USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=34 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 87 THR OG1 : rot -50:sc= 1.11 USER MOD Set 1.2: A 90 SER OG : rot -40:sc= 0.33 USER MOD Set 2.1: A 21 SER OG : rot 113:sc= 0.0017 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -2.72 K(o=-3.3,f=-8.4!) USER MOD Set 2.3: A 82 THR OG1 : rot -111:sc= -0.557! USER MOD Set 3.1: A 73 TYR OH : rot 70:sc= 2.78 USER MOD Set 3.2: A 115 TYR OH : rot -170:sc= 1.04 USER MOD Set 4.1: A 30 MET CE :methyl -140:sc= -1.92! (180deg=-3.06!) USER MOD Set 4.2: A 44 ASN : amide:sc= -5.53! C(o=-7.5!,f=-10!) USER MOD Set 5.1: A 11 GLN : amide:sc= -1.46 K(o=-14,f=-16) USER MOD Set 5.2: A 35 MET CE :methyl -124:sc= -7.37! (180deg=-0.827) USER MOD Set 5.3: A 41 LYS NZ :NH3+ 163:sc= -5.26! (180deg=0.0944) USER MOD Set 6.1: A 34 ASN : amide:sc= 0.11 K(o=0.073,f=-1.9) USER MOD Set 6.2: A 37 GLN : amide:sc= -0.0371 K(o=0.073,f=-1.2!) USER MOD Set 7.1: A 17 SER OG : rot -159:sc= 2.15 USER MOD Set 7.2: A 25 TYR OH : rot 180:sc= -1.31! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.88 X(o=-3.9,f=-3.7!) USER MOD Single : A 12 HIS : no HD1:sc= -8.57! C(o=-8.6!,f=-6.4!) USER MOD Single : A 13 MET CE :methyl 150:sc= -3.12! (180deg=-5.17!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -52:sc= 0.512 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00557 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 27 ASN : amide:sc= -5.51! C(o=-5.5!,f=-8.3!) USER MOD Single : A 28 GLN : amide:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : A 29 MET CE :methyl 170:sc= -2.31! (180deg=-3.07!) USER MOD Single : A 36 THR OG1 : rot 110:sc= -1.4 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 55 GLN : amide:sc= -2.63! K(o=-2.6!,f=-1) USER MOD Single : A 56 ASN : amide:sc= 0.0294 X(o=0.029,f=0) USER MOD Single : A 60 GLN : amide:sc= -4.5! C(o=-4.5!,f=-3.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.15! C(o=-1.2!,f=-5.9!) USER MOD Single : A 69 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.24) USER MOD Single : A 71 ASN : amide:sc= -4.19! K(o=-4.2!,f=-1.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 109:sc= 1.19 USER MOD Single : A 76 ASN : amide:sc= -2.41! K(o=-2.4!,f=-1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -138:sc= -1.15 (180deg=-5.24!) USER MOD Single : A 80 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.078) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 97 TYR OH : rot 30:sc= -0.236 USER MOD Single : A 99 THR OG1 : rot 171:sc= 0.225 USER MOD Single : A 100 SER OG : rot -50:sc= -0.1 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.71! K(o=-1.7!,f=-0.19) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-7.3!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.00285 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.660 -0.419 -7.511 1.00 43.13 N ATOM 50 CA ARG A 4 -5.899 -0.947 -8.069 1.00 41.43 C ATOM 51 C ARG A 4 -5.627 -1.739 -9.345 1.00 21.14 C ATOM 52 O ARG A 4 -5.885 -2.941 -9.407 1.00 41.33 O ATOM 53 CB ARG A 4 -6.877 0.193 -8.363 1.00 22.41 C ATOM 54 CG ARG A 4 -8.251 -0.283 -8.805 1.00 61.13 C ATOM 55 CD ARG A 4 -9.353 0.612 -8.260 1.00 44.43 C ATOM 56 NE ARG A 4 -10.630 0.377 -8.928 1.00 20.42 N ATOM 57 CZ ARG A 4 -11.802 0.743 -8.422 1.00 12.12 C ATOM 58 NH1 ARG A 4 -11.858 1.360 -7.249 1.00 73.43 N ATOM 59 NH2 ARG A 4 -12.922 0.494 -9.089 1.00 65.43 N ATOM 0 HA ARG A 4 -6.343 -1.618 -7.333 1.00 41.43 H new ATOM 0 HB2 ARG A 4 -6.985 0.808 -7.469 1.00 22.41 H new ATOM 0 HB3 ARG A 4 -6.455 0.831 -9.140 1.00 22.41 H new ATOM 0 HG2 ARG A 4 -8.299 -0.299 -9.894 1.00 61.13 H new ATOM 0 HG3 ARG A 4 -8.410 -1.306 -8.464 1.00 61.13 H new ATOM 0 HD2 ARG A 4 -9.466 0.437 -7.190 1.00 44.43 H new ATOM 0 HD3 ARG A 4 -9.066 1.656 -8.384 1.00 44.43 H new ATOM 0 HE ARG A 4 -10.621 -0.094 -9.833 1.00 20.42 H new ATOM 0 HH11 ARG A 4 -11.000 1.554 -6.734 1.00 73.43 H new ATOM 0 HH12 ARG A 4 -12.759 1.640 -6.863 1.00 73.43 H new ATOM 0 HH21 ARG A 4 -12.883 0.021 -9.992 1.00 65.43 H new ATOM 0 HH22 ARG A 4 -13.821 0.776 -8.699 1.00 65.43 H new ATOM 73 N ALA A 5 -5.105 -1.057 -10.359 1.00 22.22 N ATOM 74 CA ALA A 5 -4.796 -1.697 -11.631 1.00 75.45 C ATOM 75 C ALA A 5 -3.954 -2.951 -11.425 1.00 62.52 C ATOM 76 O ALA A 5 -4.307 -4.034 -11.895 1.00 4.42 O ATOM 77 CB ALA A 5 -4.078 -0.722 -12.552 1.00 73.25 C ATOM 0 H ALA A 5 -4.887 -0.061 -10.324 1.00 22.22 H new ATOM 0 HA ALA A 5 -5.735 -1.995 -12.097 1.00 75.45 H new ATOM 0 HB1 ALA A 5 -3.853 -1.214 -13.498 1.00 73.25 H new ATOM 0 HB2 ALA A 5 -4.716 0.143 -12.735 1.00 73.25 H new ATOM 0 HB3 ALA A 5 -3.150 -0.395 -12.084 1.00 73.25 H new ATOM 83 N LYS A 6 -2.838 -2.799 -10.721 1.00 24.34 N ATOM 84 CA LYS A 6 -1.944 -3.919 -10.451 1.00 63.30 C ATOM 85 C LYS A 6 -2.712 -5.100 -9.865 1.00 2.41 C ATOM 86 O LYS A 6 -2.380 -6.258 -10.120 1.00 14.32 O ATOM 87 CB LYS A 6 -0.833 -3.492 -9.489 1.00 41.21 C ATOM 88 CG LYS A 6 0.490 -3.202 -10.178 1.00 32.45 C ATOM 89 CD LYS A 6 1.348 -4.452 -10.284 1.00 52.14 C ATOM 90 CE LYS A 6 2.043 -4.765 -8.968 1.00 72.12 C ATOM 91 NZ LYS A 6 3.379 -4.114 -8.878 1.00 63.41 N ATOM 0 H LYS A 6 -2.530 -1.910 -10.326 1.00 24.34 H new ATOM 0 HA LYS A 6 -1.498 -4.231 -11.396 1.00 63.30 H new ATOM 0 HB2 LYS A 6 -1.154 -2.602 -8.948 1.00 41.21 H new ATOM 0 HB3 LYS A 6 -0.683 -4.278 -8.749 1.00 41.21 H new ATOM 0 HG2 LYS A 6 0.303 -2.802 -11.175 1.00 32.45 H new ATOM 0 HG3 LYS A 6 1.030 -2.435 -9.623 1.00 32.45 H new ATOM 0 HD2 LYS A 6 0.726 -5.297 -10.578 1.00 52.14 H new ATOM 0 HD3 LYS A 6 2.094 -4.317 -11.067 1.00 52.14 H new ATOM 0 HE2 LYS A 6 1.419 -4.430 -8.139 1.00 72.12 H new ATOM 0 HE3 LYS A 6 2.157 -5.844 -8.865 1.00 72.12 H new ATOM 0 HZ1 LYS A 6 3.820 -4.352 -7.967 1.00 63.41 H new ATOM 0 HZ2 LYS A 6 3.983 -4.453 -9.654 1.00 63.41 H new ATOM 0 HZ3 LYS A 6 3.268 -3.082 -8.950 1.00 63.41 H new ATOM 105 N LYS A 7 -3.740 -4.799 -9.080 1.00 14.15 N ATOM 106 CA LYS A 7 -4.558 -5.834 -8.459 1.00 32.40 C ATOM 107 C LYS A 7 -5.425 -6.538 -9.498 1.00 34.32 C ATOM 108 O LYS A 7 -5.862 -7.671 -9.292 1.00 11.21 O ATOM 109 CB LYS A 7 -5.443 -5.228 -7.367 1.00 23.41 C ATOM 110 CG LYS A 7 -6.053 -6.262 -6.436 1.00 14.51 C ATOM 111 CD LYS A 7 -6.661 -5.612 -5.204 1.00 55.12 C ATOM 112 CE LYS A 7 -7.396 -6.628 -4.343 1.00 63.21 C ATOM 113 NZ LYS A 7 -8.082 -5.985 -3.189 1.00 1.42 N ATOM 0 H LYS A 7 -4.027 -3.846 -8.858 1.00 14.15 H new ATOM 0 HA LYS A 7 -3.890 -6.569 -8.010 1.00 32.40 H new ATOM 0 HB2 LYS A 7 -4.851 -4.526 -6.779 1.00 23.41 H new ATOM 0 HB3 LYS A 7 -6.244 -4.656 -7.836 1.00 23.41 H new ATOM 0 HG2 LYS A 7 -6.820 -6.825 -6.968 1.00 14.51 H new ATOM 0 HG3 LYS A 7 -5.288 -6.976 -6.132 1.00 14.51 H new ATOM 0 HD2 LYS A 7 -5.875 -5.137 -4.617 1.00 55.12 H new ATOM 0 HD3 LYS A 7 -7.351 -4.825 -5.509 1.00 55.12 H new ATOM 0 HE2 LYS A 7 -8.129 -7.157 -4.952 1.00 63.21 H new ATOM 0 HE3 LYS A 7 -6.689 -7.372 -3.976 1.00 63.21 H new ATOM 0 HZ1 LYS A 7 -8.571 -6.711 -2.627 1.00 1.42 H new ATOM 0 HZ2 LYS A 7 -7.380 -5.501 -2.594 1.00 1.42 H new ATOM 0 HZ3 LYS A 7 -8.775 -5.293 -3.539 1.00 1.42 H new ATOM 127 N PHE A 8 -5.670 -5.861 -10.615 1.00 1.03 N ATOM 128 CA PHE