 90 11.796 -7.894 -6.544 1.00 0.00 C ATOM 1367 C GLN A 90 12.489 -7.239 -7.741 1.00 0.00 C ATOM 1368 O GLN A 90 13.616 -7.595 -8.081 1.00 0.00 O ATOM 1369 CB GLN A 90 11.406 -9.339 -6.860 1.00 0.00 C ATOM 1370 CG GLN A 90 10.422 -9.398 -8.031 1.00 0.00 C ATOM 1371 CD GLN A 90 10.483 -10.758 -8.730 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.539 -11.336 -8.929 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.295 -11.234 -9.090 1.00 0.00 N ATOM 0 H GLN A 90 9.796 -7.288 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 90 12.497 -7.916 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.299 -9.916 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.957 -9.799 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.410 -9.216 -7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.653 -8.607 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.450 -10.698 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.229 -12.135 -9.563 1.00 0.00 H new ATOM 1382 N ASP A 91 11.786 -6.293 -8.347 1.00 0.00 N ATOM 1383 CA ASP A 91 12.320 -5.586 -9.498 1.00 0.00 C ATOM 1384 C ASP A 91 12.875 -4.233 -9.048 1.00 0.00 C ATOM 1385 O ASP A 91 12.885 -3.274 -9.818 1.00 0.00 O ATOM 1386 CB ASP A 91 11.229 -5.326 -10.539 1.00 0.00 C ATOM 1387 CG ASP A 91 11.707 -5.332 -11.992 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.838 -5.815 -12.215 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.931 -4.854 -12.847 1.00 0.00 O ATOM 0 H ASP A 91 10.851 -6.000 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 91 13.102 -6.204 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.452 -6.082 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.769 -4.361 -10.328 1.00 0.00 H new ATOM 1394 N GLY A 92 13.325 -4.199 -7.802 1.00 0.00 N ATOM 1395 CA GLY A 92 13.881 -2.980 -7.240 1.00 0.00 C ATOM 1396 C GLY A 92 12.832 -1.866 -7.201 1.00 0.00 C ATOM 1397 O GLY A 92 13.162 -0.692 -7.359 1.00 0.00 O ATOM 0 H GLY A 92 13.316 -4.996 -7.166 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.248 -3.174 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.736 -2.658 -7.834 1.00 0.00 H new ATOM 1401 N LYS A 93 11.589 -2.275 -6.989 1.00 0.00 N ATOM 1402 CA LYS A 93 10.490 -1.326 -6.928 1.00 0.00 C ATOM 1403 C LYS A 93 10.065 -1.138 -5.470 1.00 0.00 C ATOM 1404 O LYS A 93 9.463 -2.031 -4.875 1.00 0.00 O ATOM 1405 CB LYS A 93 9.351 -1.766 -7.849 1.00 0.00 C ATOM 1406 CG LYS A 93 9.099 -0.727 -8.944 1.00 0.00 C ATOM 1407 CD LYS A 93 7.829 -1.058 -9.731 1.00 0.00 C ATOM 1408 CE LYS A 93 8.168 -1.756 -11.049 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.676 -0.963 -12.198 1.00 0.00 N ATOM 0 H LYS A 93 11.319 -3.250 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 93 10.808 -0.350 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.596 -2.726 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.442 -1.912 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.007 0.263 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.952 -0.693 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.182 -1.699 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.273 -0.143 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.247 -1.891 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.720 -2.749 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.149 -1.282 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.649 -1.093 -12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.884 0.044 -12.040 1.00 0.00 H new ATOM 1423 N GLU A 94 10.396 0.028 -4.936 1.00 0.00 N ATOM 1424 CA GLU A 94 10.056 0.344 -3.559 1.00 0.00 C ATOM 1425 C GLU A 94 8.878 1.319 -3.514 1.00 0.00 C ATOM 1426 O GLU A 94 8.848 2.297 -4.259 1.00 0.00 O ATOM 1427 CB GLU A 94 11.265 0.911 -2.812 1.00 0.00 C ATOM 1428 CG GLU A 94 11.452 0.213 -1.463 1.00 0.00 C ATOM 1429 CD GLU A 94 12.903 0.317 -0.989 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.475 1.417 -1.147 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.408 -0.706 -0.478 1.00 0.00 O ATOM 0 H GLU A 94 10.896 0.766 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 94 9.760 -0.577 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.163 0.786 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.132 1.982 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.790 0.662 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.168 -0.836 -1.550 1.00 0.00 H new