A 8 -6.485 -6.422 -11.686 1.00 64.02 C ATOM 129 C PHE A 8 -5.673 -7.399 -12.532 1.00 31.12 C ATOM 130 O PHE A 8 -6.056 -8.557 -12.699 1.00 52.54 O ATOM 131 CB PHE A 8 -7.041 -5.305 -12.571 1.00 12.41 C ATOM 132 CG PHE A 8 -7.302 -5.734 -13.986 1.00 74.52 C ATOM 133 CD1 PHE A 8 -8.478 -6.388 -14.320 1.00 23.11 C ATOM 134 CD2 PHE A 8 -6.373 -5.484 -14.983 1.00 31.51 C ATOM 135 CE1 PHE A 8 -8.720 -6.785 -15.621 1.00 71.43 C ATOM 136 CE2 PHE A 8 -6.610 -5.879 -16.286 1.00 71.02 C ATOM 137 CZ PHE A 8 -7.786 -6.529 -16.606 1.00 22.41 C ATOM 0 H PHE A 8 -5.316 -4.923 -10.802 1.00 1.03 H new ATOM 0 HA PHE A 8 -7.315 -6.964 -11.232 1.00 64.02 H new ATOM 0 HB2 PHE A 8 -7.969 -4.935 -12.135 1.00 12.41 H new ATOM 0 HB3 PHE A 8 -6.337 -4.473 -12.576 1.00 12.41 H new ATOM 0 HD1 PHE A 8 -9.213 -6.589 -13.555 1.00 23.11 H new ATOM 0 HD2 PHE A 8 -5.453 -4.974 -14.739 1.00 31.51 H new ATOM 0 HE1 PHE A 8 -9.639 -7.295 -15.868 1.00 71.43 H new ATOM 0 HE2 PHE A 8 -5.876 -5.680 -17.053 1.00 71.02 H new ATOM 0 HZ PHE A 8 -7.975 -6.836 -17.624 1.00 22.41 H new ATOM 147 N GLN A 9 -4.551 -6.923 -13.062 1.00 72.21 N ATOM 148 CA GLN A 9 -3.686 -7.754 -13.891 1.00 74.05 C ATOM 149 C GLN A 9 -3.445 -9.111 -13.238 1.00 54.21 C ATOM 150 O GLN A 9 -4.004 -10.123 -13.662 1.00 1.30 O ATOM 151 CB GLN A 9 -2.351 -7.049 -14.139 1.00 34.42 C ATOM 152 CG GLN A 9 -2.457 -5.857 -15.076 1.00 71.42 C ATOM 153 CD GLN A 9 -2.240 -4.536 -14.366 1.00 41.43 C ATOM 154 OE1 GLN A 9 -1.260 -4.360 -13.642 1.00 65.51 O ATOM 155 NE2 GLN A 9 -3.156 -3.596 -14.571 1.00 22.14 N ATOM 0 H GLN A 9 -4.220 -5.967 -12.932 1.00 72.21 H new ATOM 0 HA GLN A 9 -4.186 -7.915 -14.846 1.00 74.05 H new ATOM 0 HB2 GLN A 9 -1.943 -6.715 -13.185 1.00 34.42 H new ATOM 0 HB3 GLN A 9 -1.643 -7.766 -14.555 1.00 34.42 H new ATOM 0 HG2 GLN A 9 -1.722 -5.961 -15.875 1.00 71.42 H new ATOM 0 HG3 GLN A 9 -3.441 -5.855 -15.546 1.00 71.42 H new ATOM 0 HE21 GLN A 9 -3.953 -3.784 -15.179 1.00 22.14 H new ATOM 0 HE22 GLN A 9 -3.062 -2.686 -14.120 1.00 22.14 H new ATOM 164 N ARG A 10 -2.610 -9.124 -12.204 1.00 72.23 N ATOM 165 CA ARG A 10 -2.294 -10.357 -11.493 1.00 71.24 C ATOM 166 C ARG A 10 -3.562 -11.150 -11.190 1.00 70.22 C ATOM 167 O ARG A 10 -3.499 -12.328 -10.838 1.00 0.43 O ATOM 168 CB ARG A 10 -1.552 -10.045 -10.193 1.00 24.12 C ATOM 169 CG ARG A 10 -0.371 -9.105 -10.376 1.00 33.21 C ATOM 170 CD ARG A 10 0.792 -9.490 -9.475 1.00 62.14 C ATOM 171 NE ARG A 10 0.401 -9.544 -8.069 1.00 63.53 N ATOM 172 CZ ARG A 10 1.258 -9.409 -7.063 1.00 15.22 C ATOM 173 NH1 ARG A 10 2.546 -9.211 -7.306 1.00 72.20 N ATOM 174 NH2 ARG A 10 0.825 -9.470 -5.810 1.00 23.13 N ATOM 0 H ARG A 10 -2.140 -8.295 -11.840 1.00 72.23 H new ATOM 0 HA ARG A 10 -1.652 -10.962 -12.133 1.00 71.24 H new ATOM 0 HB2 ARG A 10 -2.251 -9.603 -9.483 1.00 24.12 H new ATOM 0 HB3 ARG A 10 -1.198 -10.978 -9.754 1.00 24.12 H new ATOM 0 HG2 ARG A 10 -0.048 -9.123 -11.417 1.00 33.21 H new ATOM 0 HG3 ARG A 10 -0.680 -8.083 -10.156 1.00 33.21 H new ATOM 0 HD2 ARG A 10 1.181 -10.461 -9.781 1.00 62.14 H new ATOM 0 HD3 ARG A 10 1.600 -8.769 -9.599 1.00 62.14 H new ATOM 0 HE ARG A 10 -0.583 -9.693 -7.847 1.00 63.53 H new ATOM 0 HH11 ARG A 10 2.882 -9.162 -8.268 1.00 72.20 H new ATOM 0 HH12 ARG A 10 3.201 -9.108 -6.531 1.00 72.20 H new ATOM 0 HH21 ARG A 10 -0.166 -9.621 -5.620 1.00 23.13 H new ATOM 0 HH22 ARG A 10 1.483 -9.366 -5.037 1.00 23.13 H new ATOM 188 N GLN A 11 -4.711 -10.496 -11.329 1.00 45.14 N ATOM 189 CA GLN A 11 -5.992 -11.140 -11.069 1.00 75.00 C ATOM 190 C GLN A 11 -6.404 -12.027 -12.240 1.00 10.52 C ATOM 191 O GLN A 11 -6.507 -13.246 -12.102 1.00 54.14 O ATOM 192 CB GLN A 11 -7.072 -10.088 -10.806 1.00 64.23 C ATOM 193 CG GLN A 11 -7.893 -10.358 -9.556 1.00 24.13 C ATOM 194 CD GLN A 11 -8.051 -11.838 -9.270 1.00 21.44 C ATOM 195 OE1 GLN A 11 -8.537 -12.596 -10.109 1.00 74.24 O ATOM 196 NE2 GLN A 11 -7.640 -12.259 -8.079 1.00 45.21 N ATOM 0 H GLN A 11 -4.780 -9.521 -11.620 1.00 45.14 H new ATOM 0 HA GLN A 11 -5.882 -11.767 -10.184 1.00 75.00 H new ATOM 0 HB2 GLN A 11 -6.600 -9.110 -10.716 1.00 64.23 H new ATOM 0 HB3 GLN A 11 -7.740 -10.042 -11.666 1.00 64.23 H new ATOM 0 HG2 GLN A 11 -7.417 -9.876 -8.702 1.00 24.13 H new ATOM 0 HG3 GLN A 11 -8.879 -9.906 -9.669 1.00 24.13 H new ATOM 0 HE21 GLN A 11 -7.243 -11.596 -7.413 1.00 45.21 H new ATOM 0 HE22 GLN A 11 -7.722 -13.245 -7.831 1.00 45.21 H new ATOM 205 N HIS A 12 -6.638 -11.406 -13.392 1.00 14.02 N ATOM 206 CA HIS A 12 -7.039 -12.139 -14.587 1.00 62.25 C ATOM 207 C HIS A 12 -6.004 -11.977 -15.697 1.00 2.54 C ATOM 208 O HIS A 12 -5.721 -12.917 -16.438 1.00 34.52 O ATOM 209 CB HIS A 12 -8.405 -11.656 -15.074 1.00 52.31 C ATOM 210 CG HIS A 12 -9.173 -10.891 -14.040 1.00 72.42 C ATOM 211 ND1 HIS A 12 -10.280 -11.401 -13.395 1.00 72.43 N ATOM 212 CD2 HIS A 12 -8.987 -9.648 -13.539 1.00 12.12 C ATOM 213 CE1 HIS A 12 -10.743 -10.504 -12.543 1.00 61.03 C ATOM 214 NE2 HIS A 12 -9.976 -9.431 -12.611 1.00 23.03 N ATOM 0 H HIS A 12 -6.557 -10.398 -13.523 1.00 14.02 H new ATOM 0 HA HIS A 12 -7.107 -13.196 -14.328 1.00 62.25 H new ATOM 0 HB2 HIS A 12 -8.266 -11.025 -15.952 1.00 52.31 H new ATOM 0 HB3 HIS A 12 -8.994 -12.517 -15.390 1.00 52.31 H new ATOM 0 HD2 HIS A 12 -8.206 -8.955 -13.817 1.00 12.12 H new ATOM 0 HE1 HIS A 12 -11.602 -10.627 -11.900 1.00 61.03 H new ATOM 0 HE2 HIS A 12 -10.098 -8.579 -12.063 1.00 23.03 H new ATOM 222 N MET A 13 -5.443 -10.777 -15.804 1.00 44.33 N ATOM 223 CA MET A 13 -4.439 -10.492 -16.823 1.00 3.40 C ATOM 224 C MET A 13 -3.046 -10.884 -16.339 1.00 13.32 C ATOM 225 O MET A 13 -2.556 -10.359 -15.339 1.00 42.52 O ATOM 226 CB MET A 13 -4.464 -9.007 -17.193 1.00 24.32 C ATOM 227 CG MET A 13 -3.126 -8.311 -17.002 1.00 0.01 C ATOM 228 SD MET A 13 -1.866 -8.901 -18.148 1.00 63.44 S ATOM 229 CE MET A 13 -2.148 -7.820 -19.548 1.00 2.21 C ATOM 0 H MET A 13 -5.666 -9.987 -15.198 1.00 44.33 H new ATOM 0 HA MET A 13 -4.677 -11.084 -17.707 1.00 3.40 H new ATOM 0 HB2 MET A 13 -4.772 -8.905 -18.234 1.00 24.32 H new ATOM 0 HB3 MET A 13 -5.217 -8.503 -16.587 1.00 24.32 H new ATOM 0 HG2 MET A 13 -3.257 -7.237 -17.134 1.00 0.01 H new ATOM 0 HG3 MET A 13 -2.783 -8.467 -15.979 1.00 0.01 H new ATOM 0 HE1 MET A 13 -1.210 -7.662 -20.081 1.00 2.21 H new ATOM 0 HE2 MET A 13 -2.875 -8.277 -20.220 1.00 2.21 H new ATOM 0 HE3 MET A 13 -2.531 -6.862 -19.197 1.00 2.21 H new ATOM 239 N ASP A 14 -2.415 -11.809 -17.053 1.00 74.02 N ATOM 240 CA ASP A 14 -1.079 -12.271 -16.697 1.00 2.44 C ATOM 241 C ASP A 14 -0.285 -12.651 -17.942 1.00 42.14 C ATOM 242 O ASP A 14 -0.483 -13.723 -18.513 1.00 62.35 O ATOM 243 CB ASP A 14 -1.166 -13.467 -15.747 1.00 44.42 C ATOM 244 CG ASP A 14 -2.021 -13.178 -14.529 1.00 61.11 C ATOM 245 OD1 ASP A 14 -1.487 -12.620 -13.548 1.00 43.45 O ATOM 246 OD2 ASP A 14 -3.224 -13.512 -14.556 1.00 53.42 O ATOM 0 H ASP A 14 -2.808 -12.254 -17.883 1.00 74.02 H new ATOM 0 HA ASP A 14 -0.561 -11.454 -16.194 1.00 2.44 H new ATOM 0 HB2 ASP A 14 -1.578 -14.323 -16.282 1.00 44.42 H new ATOM 0 HB3 ASP A 14 -0.162 -13.745 -15.425 1.00 44.42 H new ATOM 251 N SER A 15 0.614 -11.764 -18.359 1.00 35.20 N ATOM 252 CA SER A 15 1.434 -12.005 -19.540 1.00 42.31 C ATOM 253 C SER A 15 2.648 -12.862 -19.193 1.00 11.50 C ATOM 254 O SER A 15 3.103 -13.669 -20.003 1.00 23.32 O ATOM 255 CB SER A 15 1.890 -10.677 -20.149 1.00 62.42 C ATOM 256 OG SER A 15 2.622 -10.889 -21.344 1.00 21.21 O ATOM 0 H SER A 15 0.792 -10.873 -17.896 1.00 35.20 H new ATOM 0 HA SER A 15 0.828 -12.543 -20.270 1.00 42.31 H new ATOM 0 HB2 SER A 15 1.022 -10.051 -20.357 1.00 62.42 H new ATOM 0 HB3 SER A 15 2.508 -10.137 -19.431 1.00 62.42 H new ATOM 0 HG SER A 15 2.901 -10.026 -21.714 1.00 21.21 H new ATOM 262 N ASP A 16 3.167 -12.679 -17.984 1.00 14.22 N ATOM 263 CA ASP A 16 4.327 -13.435 -17.527 1.00 71.23 C ATOM 264 C ASP A 16 4.285 -14.866 -18.055 1.00 14.04 C ATOM 265 O ASP A 16 5.301 -15.408 -18.490 1.00 15.10 O ATOM 266 CB ASP A 16 4.388 -13.443 -15.999 1.00 60.20 C ATOM 267 CG ASP A 16 5.743 -13.879 -15.476 1.00 73.01 C ATOM 268 OD1 ASP A 16 6.766 -13.392 -16.000 1.00 43.43 O ATOM 269 OD2 ASP A 16 5.779 -14.707 -14.542 1.00 43.12 O ATOM 0 H ASP A 16 2.803 -12.013 -17.302 1.00 14.22 H new ATOM 0 HA ASP A 16 5.222 -12.950 -17.915 1.00 71.23 H new ATOM 0 HB2 ASP A 16 4.161 -12.445 -15.624 1.00 60.20 H new ATOM 0 HB3 ASP A 16 3.620 -14.112 -15.611 1.00 60.20 H new ATOM 274 N SER A 17 3.103 -15.473 -18.011 1.00 52.31 N ATOM 275 CA SER A 17 2.929 -16.843 -18.480 1.00 0.51 C ATOM 276 C SER A 17 3.275 -16.958 -19.961 1.00 55.45 C ATOM 277 O SER A 17 3.415 -15.952 -20.657 1.00 61.03 O ATOM 278 CB SER A 17 1.491 -17.307 -18.242 1.00 53.34 C ATOM 279 OG SER A 17 1.269 -17.600 -16.874 1.00 12.11 O ATOM 0 H SER A 17 2.252 -15.038 -17.655 1.00 52.31 H new ATOM 0 HA SER A 17 3.607 -17.483 -17.916 1.00 0.51 H new ATOM 0 HB2 SER A 17 0.797 -16.532 -18.568 1.00 53.34 H new ATOM 0 HB3 SER A 17 1.287 -18.192 -18.844 1.00 53.34 H new ATOM 0 HG SER A 17 0.496 -18.196 -16.788 1.00 12.11 H new ATOM 285 N SER A 18 3.410 -18.191 -20.437 1.00 20.41 N ATOM 286 CA SER A 18 3.743 -18.440 -21.835 1.00 11.33 C ATOM 287 C SER A 18 2.557 -19.050 -22.575 1.00 60.24 C ATOM 288 O SER A 18 1.643 -19.617 -21.976 1.00 52.41 O ATOM 289 CB SER A 18 4.954 -19.368 -21.935 1.00 65.52 C ATOM 290 OG SER A 18 6.134 -18.639 -22.225 1.00 1.53 O ATOM 0 H SER A 18 3.294 -19.034 -19.875 1.00 20.41 H new ATOM 0 HA SER A 18 3.987 -17.485 -22.301 1.00 11.33 H new ATOM 0 HB2 SER A 18 5.079 -19.910 -20.998 1.00 65.52 H new ATOM 0 HB3 SER A 18 4.782 -20.112 -22.713 1.00 65.52 H new ATOM 0 HG SER A 18 6.894 -19.255 -22.282 1.00 1.53 H new ATOM 296 N PRO A 19 2.571 -18.933 -23.912 1.00 0.25 N ATOM 297 CA PRO A 19 1.505 -19.467 -24.764 1.00 50.23 C ATOM 298 C PRO A 19 1.500 -20.991 -24.800 1.00 63.24 C ATOM 299 O PRO A 19 2.270 -21.641 -24.092 1.00 54.32 O ATOM 300 CB PRO A 19 1.839 -18.900 -26.147 1.00 21.25 C ATOM 301 CG PRO A 19 3.308 -18.655 -26.110 1.00 41.04 C ATOM 302 CD PRO A 19 3.629 -18.270 -24.693 1.00 31.14 C ATOM 0 HA PRO A 19 0.515 -19.189 -24.401 1.00 50.23 H new ATOM 0 HB2 PRO A 19 1.574 -19.602 -26.937 1.00 21.25 H new ATOM 0 HB3 PRO A 19 1.289 -17.979 -26.341 1.00 21.25 H new ATOM 0 HG2 PRO A 19 3.860 -19.547 -26.406 1.00 41.04 H new ATOM 0 HG3 PRO A 19 3.589 -17.862 -26.803 1.00 41.04 H new ATOM 0 HD2 PRO A 19 4.621 -18.613 -24.398 1.00 31.14 H new ATOM 0 HD3 PRO A 19 3.612 -17.189 -24.556 1.00 31.14 H new ATOM 310 N SER A 20 0.629 -21.556 -25.630 1.00 61.30 N ATOM 311 CA SER A 20 0.522 -23.005 -25.756 1.00 23.23 C ATOM 312 C SER A 20 0.170 -23.642 -24.415 1.00 22.31 C ATOM 313 O SER A 20 0.795 -24.616 -23.995 1.00 34.50 O ATOM 314 CB SER A 20 1.834 -23.591 -26.283 1.00 11.44 C ATOM 315 OG SER A 20 1.714 -24.983 -26.514 1.00 71.44 O ATOM 0 H SER A 20 -0.013 -21.032 -26.225 1.00 61.30 H new ATOM 0 HA SER A 20 -0.277 -23.225 -26.464 1.00 23.23 H new ATOM 0 HB2 SER A 20 2.115 -23.088 -27.209 1.00 11.44 H new ATOM 0 HB3 SER A 20 2.633 -23.406 -25.565 1.00 11.44 H new ATOM 0 HG SER A 20 1.357 -25.418 -25.712 1.00 71.44 H new ATOM 321 N SER A 21 -0.835 -23.084 -23.748 1.00 21.35 N ATOM 322 CA SER A 21 -1.269 -23.594 -22.452 1.00 61.43 C ATOM 323 C SER A 21 -2.421 -24.582 -22.615 1.00 44.34 C ATOM 324 O SER A 21 -3.568 -24.186 -22.822 1.00 3.31 O ATOM 325 CB SER A 21 -1.696 -22.441 -21.543 1.00 53.52 C ATOM 326 OG SER A 21 -0.661 -21.481 -21.416 1.00 53.03 O ATOM 0 H SER A 21 -1.364 -22.279 -24.083 1.00 21.35 H new ATOM 0 HA SER A 21 -0.428 -24.115 -21.994 1.00 61.43 H new ATOM 0 HB2 SER A 21 -2.589 -21.966 -21.949 1.00 53.52 H new ATOM 0 HB3 SER A 21 -1.960 -22.828 -20.559 1.00 53.52 H new ATOM 0 HG SER A 21 -0.935 -20.646 -21.850 1.00 53.03 H new ATOM 332 N SER A 22 -2.106 -25.870 -22.521 1.00 45.42 N ATOM 333 CA SER A 22 -3.112 -26.915 -22.662 1.00 33.11 C ATOM 334 C SER A 22 -3.230 -27.732 -21.379 1.00 11.02 C ATOM 335 O SER A 22 -4.325 -28.130 -20.982 1.00 31.13 O ATOM 336 CB SER A 22 -2.764 -27.834 -23.835 1.00 4.34 C ATOM 337 OG SER A 22 -1.643 -28.646 -23.530 1.00 71.13 O ATOM 0 H SER A 22 -1.162 -26.214 -22.348 1.00 45.42 H new ATOM 0 HA SER A 22 -4.072 -26.436 -22.857 1.00 33.11 H new ATOM 0 HB2 SER A 22 -3.620 -28.465 -24.073 1.00 4.34 H new ATOM 0 HB3 SER A 22 -2.553 -27.235 -24.721 1.00 4.34 H new ATOM 0 HG SER A 22 -1.441 -29.226 -24.294 1.00 71.13 H new ATOM 343 N SER A 23 -2.094 -27.978 -20.735 1.00 4.22 N ATOM 344 CA SER A 23 -2.067 -28.750 -19.498 1.00 73.44 C ATOM 345 C SER A 23 -2.844 -28.038 -18.396 1.00 13.43 C ATOM 346 O SER A 23 -3.519 -27.037 -18.642 1.00 4.34 O ATOM 347 CB SER A 23 -0.624 -28.986 -19.050 1.00 63.20 C ATOM 348 OG SER A 23 0.048 -27.758 -18.827 1.00 32.55 O ATOM 0 H SER A 23 -1.179 -27.654 -21.049 1.00 4.22 H new ATOM 0 HA SER A 23 -2.542 -29.712 -19.689 1.00 73.44 H new ATOM 0 HB2 SER A 23 -0.616 -29.580 -18.136 1.00 63.20 H new ATOM 0 HB3 SER A 23 -0.094 -29.562 -19.809 1.00 63.20 H new ATOM 0 HG SER A 23 0.968 -27.936 -18.540 1.00 32.55 H new ATOM 354 N THR A 24 -2.745 -28.561 -17.177 1.00 52.44 N ATOM 355 CA THR A 24 -3.439 -27.977 -16.036 1.00 45.33 C ATOM 356 C THR A 24 -2.937 -26.565 -15.752 1.00 34.43 C ATOM 357 O THR A 24 -3.286 -25.966 -14.734 1.00 50.35 O ATOM 358 CB THR A 24 -3.261 -28.837 -14.771 1.00 13.01 C ATOM 359 OG1 THR A 24 -1.990 -29.496 -14.801 1.00 12.25 O ATOM 360 CG2 THR A 24 -4.372 -29.871 -14.660 1.00 4.14 C ATOM 0 H THR A 24 -2.191 -29.388 -16.955 1.00 52.44 H new ATOM 0 HA THR A 24 -4.497 -27.939 -16.294 1.00 45.33 H new ATOM 0 HB THR A 24 -3.308 -28.181 -13.902 1.00 13.01 H new ATOM 0 HG1 THR A 24 -1.884 -30.039 -13.992 1.00 12.25 H new ATOM 0 HG21 THR A 24 -4.226 -30.467 -13.759 1.00 4.14 H new ATOM 0 HG22 THR A 24 -5.336 -29.365 -14.608 1.00 4.14 H new ATOM 0 HG23 THR A 24 -4.351 -30.523 -15.533 1.00 4.14 H new ATOM 368 N TYR A 25 -2.119 -26.040 -16.656 1.00 44.01 N ATOM 369 CA TYR A 25 -1.568 -24.699 -16.501 1.00 0.20 C ATOM 370 C TYR A 25 -2.549 -23.789 -15.768 1.00 3.31 C ATOM 371 O TYR A 25 -2.195 -23.140 -14.783 1.00 21.02 O ATOM 372 CB TYR A 25 -1.227 -24.104 -17.868 1.00 42.41 C ATOM 373 CG TYR A 25 -1.132 -22.595 -17.865 1.00 1.41 C ATOM 374 CD1 TYR A 25 0.040 -21.953 -17.485 1.00 23.15 C ATOM 375 CD2 TYR A 25 -2.215 -21.810 -18.243 1.00 63.23 C ATOM 376 CE1 TYR A 25 0.131 -20.575 -17.479 1.00 51.34 C ATOM 377 CE2 TYR