ATOM 1438 N TYR A 95 7.936 1.018 -2.632 1.00 0.00 N ATOM 1439 CA TYR A 95 6.758 1.856 -2.479 1.00 0.00 C ATOM 1440 C TYR A 95 6.483 2.151 -1.003 1.00 0.00 C ATOM 1441 O TYR A 95 6.898 1.394 -0.127 1.00 0.00 O ATOM 1442 CB TYR A 95 5.591 1.050 -3.052 1.00 0.00 C ATOM 1443 CG TYR A 95 5.597 0.945 -4.579 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.170 2.011 -5.345 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.029 -0.214 -5.189 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.176 1.913 -6.782 1.00 0.00 C ATOM 1447 CE2 TYR A 95 6.035 -0.313 -6.626 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.608 0.755 -7.351 1.00 0.00 C ATOM 1449 OH TYR A 95 5.613 0.663 -8.708 1.00 0.00 O ATOM 0 H TYR A 95 7.964 0.206 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 95 6.897 2.810 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.614 0.046 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.655 1.509 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.831 2.918 -4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.363 -1.048 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.845 2.739 -7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.371 -1.215 -7.116 1.00 0.00 H new ATOM 0 HH TYR A 95 5.281 1.501 -9.094 1.00 0.00 H new ATOM 1459 N LEU A 96 5.784 3.253 -0.774 1.00 0.00 N ATOM 1460 CA LEU A 96 5.448 3.658 0.581 1.00 0.00 C ATOM 1461 C LEU A 96 3.937 3.874 0.684 1.00 0.00 C ATOM 1462 O LEU A 96 3.375 4.705 -0.028 1.00 0.00 O ATOM 1463 CB LEU A 96 6.274 4.877 0.996 1.00 0.00 C ATOM 1464 CG LEU A 96 7.740 4.609 1.341 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.529 5.916 1.439 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.858 3.772 2.617 1.00 0.00 C ATOM 0 H LEU A 96 5.441 3.878 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 96 5.707 2.871 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.240 5.607 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.796 5.337 1.861 1.00 0.00 H new ATOM 0 HG LEU A 96 8.180 4.027 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.568 5.696 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.485 6.440 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.097 6.544 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.910 3.595 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.396 4.307 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.352 2.817 2.474 1.00 0.00 H new ATOM 1478 N PHE A 97 3.322 3.111 1.576 1.00 0.00 N ATOM 1479 CA PHE A 97 1.887 3.209 1.781 1.00 0.00 C ATOM 1480 C PHE A 97 1.566 3.617 3.220 1.00 0.00 C ATOM 1481 O PHE A 97 1.946 2.927 4.165 1.00 0.00 O ATOM 1482 CB PHE A 97 1.302 1.821 1.515 1.00 0.00 C ATOM 1483 CG PHE A 97 1.530 1.312 0.090 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.660 1.647 -0.900 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.604 0.524 -0.187 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.872 1.175 -2.222 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.816 0.052 -1.509 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.945 0.387 -2.499 1.00 0.00 C ATOM 0 H PHE A 97 3.791 2.423 2.165 1.00 0.00 H new ATOM 0 HA PHE A 97 1.466 3.963 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.741 1.112 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.231 1.845 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.193 2.272 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.295 0.258 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.181 1.442 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.669 -0.573 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.106 0.027 -3.505 1.00 0.00 H new ATOM 1498 N GLN A 98 0.869 4.738 3.342 1.00 0.00 N ATOM 1499 CA GLN A 98 0.492 5.246 4.650 1.00 0.00 C ATOM 1500 C GLN A 98 -0.927 4.797 5.006 1.00 0.00 C ATOM 1501 O GLN A 98 -1.901 5.342 4.490 1.00 0.00 O ATOM 1502 CB GLN A 98 0.614 6.770 4.702 1.00 0.00 C ATOM 1503 CG GLN A 98 0.222 7.305 6.080 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.207 8.772 5.998 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.233 9.379 4.940 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.540 9.305 7.170 1.00 0.00 N ATOM 0 H GLN A 98 0.556 5.308 2.556 1.00 0.00 H new ATOM 0 HA GLN A 98 1.178 4.834 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.638 7.064 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.025 7.216 