A 25 -2.133 -20.431 -18.243 1.00 24.14 C ATOM 378 CZ TYR A 25 -0.958 -19.818 -17.859 1.00 60.24 C ATOM 379 OH TYR A 25 -0.871 -18.445 -17.857 1.00 52.20 O ATOM 0 H TYR A 25 -1.822 -26.522 -17.504 1.00 44.01 H new ATOM 0 HA TYR A 25 -0.657 -24.774 -15.908 1.00 0.20 H new ATOM 0 HB2 TYR A 25 -0.278 -24.519 -18.209 1.00 42.41 H new ATOM 0 HB3 TYR A 25 -1.986 -24.410 -18.588 1.00 42.41 H new ATOM 0 HD1 TYR A 25 0.895 -22.542 -17.189 1.00 23.15 H new ATOM 0 HD2 TYR A 25 -3.137 -22.287 -18.542 1.00 63.23 H new ATOM 0 HE1 TYR A 25 1.049 -20.093 -17.179 1.00 51.34 H new ATOM 0 HE2 TYR A 25 -2.984 -19.836 -18.542 1.00 24.14 H new ATOM 0 HH TYR A 25 -1.724 -18.063 -18.152 1.00 52.20 H new ATOM 389 N CYS A 26 -3.784 -23.746 -16.256 1.00 30.33 N ATOM 390 CA CYS A 26 -4.818 -22.917 -15.649 1.00 52.10 C ATOM 391 C CYS A 26 -5.137 -23.393 -14.235 1.00 1.34 C ATOM 392 O CYS A 26 -5.016 -22.636 -13.272 1.00 64.12 O ATOM 393 CB CYS A 26 -6.086 -22.940 -16.504 1.00 55.44 C ATOM 394 SG CYS A 26 -6.131 -21.663 -17.803 1.00 4.42 S ATOM 0 H CYS A 26 -4.093 -24.276 -17.071 1.00 30.33 H new ATOM 0 HA CYS A 26 -4.443 -21.895 -15.594 1.00 52.10 H new ATOM 0 HB2 CYS A 26 -6.179 -23.921 -16.970 1.00 55.44 H new ATOM 0 HB3 CYS A 26 -6.952 -22.813 -15.854 1.00 55.44 H new ATOM 399 N ASN A 27 -5.545 -24.652 -14.118 1.00 23.33 N ATOM 400 CA ASN A 27 -5.881 -25.230 -12.821 1.00 52.44 C ATOM 401 C ASN A 27 -5.010 -24.635 -11.719 1.00 34.23 C ATOM 402 O ASN A 27 -5.518 -24.057 -10.758 1.00 40.55 O ATOM 403 CB ASN A 27 -5.711 -26.750 -12.857 1.00 53.22 C ATOM 404 CG ASN A 27 -5.798 -27.374 -11.478 1.00 1.22 C ATOM 405 OD1 ASN A 27 -5.908 -26.672 -10.472 1.00 45.25 O ATOM 406 ND2 ASN A 27 -5.749 -28.700 -11.424 1.00 42.24 N ATOM 0 H ASN A 27 -5.651 -25.292 -14.905 1.00 23.33 H new ATOM 0 HA ASN A 27 -6.923 -24.993 -12.604 1.00 52.44 H new ATOM 0 HB2 ASN A 27 -6.478 -27.184 -13.498 1.00 53.22 H new ATOM 0 HB3 ASN A 27 -4.747 -26.995 -13.303 1.00 53.22 H new ATOM 0 HD21 ASN A 27 -5.803 -29.176 -10.524 1.00 42.24 H new ATOM 0 HD22 ASN A 27 -5.657 -29.242 -12.283 1.00 42.24 H new ATOM 413 N GLN A 28 -3.698 -24.782 -11.865 1.00 24.31 N ATOM 414 CA GLN A 28 -2.757 -24.260 -10.881 1.00 44.11 C ATOM 415 C GLN A 28 -2.630 -22.745 -11.000 1.00 45.24 C ATOM 416 O GLN A 28 -2.818 -22.018 -10.025 1.00 51.14 O ATOM 417 CB GLN A 28 -1.385 -24.914 -11.058 1.00 73.13 C ATOM 418 CG GLN A 28 -1.167 -26.123 -10.162 1.00 55.42 C ATOM 419 CD GLN A 28 -0.058 -27.027 -10.661 1.00 43.24 C ATOM 420 OE1 GLN A 28 1.004 -27.125 -10.045 1.00 14.24 O ATOM 421 NE2 GLN A 28 -0.297 -27.694 -11.784 1.00 72.02 N ATOM 0 H GLN A 28 -3.262 -25.258 -12.655 1.00 24.31 H new ATOM 0 HA GLN A 28 -3.139 -24.498 -9.888 1.00 44.11 H new ATOM 0 HB2 GLN A 28 -1.268 -25.217 -12.098 1.00 73.13 H new ATOM 0 HB3 GLN A 28 -0.610 -24.175 -10.852 1.00 73.13 H new ATOM 0 HG2 GLN A 28 -0.929 -25.785 -9.154 1.00 55.42 H new ATOM 0 HG3 GLN A 28 -2.094 -26.693 -10.096 1.00 55.42 H new ATOM 0 HE21 GLN A 28 -1.191 -27.583 -12.262 1.00 72.02 H new ATOM 0 HE22 GLN A 28 0.413 -28.317 -12.168 1.00 72.02 H new ATOM 430 N MET A 29 -2.308 -22.276 -12.202 1.00 13.44 N ATOM 431 CA MET A 29 -2.157 -20.846 -12.448 1.00 20.21 C ATOM 432 C MET A 29 -3.142 -20.042 -11.605 1.00 61.12 C ATOM 433 O MET A 29 -2.742 -19.267 -10.737 1.00 63.21 O ATOM 434 CB MET A 29 -2.367 -20.538 -13.932 1.00 5.44 C ATOM 435 CG MET A 29 -1.109 -20.702 -14.770 1.00 73.10 C ATOM 436 SD MET A 29 -0.157 -19.176 -14.901 1.00 73.41 S ATOM 437 CE MET A 29 0.225 -18.867 -13.179 1.00 14.32 C ATOM 0 H MET A 29 -2.147 -22.864 -13.019 1.00 13.44 H new ATOM 0 HA MET A 29 -1.145 -20.558 -12.164 1.00 20.21 H new ATOM 0 HB2 MET A 29 -3.144 -21.194 -14.325 1.00 5.44 H new ATOM 0 HB3 MET A 29 -2.732 -19.516 -14.035 1.00 5.44 H new ATOM 0 HG2 MET A 29 -0.483 -21.479 -14.331 1.00 73.10 H new ATOM 0 HG3 MET A 29 -1.384 -21.041 -15.769 1.00 73.10 H new ATOM 0 HE1 MET A 29 0.955 -18.061 -13.107 1.00 14.32 H new ATOM 0 HE2 MET A 29 -0.684 -18.581 -12.650 1.00 14.32 H new ATOM 0 HE3 MET A 29 0.637 -19.771 -12.730 1.00 14.32 H new ATOM 447 N MET A 30 -4.431 -20.232 -11.868 1.00 1.23 N ATOM 448 CA MET A 30 -5.472 -19.524 -11.132 1.00 73.10 C ATOM 449 C MET A 30 -5.342 -19.770 -9.632 1.00 63.43 C ATOM 450 O MET A 30 -5.662 -18.902 -8.821 1.00 55.20 O ATOM 451 CB MET A 30 -6.856 -19.964 -11.614 1.00 61.04 C ATOM 452 CG MET A 30 -7.482 -19.009 -12.618 1.00 2.14 C ATOM 453 SD MET A 30 -8.354 -17.644 -11.826 1.00 52.31 S ATOM 454 CE MET A 30 -7.080 -16.385 -11.820 1.00 64.44 C ATOM 0 H MET A 30 -4.779 -20.869 -12.584 1.00 1.23 H new ATOM 0 HA MET A 30 -5.352 -18.457 -11.319 1.00 73.10 H new ATOM 0 HB2 MET A 30 -6.777 -20.953 -12.066 1.00 61.04 H new ATOM 0 HB3 MET A 30 -7.518 -20.059 -10.753 1.00 61.04 H new ATOM 0 HG2 MET A 30 -6.704 -18.610 -13.268 1.00 2.14 H new ATOM 0 HG3 MET A 30 -8.176 -19.559 -13.253 1.00 2.14 H new ATOM 0 HE1 MET A 30 -7.111 -15.841 -10.876 1.00 64.44 H new ATOM 0 HE2 MET A 30 -6.103 -16.855 -11.936 1.00 64.44 H new ATOM 0 HE3 MET A 30 -7.249 -15.692 -12.644 1.00 64.44 H new ATOM 464 N ARG A 31 -4.869 -20.959 -9.271 1.00 74.14 N ATOM 465 CA ARG A 31 -4.698 -21.319 -7.869 1.00 73.41 C ATOM 466 C ARG A 31 -3.471 -20.633 -7.277 1.00 41.41 C ATOM 467 O ARG A 31 -3.399 -20.401 -6.070 1.00 42.22 O ATOM 468 CB ARG A 31 -4.567 -22.837 -7.723 1.00 12.54 C ATOM 469 CG ARG A 31 -4.083 -23.276 -6.351 1.00 35.45 C ATOM 470 CD ARG A 31 -4.704 -24.602 -5.940 1.00 32.52 C ATOM 471 NE ARG A 31 -4.805 -24.733 -4.489 1.00 32.43 N ATOM 472 CZ ARG A 31 -3.781 -25.058 -3.707 1.00 54.40 C ATOM 473 NH1 ARG A 31 -2.586 -25.282 -4.234 1.00 63.21 N ATOM 474 NH2 ARG A 31 -3.952 -25.157 -2.395 1.00 33.11 N ATOM 0 H ARG A 31 -4.598 -21.689 -9.930 1.00 74.14 H new ATOM 0 HA ARG A 31 -5.579 -20.982 -7.323 1.00 73.41 H new ATOM 0 HB2 ARG A 31 -5.534 -23.298 -7.922 1.00 12.54 H new ATOM 0 HB3 ARG A 31 -3.875 -23.208 -8.479 1.00 12.54 H new ATOM 0 HG2 ARG A 31 -2.997 -23.369 -6.359 1.00 35.45 H new ATOM 0 HG3 ARG A 31 -4.332 -22.512 -5.614 1.00 35.45 H new ATOM 0 HD2 ARG A 31 -5.697 -24.690 -6.382 1.00 32.52 H new ATOM 0 HD3 ARG A 31 -4.105 -25.421 -6.337 1.00 32.52 H new ATOM 0 HE ARG A 31 -5.711 -24.566 -4.052 1.00 32.43 H new ATOM 0 HH11 ARG A 31 -2.451 -25.205 -5.242 1.00 63.21 H new ATOM 0 HH12 ARG A 31 -1.802 -25.531 -3.632 1.00 63.21 H new ATOM 0 HH21 ARG A 31 -4.870 -24.984 -1.986 1.00 33.11 H new ATOM 0 HH22 ARG A 31 -3.165 -25.407 -1.796 1.00 33.11 H new ATOM 488 N ARG A 32 -2.508 -20.310 -8.135 1.00 32.51 N ATOM 489 CA ARG A 32 -1.284 -19.652 -7.697 1.00 25.03 C ATOM 490 C ARG A 32 -1.494 -18.147 -7.561 1.00 12.13 C ATOM 491 O ARG A 32 -0.706 -17.456 -6.916 1.00 2.45 O ATOM 492 CB ARG A 32 -0.148 -19.932 -8.683 1.00 1.21 C ATOM 493 CG ARG A 32 1.184 -20.224 -8.011 1.00 72.32 C ATOM 494 CD ARG A 32 2.295 -20.407 -9.033 1.00 50.22 C ATOM 495 NE ARG A 32 3.601 -20.038 -8.493 1.00 60.44 N ATOM 496 CZ ARG A 32 4.699 -19.934 -9.233 1.00 63.44 C ATOM 497 NH1 ARG A 32 4.649 -20.169 -10.537 1.00 72.53 N ATOM 498 NH2 ARG A 32 5.851 -19.594 -8.669 1.00 61.23 N ATOM 0 H ARG A 32 -2.553 -20.494 -9.137 1.00 32.51 H new ATOM 0 HA ARG A 32 -1.015 -20.054 -6.720 1.00 25.03 H new ATOM 0 HB2 ARG A 32 -0.423 -20.781 -9.309 1.00 1.21 H new ATOM 0 HB3 ARG A 32 -0.031 -19.073 -9.343 1.00 1.21 H new ATOM 0 HG2 ARG A 32 1.439 -19.407 -7.337 1.00 72.32 H new ATOM 0 HG3 ARG A 32 1.096 -21.124 -7.402 1.00 72.32 H new ATOM 0 HD2 ARG A 32 2.319 -21.446 -9.361 1.00 50.22 H new ATOM 0 HD3 ARG A 32 2.082 -19.800 -9.913 1.00 50.22 H new ATOM 0 HE ARG A 32 3.674 -19.850 -7.493 1.00 60.44 H new ATOM 0 HH11 ARG A 32 3.766 -20.430 -10.975 1.00 72.53 H new ATOM 0 HH12 ARG A 32 5.494 -20.088 -11.103 1.00 72.53 H new ATOM 0 HH21 ARG A 32 5.894 -19.412 -7.666 1.00 61.23 H new ATOM 0 HH22 ARG A 32 6.694 -19.514 -9.238 1.00 61.23 H new ATOM 512 N ARG A 33 -2.562 -17.646 -8.173 1.00 71.42 N ATOM 513 CA ARG A 33 -2.875 -16.223 -8.122 1.00 74.41 C ATOM 514 C ARG A 33 -3.608 -15.874 -6.830 1.00 31.20 C ATOM 515 O ARG A 33 -4.243 -14.825 -6.729 1.00 71.31 O ATOM 516 CB ARG A 33 -3.727 -15.823 -9.328 1.00 71.31 C ATOM 517 CG ARG A 33 -3.112 -16.210 -10.663 1.00 74.42 C ATOM 518 CD ARG A 33 -2.242 -15.095 -11.220 1.00 53.53 C ATOM 519 NE ARG A 33 -1.406 -15.553 -12.327 1.00 14.22 N ATOM 520 CZ ARG A 33 -0.267 -14.968 -12.678 1.00 42.32 C ATOM 521 NH1 ARG A 33 0.171 -13.907 -12.013 1.00 75.40 N ATOM 522 NH2 ARG A 33 0.438 -15.444 -13.697 1.00 2.53 N ATOM 0 H ARG A 33 -3.225 -18.205 -8.710 1.00 71.42 H new ATOM 0 HA ARG A 33 -1.937 -15.669 -8.149 1.00 74.41 H new ATOM 0 HB2 ARG A 33 -4.708 -16.290 -9.240 1.00 71.31 H new ATOM 0 HB3 ARG A 33 -3.885 -14.745 -9.309 1.00 71.31 H new ATOM 0 HG2 ARG A 33 -2.514 -17.113 -10.541 1.00 74.42 H new ATOM 0 HG3 ARG A 33 -3.903 -16.445 -11.375 1.00 74.42 H new ATOM 0 HD2 ARG A 33 -2.876 -14.276 -11.560 1.00 53.53 H new ATOM 0 HD3 ARG A 33 -1.608 -14.699 -10.427 1.00 53.53 H new ATOM 0 HE ARG A 33 -1.714 -16.367 -12.859 1.00 14.22 H new ATOM 0 HH11 ARG A 33 -0.368 -13.538 -11.229 1.00 75.40 H new ATOM 0 HH12 ARG A 33 1.046 -13.460 -12.285 1.00 75.40 H new ATOM 0 HH21 ARG A 33 0.105 -16.260 -14.211 1.00 2.53 H new ATOM 0 HH22 ARG A 33 1.313 -14.994 -13.966 1.00 2.53 H new ATOM 536 N ASN A 34 -3.515 -16.761 -5.845 1.00 32.33 N ATOM 537 CA ASN A 34 -4.170 -16.547 -4.559 1.00 70.33 C ATOM 538 C ASN A 34 -5.660 -16.278 -4.746 1.00 31.00 C ATOM 539 O ASN A 34 -6.221 -15.376 -4.125 1.00 5.43 O ATOM 540 CB ASN A 34 -3.518 -15.378 -3.820 1.00 3.45 C ATOM 541 CG ASN A 34 -2.073 -15.658 -3.454 1.00 62.14 C ATOM 542 OD1 ASN A 34 -1.704 -16.796 -3.163 1.00 71.14 O ATOM 543 ND2 ASN A 34 -1.247 -14.618 -3.468 1.00 22.41 N ATOM 0 H ASN A 34 -2.993 -17.635 -5.912 1.00 32.33 H new ATOM 0 HA ASN A 34 -4.054 -17.453 -3.965 1.00 70.33 H new ATOM 0 HB2 ASN A 34 -3.565 -14.486 -4.444 1.00 3.45 H new ATOM 0 HB3 ASN A 34 -4.084 -15.164 -2.914 1.00 3.45 H new ATOM 0 HD21 ASN A 34 -0.263 -14.745 -3.231 1.00 22.41 H new ATOM 0 HD22 ASN A 34 -1.597 -13.692 -3.715 1.00 22.41 H new ATOM 550 N MET A 35 -6.295 -17.068 -5.606 1.00 14.34 N ATOM 551 CA MET A 35 -7.721 -16.916 -5.873 1.00 1.42 C ATOM 552 C MET A 35 -8.486 -18.173 -5.473 1.00 32.01 C ATOM 553 O MET A 35 -9.717 -18.197 -5.495 1.00 14.24 O ATOM 554 CB MET A 35 -7.954 -16.612 -7.354 1.00 14.31 C ATOM 555 CG MET A 35 -9.385 -16.210 -7.674 1.00 11.44 C ATOM 556 SD MET A 35 -9.901 -14.722 -6.795 1.00 33.10 S ATOM 557 CE MET A 35 -10.660 -13.791 -8.123 1.00 54.32 C ATOM 0 H MET A 35 -5.845 -17.819 -6.129 1.00 14.34 H new ATOM 0 HA MET A 35 -8.091 -16.082 -5.276 1.00 1.42 H new ATOM 0 HB2 MET A 35 -7.283 -15.810 -7.662 1.00 14.31 H new ATOM 0 HB3 MET A 35 -7.692 -17.491 -7.943 1.00 14.31 H new ATOM 0 HG2 MET A 35 -9.481 -16.045 -8.747 1.00 11.44 H new ATOM 0 HG3 MET A 35 -10.055 -17.030 -7.417 1.00 11.44 H new ATOM 0 HE1 MET A 35 -10.184 -12.813 -8.200 1.00 54.32 H new ATOM 0 HE2 MET A 35 -10.536 -14.330 -9.062 1.00 54.32 H new ATOM 0 HE3 MET A 35 -11.722 -13.662 -7.916 1.00 54.32 H new ATOM 567 N THR A 36 -7.750 -19.218 -5.108 1.00 3.11 N ATOM 568 CA THR A 36 -8.359 -20.479 -4.705 1.00 20.01 C ATOM 569 C THR A 36 -8.033 -20.808 -3.252 1.00 53.44 C ATOM 570 O THR A 36 -8.166 -21.953 -2.821 1.00 51.44 O ATOM 571 CB THR A 36 -7.889 -21.641 -5.600 1.00 72.30 C ATOM 572 OG1 THR A 36 -6.498 -21.899 -5.378 1.00 73.31 O ATOM 573 CG2 THR A 36 -8.123 -21.322 -7.069 1.00 2.32 C ATOM 0 H THR A 36 -6.730 -19.216 -5.083 1.00 3.11 H new ATOM 0 HA THR A 36 -9.437 -20.358 -4.814 1.00 20.01 H new ATOM 0 HB THR A 36 -8.468 -22.527 -5.341 1.00 72.30 H new ATOM 0 HG1 THR A 36 -6.394 -22.755 -4.913 1.00 73.31 H new ATOM 0 HG21 THR A 36 -7.783 -22.157 -7.681 1.00 2.32 H new ATOM 0 HG22 THR A 36 -9.187 -21.156 -7.240 1.00 2.32 H new ATOM 0 HG23 THR A 36 -7.567 -20.424 -7.339 1.00 2.32 H new ATOM 581 N GLN A 37 -7.607 -19.796 -2.503 1.00 33.01 N ATOM 582 CA GLN A 37 -7.263 -19.979 -1.098 1.00 21.01 C ATOM 583 C GLN A 37 -8.518 -20.117 -0.243 1.00 54.12 C ATOM 584 O GLN A 37 -8.497 -20.750 0.812 1.00 51.24 O ATOM 585 CB GLN A 37 -6.419 -18.804 -0.600 1.00 55.25 C ATOM 586 CG GLN A 37 -4.959 -18.884 -1.015 1.00 72.43 C ATOM 587 CD GLN A 37 -4.022 -18.328 0.038 1.00 23.44 C ATOM 588 OE1 GLN A 37 -4.269 -18.459 1.237 1.00 15.05 O ATOM 589 NE2 GLN A 37 -2.937 -17.704 -0.404 1.00 41.54 N ATOM 0 H GLN A 37 -7.492 -18.842 -2.845 1.00 33.01 H new ATOM 0 HA GLN A 37 -6.683 -20.897 -1.009 1.00 21.01 H new ATOM 0 HB2 GLN A 37 -6.845 -17.875 -0.979 1.00 55.25 H new ATOM 0 HB3 GLN A 37 -6.477 -18.761 0.488 1.00 55.25 H new ATOM 0 HG2 GLN A 37 -4.699 -19.923 -1.215 1.00 72.43 H new ATOM 0 HG3 GLN A 37 -4.819 -18.335 -1.946 1.00 72.43 H new ATOM 0 HE21 GLN A 37 -2.771 -17.618 -1.407 1.00 41.54 H new ATOM 0 HE22 GLN A 37 -2.269 -17.311 0.259 1.00 41.54 H new ATOM 598 N GLY A 38 -9.612 -19.519 -0.706 1.00 73.31 N ATOM 599 CA GLY A 38 -10.862 -19.587 0.029 1.00 41.03 C ATOM 600 C GLY A 38 -11.824 -20.602 -0.556 1.00 53.42 C ATOM 601 O GLY A 38 -12.351 -21.453 0.161 1.00 42.23 O ATOM 0 H GLY A 38 -9.655 -18.989 -1.576 1.00 73.31 H new ATOM 0 HA2 GLY A 38 -10.655 -19.844 1.068 1.00 41.03 H new ATOM 0 HA3 GLY A 38 -11.333 -18.604 0.031 1.00 41.03 H new ATOM 605 N ARG A 39 -12.056 -20.511 -1.862 1.00 10.23 N ATOM 606 CA ARG A 39 -12.964 -21.426 -2.542 1.00 30.51 C ATOM 607 C ARG A 39 -12.467 -21.739 -3.950 1.00 41.13 C ATOM 608 O ARG A 39 -11.492 -21.152 -4.420 1.00 64.24 O ATOM 609 CB ARG A 39 -14.371 -20.829 -2.607 1.00 2.11 C ATOM 610 CG ARG A 39 -14.385 -19.331 -2.862 1.00 1.42 C ATOM 611 CD ARG A 39 -15.803 -18.782 -2.879 1.00 0.30 C ATOM 612 NE ARG A 39 -16.074 -17.929 -1.725 1.00 21.35 N ATOM 613 CZ ARG A 39 -17.292 -17.709 -1.243 1.00 74.23 C ATOM 614 NH1 ARG A 39 -18.346 -18.276 -1.814 1.00 34.43 N ATOM 615 NH2 ARG A 39 -17.458 -16.921 -0.189 1.00 52.20 N ATOM 0 H ARG A 39 -11.627 -19.813 -2.470 1.00 10.23 H new ATOM 0 HA ARG A 39 -12.997 -22.355 -1.972 1.00 30.51 H new ATOM 0 HB2 ARG A 39 -14.933 -21.329 -3.396 1.00 2.11 H new ATOM 0 HB3 ARG A 39 -14.887 -21.034 -1.669 1.00 2.11 H new ATOM 0 HG2 ARG A 39 -13.807 -18.824 -2.090 1.00 1.42 H new ATOM 0 HG3 ARG A 39 -13.900 -19.118 -3.815 1.00 1.42 H new ATOM 0 HD2 ARG A 39 -15.960 -18.213 -3.795 1.00 0.30 H new ATOM 0 HD3 ARG A 39 -16.512 -19.610 -2.892 1.00 0.30 H new ATOM 0 HE ARG