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.593 6.707 6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.064 7.207 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.496 8.740 8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.840 10.279 7.221 1.00 0.00 H new ATOM 1515 N ALA A 99 -0.997 3.808 5.885 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.280 3.280 6.315 1.00 0.00 C ATOM 1517 C ALA A 99 -3.044 4.365 7.077 1.00 0.00 C ATOM 1518 O ALA A 99 -2.545 5.476 7.248 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.058 2.023 7.158 1.00 0.00 C ATOM 0 H ALA A 99 -0.186 3.359 6.311 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.885 2.993 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.021 1.627 7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.538 1.273 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.457 2.273 8.032 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.242 4.005 7.514 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.079 4.934 8.254 1.00 0.00 C ATOM 1527 C LYS A 100 -4.714 4.872 9.738 1.00 0.00 C ATOM 1528 O LYS A 100 -4.769 5.883 10.437 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.558 4.662 7.973 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.175 3.795 9.072 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.511 3.202 8.619 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.821 1.909 9.375 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.281 1.665 9.407 1.00 0.00 N ATOM 0 H LYS A 100 -4.653 3.083 7.370 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.898 5.957 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.098 5.606 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.663 4.163 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.487 2.991 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.325 4.393 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.309 3.925 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.480 3.003 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.317 1.070 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.435 1.974 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.474 0.783 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.755 2.458 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.641 1.582 8.435 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.349 3.676 10.176 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.974 3.470 11.565 1.00 0.00 C ATOM 1549 C ASP A 101 -3.048 2.256 11.663 1.00 0.00 C ATOM 1550 O ASP A 101 -2.778 1.593 10.663 1.00 0.00 O ATOM 1551 CB ASP A 101 -5.205 3.197 12.432 1.00 0.00 C ATOM 1552 CG ASP A 101 -6.217 4.342 12.496 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.770 5.482 12.746 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -7.416 4.052 12.293 1.00 0.00 O ATOM 0 H ASP A 101 -4.305 2.840 9.594 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.477 4.373 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.708 2.308 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.874 2.968 13.445 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.586 2.001 12.879 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.696 0.879 13.122 1.00 0.00 C ATOM 1561 C GLU A 102 -2.316 -0.415 12.590 1.00 0.00 C ATOM 1562 O GLU A 102 -1.666 -1.167 11.864 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.362 0.756 14.609 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.200 1.676 14.988 1.00 0.00 C ATOM 1565 CD GLU A 102 1.143 0.966 14.810 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.545 0.264 15.763 1.00 0.00 O ATOM 1567 OE2 GLU A 102 1.738 1.141 13.725 1.00 0.00 O ATOM 0 H GLU A 102 -2.812 2.553 13.707 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.763 1.058 12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.239 1.008 15.204 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.104 -0.277 14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.226 2.573 14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.310 1.999 16.023 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.566 -0.635 12.972 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.281 -1.825 12.543 1.00 0.00 C ATOM 1576 C ALA A 103 -4.197 -1.944 11.019 1.00 0.00 C ATOM 1577 O ALA A 103 -3.557 -2.855 10.498 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.725 -1.762 13.044 1.00 0.00 C ATOM 0 H ALA A 103 -4.102 -0.009 13.574 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.827 -2.720 12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.261 -2.655 12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.730 -1.708 14.133 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.214 -0.878 12.635 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.853 -1.009 10.348 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.861 -0.997 8.895 1.00 0.00 C ATOM 1586 C GLU A 104 -3.497 -1.430 8.354 1.00 0.00 C ATOM 1587 O GLU A 104 -3.415 -2.323 7.511 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.250 0.383 8.360 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.255 0.396 6.830 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.576 0.949 6.291 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.598 0.251 6.469 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -6.534 2.057 5.714 1.00 0.00 O ATOM 0 H GLU A 104 -5.383 -0.254 10.784 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.611 -1.709 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.237 0.657 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.550 1.132 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.427 1.003 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.099 -0.615 6.454 1.00 0.00 H new ATOM 1599 N MET A 105 -2.461 -0.778 8.859 1.00 0.00 N ATOM 1600 CA MET A 105 -1.105 -1.085 8.437 1.00 0.00 C ATOM 1601 C MET A 105 -0.769 -2.555 8.695 1.00 0.00 C ATOM 1602 O MET A 105 -0.669 -3.346 7.759 1.00 0.00 O ATOM 1603 CB MET A 105 -0.119 -0.194 9.197 1.00 0.00 C ATOM 1604 CG MET A 105 1.308 -0.393 8.682 1.00 0.00 C ATOM 1605 SD MET A 105 1.961 -1.944 9.277 1.00 0.00 S ATOM 1606 CE MET A 105 3.111 -1.345 10.504 1.00 0.00 C ATOM 0 H MET A 105 -2.533 -0.038 9.557 1.00 0.00 H new ATOM 0 HA MET A 105 -1.027 -0.897 7.366 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.407 0.851 9.086 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.161 -0.424 10.262 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.315 -0.380 7.592 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.941 0.429 9.015 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.585 -2.191 11.002 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.874 -0.735 10.020 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.577 -0.743 11.239 1.00 0.00 H new ATOM 1616 N SER A 106 -0.605 -2.876 9.970 1.00 0.00 N ATOM 1617 CA SER A 106 -0.283 -4.237 10.364 1.00 0.00 C ATOM 1618 C SER A 106 -0.989 -5.230 9.439 1.00 0.00 C ATOM 1619 O SER A 106 -0.364 -6.156 8.923 1.00 0.00 O ATOM 1620 CB SER A 106 -0.675 -4.497 11.820 1.00 0.00 C ATOM 1621 OG SER A 106 0.444 -4.410 12.698 1.00 0.00 O ATOM 0 H SER A 106 -0.689 -2.217 10.744 1.00 0.00 H new ATOM 0 HA SER A 106 0.795 -4.372 10.277 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.433 -3.775 12.126 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.125 -5.486 11.903 1.00 0.00 H new ATOM 0 HG SER A 106 0.152 -4.580 13.618 1.00 0.00 H new ATOM 1627 N SER A 107 -2.282 -5.004 9.256 1.00 0.00 N ATOM 1628 CA SER A 107 -3.079 -5.868 8.402 1.00 0.00 C ATOM 1629 C SER A 107 -2.471 -5.923 6.999 1.00 0.00 C ATOM 1630 O SER A 107 -2.210 -7.004 6.474 1.00 0.00 O ATOM 1631 CB SER A 107 -4.530 -5.386 8.333 1.00 0.00 C ATOM 1632 OG SER A 107 -5.435 -6.339 8.884 1.00 0.00 O ATOM 0 H SER A 107 -2.797 -4.235 9.685 1.00 0.00 H new ATOM 0 HA SER A 107 -3.077 -6.870 8.831 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.625 -4.443 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.798 -5.189 7.295 1.00 0.00 H new ATOM 0 HG SER A 107 -6.350 -5.994 8.823 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.263 -4.743 6.433 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.690 -4.644 5.101 1.00 0.00 C ATOM 1640 C TRP A 108 -0.444 -5.531 5.055 1.00 0.00 C ATOM 1641 O TRP A 108 -0.285 -6.336 4.139 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.399 -3.187 4.736 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.545 -2.490 3.999 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.279 -1.448 4.412 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -3.059 -2.829 2.694 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.226 -1.093 3.473 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -4.088 -1.959 2.395 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.669 -3.838 1.796 