A 39 -15.284 -17.477 -1.264 1.00 21.35 H new ATOM 0 HH11 ARG A 39 -18.222 -18.882 -2.625 1.00 34.43 H new ATOM 0 HH12 ARG A 39 -19.281 -18.106 -1.442 1.00 34.43 H new ATOM 0 HH21 ARG A 39 -16.650 -16.483 0.253 1.00 52.20 H new ATOM 0 HH22 ARG A 39 -18.394 -16.753 0.180 1.00 52.20 H new ATOM 629 N CYS A 40 -13.143 -22.667 -4.619 1.00 14.04 N ATOM 630 CA CYS A 40 -12.771 -23.059 -5.972 1.00 60.15 C ATOM 631 C CYS A 40 -13.447 -22.161 -7.004 1.00 74.13 C ATOM 632 O CYS A 40 -14.670 -22.172 -7.147 1.00 72.35 O ATOM 633 CB CYS A 40 -13.149 -24.520 -6.225 1.00 54.22 C ATOM 634 SG CYS A 40 -11.724 -25.649 -6.336 1.00 1.34 S ATOM 0 H CYS A 40 -13.953 -23.162 -4.245 1.00 14.04 H new ATOM 0 HA CYS A 40 -11.691 -22.948 -6.071 1.00 60.15 H new ATOM 0 HB2 CYS A 40 -13.805 -24.858 -5.423 1.00 54.22 H new ATOM 0 HB3 CYS A 40 -13.720 -24.581 -7.151 1.00 54.22 H new ATOM 639 N LYS A 41 -12.643 -21.384 -7.722 1.00 13.12 N ATOM 640 CA LYS A 41 -13.162 -20.480 -8.742 1.00 62.40 C ATOM 641 C LYS A 41 -13.964 -21.246 -9.790 1.00 10.34 C ATOM 642 O LYS A 41 -13.520 -22.261 -10.327 1.00 13.15 O ATOM 643 CB LYS A 41 -12.013 -19.725 -9.415 1.00 74.31 C ATOM 644 CG LYS A 41 -12.401 -18.341 -9.907 1.00 22.44 C ATOM 645 CD LYS A 41 -12.727 -17.410 -8.751 1.00 20.30 C ATOM 646 CE LYS A 41 -13.025 -16.001 -9.238 1.00 54.40 C ATOM 647 NZ LYS A 41 -13.172 -15.043 -8.107 1.00 51.45 N ATOM 0 H LYS A 41 -11.629 -21.362 -7.616 1.00 13.12 H new ATOM 0 HA LYS A 41 -13.824 -19.764 -8.255 1.00 62.40 H new ATOM 0 HB2 LYS A 41 -11.187 -19.632 -8.709 1.00 74.31 H new ATOM 0 HB3 LYS A 41 -11.648 -20.312 -10.258 1.00 74.31 H new ATOM 0 HG2 LYS A 41 -11.585 -17.921 -10.495 1.00 22.44 H new ATOM 0 HG3 LYS A 41 -13.264 -18.418 -10.568 1.00 22.44 H new ATOM 0 HD2 LYS A 41 -13.586 -17.796 -8.203 1.00 20.30 H new ATOM 0 HD3 LYS A 41 -11.889 -17.386 -8.054 1.00 20.30 H new ATOM 0 HE2 LYS A 41 -12.222 -15.667 -9.895 1.00 54.40 H new ATOM 0 HE3 LYS A 41 -13.940 -16.007 -9.830 1.00 54.40 H new ATOM 0 HZ1 LYS A 41 -13.086 -14.070 -8.463 1.00 51.45 H new ATOM 0 HZ2 LYS A 41 -14.105 -15.169 -7.664 1.00 51.45 H new ATOM 0 HZ3 LYS A 41 -12.428 -15.221 -7.403 1.00 51.45 H new ATOM 661 N PRO A 42 -15.173 -20.749 -10.090 1.00 12.34 N ATOM 662 CA PRO A 42 -16.062 -21.369 -11.077 1.00 24.43 C ATOM 663 C PRO A 42 -15.539 -21.221 -12.501 1.00 62.04 C ATOM 664 O PRO A 42 -15.576 -22.167 -13.289 1.00 0.32 O ATOM 665 CB PRO A 42 -17.374 -20.600 -10.906 1.00 30.41 C ATOM 666 CG PRO A 42 -16.969 -19.278 -10.351 1.00 70.34 C ATOM 667 CD PRO A 42 -15.766 -19.542 -9.489 1.00 20.03 C ATOM 0 HA PRO A 42 -16.159 -22.443 -10.920 1.00 24.43 H new ATOM 0 HB2 PRO A 42 -17.894 -20.487 -11.857 1.00 30.41 H new ATOM 0 HB3 PRO A 42 -18.053 -21.121 -10.231 1.00 30.41 H new ATOM 0 HG2 PRO A 42 -16.730 -18.576 -11.150 1.00 70.34 H new ATOM 0 HG3 PRO A 42 -17.777 -18.835 -9.769 1.00 70.34 H new ATOM 0 HD2 PRO A 42 -15.070 -18.703 -9.503 1.00 20.03 H new ATOM 0 HD3 PRO A 42 -16.046 -19.707 -8.449 1.00 20.03 H new ATOM 675 N VAL A 43 -15.051 -20.028 -12.827 1.00 11.02 N ATOM 676 CA VAL A 43 -14.519 -19.756 -14.157 1.00 21.33 C ATOM 677 C VAL A 43 -13.557 -18.574 -14.133 1.00 23.03 C ATOM 678 O VAL A 43 -13.580 -17.761 -13.210 1.00 5.02 O ATOM 679 CB VAL A 43 -15.647 -19.466 -15.164 1.00 52.51 C ATOM 680 CG1 VAL A 43 -15.121 -19.532 -16.590 1.00 2.04 C ATOM 681 CG2 VAL A 43 -16.800 -20.438 -14.967 1.00 15.30 C ATOM 0 H VAL A 43 -15.013 -19.234 -12.188 1.00 11.02 H new ATOM 0 HA VAL A 43 -13.982 -20.651 -14.472 1.00 21.33 H new ATOM 0 HB VAL A 43 -16.018 -18.457 -14.986 1.00 52.51 H new ATOM 0 HG11 VAL A 43 -15.933 -19.324 -17.287 1.00 2.04 H new ATOM 0 HG12 VAL A 43 -14.332 -18.792 -16.721 1.00 2.04 H new ATOM 0 HG13 VAL A 43 -14.721 -20.527 -16.785 1.00 2.04 H new ATOM 0 HG21 VAL A 43 -17.588 -20.218 -15.687 1.00 15.30 H new ATOM 0 HG22 VAL A 43 -16.446 -21.458 -15.117 1.00 15.30 H new ATOM 0 HG23 VAL A 43 -17.194 -20.335 -13.956 1.00 15.30 H new ATOM 691 N ASN A 44 -12.712 -18.485 -15.155 1.00 23.03 N ATOM 692 CA ASN A 44 -11.740 -17.401 -15.251 1.00 75.43 C ATOM 693 C ASN A 44 -11.098 -17.368 -16.635 1.00 33.02 C ATOM 694 O ASN A 44 -11.388 -18.209 -17.487 1.00 3.21 O ATOM 695 CB ASN A 44 -10.660 -17.560 -14.179 1.00 55.41 C ATOM 696 CG ASN A 44 -10.716 -16.460 -13.136 1.00 63.11 C ATOM 697 OD1 ASN A 44 -11.487 -16.535 -12.179 1.00 64.12 O ATOM 698 ND2 ASN A 44 -9.896 -15.431 -13.317 1.00 61.23 N ATOM 0 H ASN A 44 -12.680 -19.150 -15.928 1.00 23.03 H new ATOM 0 HA ASN A 44 -12.265 -16.459 -15.091 1.00 75.43 H new ATOM 0 HB2 ASN A 44 -10.777 -18.527 -13.690 1.00 55.41 H new ATOM 0 HB3 ASN A 44 -9.678 -17.559 -14.653 1.00 55.41 H new ATOM 0 HD21 ASN A 44 -9.889 -14.661 -12.648 1.00 61.23 H new ATOM 0 HD22 ASN A 44 -9.274 -15.411 -14.125 1.00 61.23 H new ATOM 705 N THR A 45 -10.224 -16.391 -16.852 1.00 4.40 N ATOM 706 CA THR A 45 -9.540 -16.247 -18.131 1.00 54.43 C ATOM 707 C THR A 45 -8.236 -15.475 -17.974 1.00 5.41 C ATOM 708 O THR A 45 -8.187 -14.451 -17.291 1.00 65.04 O ATOM 709 CB THR A 45 -10.428 -15.527 -19.164 1.00 70.13 C ATOM 710 OG1 THR A 45 -11.747 -16.085 -19.150 1.00 42.22 O ATOM 711 CG2 THR A 45 -9.837 -15.645 -20.561 1.00 50.10 C ATOM 0 H THR A 45 -9.973 -15.687 -16.158 1.00 4.40 H new ATOM 0 HA THR A 45 -9.322 -17.254 -18.488 1.00 54.43 H new ATOM 0 HB THR A 45 -10.478 -14.472 -18.895 1.00 70.13 H new ATOM 0 HG1 THR A 45 -12.306 -15.621 -19.808 1.00 42.22 H new ATOM 0 HG21 THR A 45 -10.481 -15.129 -21.273 1.00 50.10 H new ATOM 0 HG22 THR A 45 -8.845 -15.194 -20.576 1.00 50.10 H new ATOM 0 HG23 THR A 45 -9.761 -16.697 -20.836 1.00 50.10 H new ATOM 719 N PHE A 46 -7.179 -15.971 -18.610 1.00 15.31 N ATOM 720 CA PHE A 46 -5.873 -15.327 -18.540 1.00 41.10 C ATOM 721 C PHE A 46 -5.562 -14.584 -19.836 1.00 73.54 C ATOM 722 O PHE A 46 -6.357 -14.594 -20.776 1.00 72.34 O ATOM 723 CB PHE A 46 -4.784 -16.365 -18.260 1.00 2.41 C ATOM 724 CG PHE A 46 -4.764 -16.843 -16.836 1.00 61.34 C ATOM 725 CD1 PHE A 46 -4.895 -15.947 -15.788 1.00 44.31 C ATOM 726 CD2 PHE A 46 -4.614 -18.190 -16.547 1.00 2.15 C ATOM 727 CE1 PHE A 46 -4.877 -16.384 -14.477 1.00 10.00 C ATOM 728 CE2 PHE A 46 -4.596 -18.633 -15.238 1.00 1.05 C ATOM 729 CZ PHE A 46 -4.726 -17.729 -14.201 1.00 54.15 C ATOM 0 H PHE A 46 -7.202 -16.817 -19.180 1.00 15.31 H new ATOM 0 HA PHE A 46 -5.895 -14.604 -17.724 1.00 41.10 H new ATOM 0 HB2 PHE A 46 -4.930 -17.220 -18.920 1.00 2.41 H new ATOM 0 HB3 PHE A 46 -3.812 -15.936 -18.505 1.00 2.41 H new ATOM 0 HD1 PHE A 46 -5.013 -14.894 -15.998 1.00 44.31 H new ATOM 0 HD2 PHE A 46 -4.510 -18.901 -17.353 1.00 2.15 H new ATOM 0 HE1 PHE A 46 -4.981 -15.675 -13.669 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -4.480 -19.686 -15.026 1.00 1.05 H new ATOM 0 HZ PHE A 46 -4.710 -18.073 -13.177 1.00 54.15 H new ATOM 739 N VAL A 47 -4.400 -13.940 -19.879 1.00 32.53 N ATOM 740 CA VAL A 47 -3.983 -13.193 -21.059 1.00 11.21 C ATOM 741 C VAL A 47 -2.535 -13.502 -21.422 1.00 1.33 C ATOM 742 O VAL A 47 -1.694 -13.705 -20.546 1.00 22.15 O ATOM 743 CB VAL A 47 -4.135 -11.675 -20.844 1.00 65.12 C ATOM 744 CG1 VAL A 47 -3.757 -10.917 -22.107 1.00 44.34 C ATOM 745 CG2 VAL A 