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.811 -2.010 1.197 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.401 -3.876 0.604 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.439 -3.007 0.287 1.00 0.00 C ATOM 0 H TRP A 108 -2.481 -3.848 6.872 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.397 -4.997 4.350 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.176 -2.632 5.647 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.505 -3.151 4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.146 -0.949 5.360 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.903 -0.334 3.555 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.867 -4.530 2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.613 -1.318 0.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.141 -4.634 -0.121 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.956 -3.101 -0.657 1.00 0.00 H new ATOM 1662 N LEU A 109 0.407 -5.354 6.054 1.00 0.00 N ATOM 1663 CA LEU A 109 1.634 -6.128 6.139 1.00 0.00 C ATOM 1664 C LEU A 109 1.289 -7.618 6.182 1.00 0.00 C ATOM 1665 O LEU A 109 1.872 -8.415 5.448 1.00 0.00 O ATOM 1666 CB LEU A 109 2.482 -5.660 7.323 1.00 0.00 C ATOM 1667 CG LEU A 109 3.442 -4.501 7.043 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.704 -4.994 6.333 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.743 -3.386 6.262 1.00 0.00 C ATOM 0 H LEU A 109 0.271 -4.685 6.812 1.00 0.00 H new ATOM 0 HA LEU A 109 2.248 -5.967 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.812 -5.364 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.063 -6.508 7.686 1.00 0.00 H new ATOM 0 HG LEU A 109 3.754 -4.078 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.369 -4.151 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.213 -5.725 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.431 -5.458 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.447 -2.575 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.383 -3.779 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.900 -3.009 6.841 1.00 0.00 H new ATOM 1681 N ARG A 110 0.343 -7.950 7.048 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.086 -9.330 7.196 1.00 0.00 C ATOM 1683 C ARG A 110 -0.643 -9.857 5.872 1.00 0.00 C ATOM 1684 O ARG A 110 -0.373 -10.995 5.490 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.157 -9.461 8.280 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.768 -10.864 8.281 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.768 -11.025 9.428 1.00 0.00 C ATOM 1688 NE ARG A 110 -2.979 -12.462 9.716 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.074 -12.955 10.311 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -5.063 -12.132 10.684 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.179 -14.273 10.533 1.00 0.00 N ATOM 0 H ARG A 110 -0.139 -7.286 7.655 1.00 0.00 H new ATOM 0 HA ARG A 110 0.784 -9.918 7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.719 -9.250 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.939 -8.720 8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.267 -11.048 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.978 -11.609 8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.398 -10.517 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.716 -10.555 9.164 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.246 -13.117 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.983 -11.129 10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.896 -12.508 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.426 -14.900 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.012 -14.649 10.986 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.410 -9.005 5.208 1.00 0.00 N ATOM 1706 CA VAL A 111 -2.007 -9.370 3.935 1.00 0.00 C ATOM 1707 C VAL A 111 -0.915 -9.443 2.866 1.00 0.00 C ATOM 1708 O VAL A 111 -0.724 -10.484 2.239 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.126 -8.389 3.581 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.923 -8.879 2.371 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -4.043 -8.147 4.781 1.00 0.00 C ATOM 0 H VAL A 111 -1.632 -8.062 5.528 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.466 -10.357 3.998 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.665 -7.438 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.712 -8.163 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.259 -8.975 