47 -5.554 -11.337 -20.414 1.00 70.32 C ATOM 0 H VAL A 47 -3.731 -13.921 -19.110 1.00 32.53 H new ATOM 0 HA VAL A 47 -4.633 -13.504 -21.877 1.00 11.21 H new ATOM 0 HB VAL A 47 -3.456 -11.369 -20.048 1.00 65.12 H new ATOM 0 HG11 VAL A 47 -3.870 -9.846 -21.937 1.00 44.34 H new ATOM 0 HG12 VAL A 47 -2.721 -11.135 -22.366 1.00 44.34 H new ATOM 0 HG13 VAL A 47 -4.408 -11.225 -22.925 1.00 44.34 H new ATOM 0 HG21 VAL A 47 -5.643 -10.261 -20.267 1.00 70.32 H new ATOM 0 HG22 VAL A 47 -6.254 -11.657 -21.186 1.00 70.32 H new ATOM 0 HG23 VAL A 47 -5.784 -11.851 -19.481 1.00 70.32 H new ATOM 755 N HIS A 48 -2.250 -13.535 -22.720 1.00 1.13 N ATOM 756 CA HIS A 48 -0.902 -13.818 -23.199 1.00 41.03 C ATOM 757 C HIS A 48 -0.287 -12.583 -23.852 1.00 20.42 C ATOM 758 O HIS A 48 0.684 -12.685 -24.600 1.00 64.02 O ATOM 759 CB HIS A 48 -0.925 -14.978 -24.196 1.00 13.53 C ATOM 760 CG HIS A 48 -0.978 -16.325 -23.545 1.00 21.41 C ATOM 761 ND1 HIS A 48 -0.235 -16.653 -22.430 1.00 41.52 N ATOM 762 CD2 HIS A 48 -1.692 -17.432 -23.857 1.00 52.01 C ATOM 763 CE1 HIS A 48 -0.489 -17.902 -22.086 1.00 64.51 C ATOM 764 NE2 HIS A 48 -1.370 -18.398 -22.936 1.00 11.13 N ATOM 0 H HIS A 48 -2.934 -13.369 -23.458 1.00 1.13 H new ATOM 0 HA HIS A 48 -0.290 -14.098 -22.342 1.00 41.03 H new ATOM 0 HB2 HIS A 48 -1.789 -14.866 -24.851 1.00 13.53 H new ATOM 0 HB3 HIS A 48 -0.037 -14.923 -24.826 1.00 13.53 H new ATOM 0 HD1 HIS A 48 0.410 -16.028 -21.947 1.00 41.52 H new ATOM 0 HD2 HIS A 48 -2.386 -17.536 -24.678 1.00 52.01 H new ATOM 0 HE1 HIS A 48 -0.051 -18.429 -21.251 1.00 64.51 H new ATOM 772 N GLU A 49 -0.861 -11.419 -23.563 1.00 25.52 N ATOM 773 CA GLU A 49 -0.369 -10.166 -24.123 1.00 62.44 C ATOM 774 C GLU A 49 -0.061 -9.160 -23.018 1.00 43.15 C ATOM 775 O GLU A 49 -0.499 -9.300 -21.877 1.00 14.24 O ATOM 776 CB GLU A 49 -1.396 -9.578 -25.093 1.00 11.34 C ATOM 777 CG GLU A 49 -1.163 -9.973 -26.541 1.00 22.30 C ATOM 778 CD GLU A 49 0.299 -9.898 -26.938 1.00 73.40 C ATOM 779 OE1 GLU A 49 1.021 -10.896 -26.735 1.00 22.41 O ATOM 780 OE2 GLU A 49 0.720 -8.841 -27.453 1.00 34.15 O ATOM 0 H GLU A 49 -1.666 -11.318 -22.945 1.00 25.52 H new ATOM 0 HA GLU A 49 0.553 -10.376 -24.665 1.00 62.44 H new ATOM 0 HB2 GLU A 49 -2.393 -9.901 -24.793 1.00 11.34 H new ATOM 0 HB3 GLU A 49 -1.376 -8.491 -25.014 1.00 11.34 H new ATOM 0 HG2 GLU A 49 -1.527 -10.988 -26.700 1.00 22.30 H new ATOM 0 HG3 GLU A 49 -1.746 -9.320 -27.190 1.00 22.30 H new ATOM 787 N PRO A 50 0.713 -8.120 -23.365 1.00 31.33 N ATOM 788 CA PRO A 50 1.098 -7.070 -22.417 1.00 54.23 C ATOM 789 C PRO A 50 -0.081 -6.187 -22.021 1.00 3.12 C ATOM 790 O PRO A 50 -1.001 -5.971 -22.810 1.00 52.13 O ATOM 791 CB PRO A 50 2.138 -6.257 -23.192 1.00 71.02 C ATOM 792 CG PRO A 50 1.807 -6.487 -24.626 1.00 71.34 C ATOM 793 CD PRO A 50 1.271 -7.890 -24.708 1.00 1.13 C ATOM 0 HA PRO A 50 1.472 -7.483 -21.480 1.00 54.23 H new ATOM 0 HB2 PRO A 50 2.083 -5.199 -22.938 1.00 71.02 H new ATOM 0 HB3 PRO A 50 3.151 -6.588 -22.962 1.00 71.02 H new ATOM 0 HG2 PRO A 50 1.068 -5.766 -24.976 1.00 71.34 H new ATOM 0 HG3 PRO A 50 2.690 -6.369 -25.254 1.00 71.34 H new ATOM 0 HD2 PRO A 50 0.509 -7.985 -25.482 1.00 1.13 H new ATOM 0 HD3 PRO A 50 2.057 -8.607 -24.945 1.00 1.13 H new ATOM 801 N LEU A 51 -0.046 -5.678 -20.794 1.00 73.41 N ATOM 802 CA LEU A 51 -1.112 -4.817 -20.293 1.00 21.44 C ATOM 803 C LEU A 51 -1.295 -3.598 -21.190 1.00 45.13 C ATOM 804 O LEU A 51 -2.376 -3.369 -21.732 1.00 51.10 O ATOM 805 CB LEU A 51 -0.803 -4.371 -18.863 1.00 10.34 C ATOM 806 CG LEU A 51 -1.859 -3.492 -18.191 1.00 42.42 C ATOM 807 CD1 LEU A 51 -3.091 -4.311 -17.840 1.00 23.13 C ATOM 808 CD2 LEU A 51 -1.286 -2.826 -16.948 1.00 54.23 C ATOM 0 H LEU A 51 0.708 -5.846 -20.128 1.00 73.41 H new ATOM 0 HA LEU A 51 -2.040 -5.389 -20.297 1.00 21.44 H new ATOM 0 HB2 LEU A 51 -0.656 -5.260 -18.250 1.00 10.34 H new ATOM 0 HB3 LEU A 51 0.142 -3.828 -18.869 1.00 10.34 H new ATOM 0 HG LEU A 51 -2.155 -2.712 -18.893 1.00 42.42 H new ATOM 0 HD11 LEU A 51 -3.831 -3.669 -17.363 1.00 23.13 H new ATOM 0 HD12 LEU A 51 -3.514 -4.739 -18.749 1.00 23.13 H new ATOM 0 HD13 LEU A 51 -2.812 -5.113 -17.157 1.00 23.13 H new ATOM 0 HD21 LEU A 51 -2.051 -2.204 -16.483 1.00 54.23 H new ATOM 0 HD22 LEU A 51 -0.961 -3.591 -16.242 1.00 54.23 H new ATOM 0 HD23 LEU A 51 -0.435 -2.205 -17.227 1.00 54.23 H new ATOM 820 N VAL A 52 -0.229 -2.819 -21.345 1.00 42.43 N ATOM 821 CA VAL A 52 -0.270 -1.624 -22.180 1.00 52.01 C ATOM 822 C VAL A 52 -1.196 -1.821 -23.375 1.00 43.35 C ATOM 823 O VAL A 52 -1.925 -0.909 -23.766 1.00 45.50 O ATOM 824 CB VAL A 52 1.134 -1.246 -22.689 1.00 13.34 C ATOM 825 CG1 VAL A 52 1.582 -2.204 -23.781 1.00 24.40 C ATOM 826 CG2 VAL A 52 1.149 0.191 -23.189 1.00 24.20 C ATOM 0 H VAL A 52 0.674 -2.994 -20.903 1.00 42.43 H new ATOM 0 HA VAL A 52 -0.652 -0.815 -21.557 1.00 52.01 H new ATOM 0 HB VAL A 52 1.837 -1.326 -21.859 1.00 13.34 H new ATOM 0 HG11 VAL A 52 2.576 -1.921 -24.128 1.00 24.40 H new ATOM 0 HG12 VAL A 52 1.611 -3.219 -23.385 1.00 24.40 H new ATOM 0 HG13 VAL A 52 0.881 -2.160 -24.614 1.00 24.40 H new ATOM 0 HG21 VAL A 52 2.148 0.442 -23.545 1.00 24.20 H new ATOM 0 HG22 VAL A 52 0.435 0.300 -24.005 1.00 24.20 H new ATOM 0 HG23 VAL A 52 0.875 0.862 -22.375 1.00 24.20 H new ATOM 836 N ASP A 53 -1.162 -3.017 -23.952 1.00 40.11 N ATOM 837 CA ASP A 53 -1.999 -3.335 -25.103 1.00 14.11 C ATOM 838 C ASP A 53 -3.478 -3.214 -24.749 1.00 12.31 C ATOM 839 O ASP A 53 -4.249 -2.574 -25.465 1.00 65.34 O ATOM 840 CB ASP A 53 -1.697 -4.747 -25.606 1.00 63.21 C ATOM 841 CG ASP A 53 -2.199 -4.979 -27.017 1.00 75.04 C ATOM 842 OD1 ASP A 53 -2.574 -3.991 -27.684 1.00 60.30 O ATOM 843 OD2 ASP A 53 -2.218 -6.148 -27.456 1.00 24.02 O ATOM 0 H ASP A 53 -0.564 -3.783 -23.641 1.00 40.11 H new ATOM 0 HA ASP A 53 -1.773 -2.620 -25.894 1.00 14.11 H new ATOM 0 HB2 ASP A 53 -0.621 -4.919 -25.574 1.00 63.21 H new ATOM 0 HB3 ASP A 53 -2.156 -5.474 -24.936 1.00 63.21 H new ATOM 848 N VAL A 54 -3.869 -3.833 -23.639 1.00 63.04 N ATOM 849 CA VAL A 54 -5.255 -3.795 -23.190 1.00 12.31 C ATOM 850 C VAL A 54 -5.683 -2.372 -22.847 1.00 24.10 C ATOM 851 O VAL A 54 -6.845 -2.005 -23.017 1.00 30.54 O ATOM 852 CB VAL A 54 -5.471 -4.695 -21.959 1.00 12.21 C ATOM 853 CG1 VAL A 54 -6.868 -4.496 -21.391 1.00 31.44 C ATOM 854 CG2 VAL A 54 -5.235 -6.154 -22.318 1.00 52.03 C ATOM 0 H VAL A 54 -3.245 -4.367 -23.034 1.00 63.04 H new ATOM 0 HA VAL A 54 -5.865 -4.166 -24.014 1.00 12.31 H new ATOM 0 HB VAL A 54 -4.750 -4.412 -21.192 1.00 12.21 H new ATOM 0 HG11 VAL A 54 -7.003 -5.140 -20.522 1.00 31.44 H new ATOM 0 HG12 VAL A 54 -6.995 -3.455 -21.094 1.00 31.44 H new ATOM 0 HG13 VAL A 54 -7.609 -4.750 -22.149 1.00 31.44 H new ATOM 0 HG21 VAL A 54 -5.392 -6.776 -21.436 1.00 52.03 H new ATOM 0 HG22 VAL A 54 -5.931 -6.453 -23.102 1.00 52.03 H new ATOM 0 HG23 VAL A 54 -4.212 -6.280 -22.674 1.00 52.03 H new ATOM 864 N GLN A 55 -4.735 -1.575 -22.364 1.00 65.34 N ATOM 865 CA GLN A 55 -5.014 -0.192 -21.997 1.00 44.05 C ATOM 866 C GLN A 55 -5.478 0.610 -23.209 1.00 63.52 C ATOM 867 O GLN A 55 -6.455 1.353 -23.136 1.00 75.54 O ATOM 868 CB GLN A 55 -3.770 0.457 -21.388 1.00 21.02 C ATOM 869 CG GLN