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.367 -9.849 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.830 -7.446 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.491 -9.090 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.462 -7.732 5.605 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.226 -8.324 2.692 1.00 0.00 N ATOM 1722 CA VAL A 112 0.842 -8.248 1.710 1.00 0.00 C ATOM 1723 C VAL A 112 1.786 -9.437 1.897 1.00 0.00 C ATOM 1724 O VAL A 112 2.319 -9.970 0.925 1.00 0.00 O ATOM 1725 CB VAL A 112 1.553 -6.898 1.814 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.775 -6.849 0.895 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.592 -5.747 1.509 1.00 0.00 C ATOM 0 H VAL A 112 -0.387 -7.463 3.215 1.00 0.00 H new ATOM 0 HA VAL A 112 0.437 -8.310 0.700 1.00 0.00 H new ATOM 0 HB VAL A 112 1.901 -6.782 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.262 -5.878 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.475 -7.635 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.460 -6.999 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.123 -4.799 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.200 -5.858 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.233 -5.763 2.222 1.00 0.00 H new ATOM 1737 N ASN A 113 1.966 -9.818 3.154 1.00 0.00 N ATOM 1738 CA ASN A 113 2.837 -10.934 3.481 1.00 0.00 C ATOM 1739 C ASN A 113 2.165 -12.241 3.055 1.00 0.00 C ATOM 1740 O ASN A 113 2.830 -13.155 2.570 1.00 0.00 O ATOM 1741 CB ASN A 113 3.099 -11.005 4.986 1.00 0.00 C ATOM 1742 CG ASN A 113 4.353 -10.213 5.363 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.453 -10.494 4.916 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.126 -9.211 6.207 1.00 0.00 N ATOM 0 H ASN A 113 1.523 -9.373 3.958 1.00 0.00 H new ATOM 0 HA ASN A 113 3.782 -10.790 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.239 -10.610 5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.217 -12.045 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.898 -8.622 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.180 -9.031 6.542 1.00 0.00 H new ATOM 1751 N ALA A 114 0.856 -12.288 3.253 1.00 0.00 N ATOM 1752 CA ALA A 114 0.087 -13.468 2.896 1.00 0.00 C ATOM 1753 C ALA A 114 0.078 -13.624 1.374 1.00 0.00 C ATOM 1754 O ALA A 114 -0.222 -14.700 0.858 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.323 -13.355 3.478 1.00 0.00 C ATOM 0 H ALA A 114 0.308 -11.528 3.656 1.00 0.00 H new ATOM 0 HA ALA A 114 0.542 -14.364 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.899 -14.240 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.263 -13.276 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.813 -12.468 3.076 1.00 0.00 H new ATOM 1761 N ALA A 115 0.412 -12.535 0.697 1.00 0.00 N ATOM 1762 CA ALA A 115 0.446 -12.538 -0.756 1.00 0.00 C ATOM 1763 C ALA A 115 1.851 -12.916 -1.228 1.00 0.00 C ATOM 1764 O ALA A 115 2.006 -13.724 -2.143 1.00 0.00 O ATOM 1765 CB ALA A 115 0.004 -11.170 -1.279 1.00 0.00 C ATOM 0 H ALA A 115 0.661 -11.645 1.128 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.246 -13.279 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 115 0.029 -11.172 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.011 -10.961 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.678 -10.401 -0.902 1.00 0.00 H new ATOM 1771 N ILE A 116 2.840 -12.315 -0.582 1.00 0.00 N ATOM 1772 CA ILE A 116 4.227 -12.579 -0.925 1.00 0.00 C ATOM 1773 C ILE A 116 4.499 -14.080 -0.812 1.00 0.00 C ATOM 1774 O ILE A 116 4.900 -14.717 -1.785 1.00 0.00 O ATOM 1775 CB ILE A 116 5.162 -11.719 -0.073 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.118 -10.255 -0.517 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.586 -12.279 -0.085 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.618 -9.330 0.594 1.00 0.00 C ATOM 0 H ILE A 116 2.708 -11.646 0.177 1.00 0.00 H new ATOM 0 HA ILE A 116 4.424 -12.296 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 116 4.811 -11.753 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.731 -10.123 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.098 -9.984 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.230 -11.649 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.582 -13.293 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.962 -12.295 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.576 -8.296 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.988 -9.447 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.647 -9.588 0.847 1.00 0.00 H new ATOM 1790 N ALA A 117 4.269 -14.602 0.384 1.00 0.00 N ATOM 1791 CA ALA A 117 4.485 -16.017 0.637 1.00 0.00 C ATOM 1792 C ALA A 117 3.712 -16.839 -0.397 1.00 0.00 C ATOM 1793 O ALA A 117 4.305 -17.604 -1.155 1.00 0.00 O ATOM 1794 CB ALA A 117 4.071 -16.348 2.072 1.00 0.00 C ATOM 0 H ALA A 117 3.935 -14.071 1.188 1.00 0.00 H new ATOM 0 HA ALA A 117 5.541 -16.268 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.233 -17.409 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.669 -15.759 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.016 -16.112 2.210 1.00 0.00 H new ATOM 1800 N SER A 118 2.401 -16.652 -0.394 1.00 0.00 N ATOM 1801 CA SER A 118 1.541 -17.367 -1.322 1.00 0.00 C ATOM 1802 C SER A 118 2.110 -17.275 -2.739 1.00 0.00 C ATOM 1803 O SER A 118 2.020 -16.230 -3.381 1.00 0.00 O ATOM 1804 CB SER A 118 0.114 -16.816 -1.286 1.00 0.00 C ATOM 1805 OG SER A 118 -0.580 -17.053 -2.508 1.00 0.00 O ATOM 0 H SER A 118 1.913 -16.016 0.236 1.00 0.00 H new ATOM 0 HA SER A 118 1.505 -18.413 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.432 -17.277 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.144 -15.745 -1.088 1.00 0.00 H new ATOM 0 HG SER A 118 -1.487 -16.688 -2.445 1.00 0.00 H new ATOM 1811 N GLY A 119 2.683 -18.383 -3.185 1.00 0.00 N ATOM 1812 CA GLY A 119 3.267 -18.441 -4.514 1.00 0.00 C ATOM 1813 C GLY A 119 2.464 -17.593 -5.503 1.00 0.00 C ATOM 1814 O GLY A 119 1.242 -17.713 -5.579 1.00 0.00 O ATOM 0 H GLY A 119 2.755 -19.248 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.297 -18.087 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.297 -19.475 -4.857 1.00 0.00 H new ATOM 1818 N PRO A 120 3.202 -16.734 -6.256 1.00 0.00 N ATOM 1819 CA PRO A 120 2.572 -15.867 -7.237 1.00 0.00 C ATOM 1820 C PRO A 120 2.158 -16.657 -8.481 1.00 0.00 C ATOM 1821 O PRO A 120 2.928 -16.769 -9.434 1.00 0.00 O ATOM 1822 CB PRO A 120 3.604 -14.791 -7.532 1.00 0.00 C ATOM 1823 CG PRO A 120 4.936 -15.352 -7.062 1.00 0.00 C ATOM 1824 CD PRO A 120 4.651 -16.566 -6.193 1.00 0.00 C ATOM 0 HA PRO A 120 1.646 -15.422 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.632 -14.558 -8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 120 3.364 -13.865 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.555 -15.630 -7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.489 -14.601 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.169 -17.450 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.987 -16.407 -5.168 1.00 0.00 H new ATOM 1832 N SER A 121 0.944 -17.183 -8.432 1.00 0.00 N ATOM 1833 CA SER A 121 0.419 -17.959 -9.543 1.00 0.00 C ATOM 1834 C SER A 121 1.316 -19.170 -9.805 1.00 0.00 C ATOM 1835 O SER A 121 2.472 -19.018 -10.197 1.00 0.00 O ATOM 1836 CB SER A 121 0.300 -17.102 -10.805 1.00 0.00 C ATOM 1837 OG SER A 121 -0.611 -16.020 -10.633 1.00 0.00 O ATOM 0 H SER A 121 0.308 -17.087 -7.640 1.00 0.00 H new ATOM 0 HA SER A 121 -0.579 -18.306 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.282 -16.710 -11.071 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.030 -17.725 -11.636 1.00 0.00 H new ATOM 0 HG SER A 121 -0.657 -15.497 -11.460 1.00 0.00 H new ATOM 1843 N SER A 122 0.749 -20.346 -9.579 1.00 0.00 N ATOM 1844 CA SER A 122 1.483 -21.583 -9.787 1.00 0.00 C ATOM 1845 C SER A 122 2.676 -21.649 -8.832 1.00 0.00 C ATOM 1846 O SER A 122 3.727 -21.071 -9.106 1.00 0.00 O ATOM 1847 CB SER A 122 1.955 -21.707 -11.237 1.00 0.00 C ATOM 1848 OG SER A 122 2.812 -22.829 -11.425 1.00 0.00 O ATOM 0 H SER A 122 -0.210 -20.469 -9.254 1.00 0.00 H new ATOM 0 HA SER A 122 0.813 -22.418 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.090 -21.798 -11.893 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.480 -20.797 -11.526 1.00 0.00 H new ATOM 0 HG SER A 122 3.090 -22.874 -12.364 1.00 0.00 H new ATOM 1854 N GLY A 123 2.475 -22.359 -7.732 1.00 0.00 N ATOM 1855 CA GLY A 123 3.522 -22.508 -6.735 1.00 0.00 C ATOM 1856 C GLY A 123 2.985 -23.187 -5.474 1.00 0.00 C ATOM 1857 O GLY A 123 2.066 -22.678 -4.834 1.00 0.00 O ATOM 0 H GLY A 123 1.602 -22.838 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 123 4.342 -23.096 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 123 3.929 -21.529 -6.480 1.00 0.00 H new TER 1861 GLY A 123