A 55 -3.180 -0.329 -20.228 1.00 13.23 C ATOM 870 CD GLN A 55 -2.160 0.470 -19.440 1.00 75.12 C ATOM 871 OE1 GLN A 55 -1.802 1.585 -19.819 1.00 2.42 O ATOM 872 NE2 GLN A 55 -1.687 -0.098 -18.337 1.00 52.11 N ATOM 0 H GLN A 55 -3.768 -1.863 -22.218 1.00 65.34 H new ATOM 0 HA GLN A 55 -5.814 -0.194 -21.257 1.00 44.05 H new ATOM 0 HB2 GLN A 55 -3.012 0.569 -22.163 1.00 21.02 H new ATOM 0 HB3 GLN A 55 -4.025 1.460 -21.045 1.00 21.02 H new ATOM 0 HG2 GLN A 55 -3.983 -0.643 -19.561 1.00 13.23 H new ATOM 0 HG3 GLN A 55 -2.710 -1.235 -20.610 1.00 13.23 H new ATOM 0 HE21 GLN A 55 -2.012 -1.024 -18.061 1.00 52.11 H new ATOM 0 HE22 GLN A 55 -0.998 0.392 -17.766 1.00 52.11 H new ATOM 881 N ASN A 56 -4.769 0.453 -24.323 1.00 1.54 N ATOM 882 CA ASN A 56 -5.108 1.164 -25.550 1.00 61.34 C ATOM 883 C ASN A 56 -6.571 0.942 -25.921 1.00 33.03 C ATOM 884 O ASN A 56 -7.186 1.771 -26.592 1.00 44.11 O ATOM 885 CB ASN A 56 -4.205 0.703 -26.696 1.00 42.55 C ATOM 886 CG ASN A 56 -2.844 1.371 -26.664 1.00 3.41 C ATOM 887 OD1 ASN A 56 -2.710 2.549 -26.998 1.00 25.23 O ATOM 888 ND2 ASN A 56 -1.826 0.620 -26.261 1.00 4.12 N ATOM 0 H ASN A 56 -3.957 -0.160 -24.401 1.00 1.54 H new ATOM 0 HA ASN A 56 -4.953 2.229 -25.378 1.00 61.34 H new ATOM 0 HB2 ASN A 56 -4.077 -0.378 -26.642 1.00 42.55 H new ATOM 0 HB3 ASN A 56 -4.691 0.920 -27.647 1.00 42.55 H new ATOM 0 HD21 ASN A 56 -0.886 1.015 -26.219 1.00 4.12 H new ATOM 0 HD22 ASN A 56 -1.984 -0.352 -25.994 1.00 4.12 H new ATOM 895 N VAL A 57 -7.124 -0.183 -25.478 1.00 13.33 N ATOM 896 CA VAL A 57 -8.516 -0.514 -25.761 1.00 2.43 C ATOM 897 C VAL A 57 -9.458 0.539 -25.187 1.00 73.52 C ATOM 898 O VAL A 57 -10.396 0.977 -25.854 1.00 12.32 O ATOM 899 CB VAL A 57 -8.893 -1.892 -25.187 1.00 22.33 C ATOM 900 CG1 VAL A 57 -10.362 -2.193 -25.441 1.00 60.10 C ATOM 901 CG2 VAL A 57 -8.007 -2.977 -25.782 1.00 13.24 C ATOM 0 H VAL A 57 -6.629 -0.880 -24.922 1.00 13.33 H new ATOM 0 HA VAL A 57 -8.622 -0.540 -26.846 1.00 2.43 H new ATOM 0 HB VAL A 57 -8.732 -1.874 -24.109 1.00 22.33 H new ATOM 0 HG11 VAL A 57 -10.610 -3.171 -25.028 1.00 60.10 H new ATOM 0 HG12 VAL A 57 -10.977 -1.431 -24.963 1.00 60.10 H new ATOM 0 HG13 VAL A 57 -10.553 -2.193 -26.514 1.00 60.10 H new ATOM 0 HG21 VAL A 57 -8.287 -3.945 -25.365 1.00 13.24 H new ATOM 0 HG22 VAL A 57 -8.134 -2.998 -26.864 1.00 13.24 H new ATOM 0 HG23 VAL A 57 -6.964 -2.767 -25.543 1.00 13.24 H new ATOM 911 N CYS A 58 -9.203 0.940 -23.947 1.00 11.34 N ATOM 912 CA CYS A 58 -10.028 1.942 -23.282 1.00 30.55 C ATOM 913 C CYS A 58 -10.099 3.223 -24.106 1.00 44.45 C ATOM 914 O CYS A 58 -11.004 4.039 -23.930 1.00 70.14 O ATOM 915 CB CYS A 58 -9.472 2.248 -21.889 1.00 71.25 C ATOM 916 SG CYS A 58 -10.747 2.405 -20.598 1.00 20.53 S ATOM 0 H CYS A 58 -8.431 0.587 -23.381 1.00 11.34 H new ATOM 0 HA CYS A 58 -11.036 1.539 -23.183 1.00 30.55 H new ATOM 0 HB2 CYS A 58 -8.778 1.457 -21.605 1.00 71.25 H new ATOM 0 HB3 CYS A 58 -8.899 3.174 -21.934 1.00 71.25 H new ATOM 921 N PHE A 59 -9.137 3.394 -25.008 1.00 1.14 N ATOM 922 CA PHE A 59 -9.089 4.577 -25.860 1.00 22.53 C ATOM 923 C PHE A 59 -9.479 4.230 -27.294 1.00 21.24 C ATOM 924 O PHE A 59 -9.665 5.115 -28.128 1.00 2.21 O ATOM 925 CB PHE A 59 -7.688 5.193 -25.835 1.00 34.51 C ATOM 926 CG PHE A 59 -7.070 5.220 -24.467 1.00 23.34 C ATOM 927 CD1 PHE A 59 -7.724 5.829 -23.408 1.00 20.00 C ATOM 928 CD2 PHE A 59 -5.834 4.636 -24.239 1.00 31.32 C ATOM 929 CE1 PHE A 59 -7.156 5.856 -22.148 1.00 53.01 C ATOM 930 CE2 PHE A 59 -5.262 4.659 -22.981 1.00 3.22 C ATOM 931 CZ PHE A 59 -5.924 5.269 -21.934 1.00 13.40 C ATOM 0 H PHE A 59 -8.381 2.728 -25.168 1.00 1.14 H new ATOM 0 HA PHE A 59 -9.804 5.303 -25.473 1.00 22.53 H new ATOM 0 HB2 PHE A 59 -7.040 4.630 -26.507 1.00 34.51 H new ATOM 0 HB3 PHE A 59 -7.740 6.211 -26.222 1.00 34.51 H new ATOM 0 HD1 PHE A 59 -8.688 6.288 -23.569 1.00 20.00 H new ATOM 0 HD2 PHE A 59 -5.312 4.157 -25.054 1.00 31.32 H new ATOM 0 HE1 PHE A 59 -7.675 6.336 -21.331 1.00 53.01 H new ATOM 0 HE2 PHE A 59 -4.298 4.200 -22.817 1.00 3.22 H new ATOM 0 HZ PHE A 59 -5.480 5.287 -20.950 1.00 13.40 H new ATOM 941 N GLN A 60 -9.600 2.936 -27.571 1.00 60.40 N ATOM 942 CA GLN A 60 -9.967 2.472 -28.904 1.00 25.31 C ATOM 943 C GLN A 60 -11.481 2.480 -29.086 1.00 43.40 C ATOM 944 O GLN A 60 -12.005 3.168 -29.961 1.00 74.45 O ATOM 945 CB GLN A 60 -9.420 1.063 -29.145 1.00 11.41 C ATOM 946 CG GLN A 60 -7.929 1.032 -29.440 1.00 72.42 C ATOM 947 CD GLN A 60 -7.627 0.665 -30.880 1.00 31.22 C ATOM 948 OE1 GLN A 60 -7.988 1.391 -31.806 1.00 42.14 O ATOM 949 NE2 GLN A 60 -6.962 -0.468 -31.075 1.00 45.52 N ATOM 0 H GLN A 60 -9.449 2.191 -26.891 1.00 60.40 H new ATOM 0 HA GLN A 60 -9.528 3.154 -29.632 1.00 25.31 H new ATOM 0 HB2 GLN A 60 -9.621 0.449 -28.267 1.00 11.41 H new ATOM 0 HB3 GLN A 60 -9.957 0.612 -29.980 1.00 11.41 H new ATOM 0 HG2 GLN A 60 -7.498 2.009 -29.220 1.00 72.42 H new ATOM 0 HG3 GLN A 60 -7.446 0.314 -28.777 1.00 72.42 H new ATOM 0 HE21 GLN A 60 -6.682 -1.039 -30.277 1.00 45.52 H new ATOM 0 HE22 GLN A 60 -6.731 -0.767 -32.022 1.00 45.52 H new ATOM 958 N GLU A 61 -12.176 1.712 -28.254 1.00 15.25 N ATOM 959 CA GLU A 61 -13.631 1.631 -28.325 1.00 3.42 C ATOM 960 C GLU A 61 -14.243 1.602 -26.927 1.00 71.24 C ATOM 961 O GLU A 61 -13.530 1.608 -25.924 1.00 2.21 O ATOM 962 CB GLU A 61 -14.057 0.387 -29.107 1.00 2.03 C ATOM 963 CG GLU A 61 -15.474 0.465 -29.650 1.00 22.14 C ATOM 964 CD GLU A 61 -15.919 1.890 -29.917 1.00 23.34 C ATOM 965 OE1 GLU A 61 -15.401 2.504 -30.873 1.00 13.25 O ATOM 966 OE2 GLU A 61 -16.785 2.390 -29.169 1.00 31.01 O ATOM 0 H GLU A 61 -11.756 1.137 -27.523 1.00 15.25 H new ATOM 0 HA GLU A 61 -13.994 2.519 -28.843 1.00 3.42 H new ATOM 0 HB2 GLU A 61 -13.367 0.236 -29.937 1.00 2.03 H new ATOM 0 HB3 GLU A 61 -13.973 -0.486 -28.459 1.00 2.03 H new ATOM 0 HG2 GLU A 61 -15.537 -0.110 -30.574 1.00 22.14 H new ATOM 0 HG3 GLU A 61 -16.158 0.002 -28.938 1.00 22.14 H new ATOM 973 N LYS A 62 -15.570 1.570 -26.870 1.00 52.11 N ATOM 974 CA LYS A 62 -16.281 1.539 -25.597 1.00 40.14 C ATOM 975 C LYS A 62 -17.505 0.632 -25.680 1.00 2.34 C ATOM 976 O LYS A 62 -18.005 0.345 -26.767 1.00 63.42 O ATOM 977 CB LYS A 62 -16.707 2.952 -25.193 1.00 5.32 C ATOM 978 CG LYS A 62 -18.061 3.361 -25.745 1.00 12.12 C ATOM 979 CD LYS A 62 -19.101 3.477 -24.642 1.00 45.45 C ATOM 980 CE LYS A 62 -20.401 2.789 -25.028 1.00 20.13 C ATOM 981 NZ LYS A 62 -21.592 3.573 -24.599 1.00 40.52 N ATOM 0 H LYS A 62 -16.175 1.565 -27.691 1.00 52.11 H new ATOM 0 HA LYS A 62 -15.605 1.140 -24.841 1.00 40.14 H new ATOM 0 HB2 LYS A 62 -16.733 3.017 -24.105 1.00 5.32 H new ATOM 0 HB3 LYS A 62 -15.955 3.661 -25.537 1.00 5.32 H new ATOM 0 HG2 LYS A 62 -17.970 4.316 -26.263 1.00 12.12 H new ATOM 0 HG3 LYS A 62 -18.391 2.629 -26.482 1.00 12.12 H new ATOM 0 HD2 LYS A 62 -18.712 3.034 -23.725 1.00 45.45 H new ATOM 0 HD3 LYS A 62 -19.293 4.529 -24.431 1.00 45.45 H new ATOM 0 HE2 LYS A 62 -20.430 2.647 -26.108 1.00 20.13 H new ATOM 0 HE3 LYS A 62 -20.436 1.798 -24.575 1.00 20.13 H new ATOM 0 HZ1 LYS A 62 -22.458 3.071 -24.880 1.00 40.52 H new ATOM 0 HZ2 LYS A 62 -21.578 3.687 -23.565 1.00 40.52 H new ATOM 0 HZ3 LYS A 62 -21.572 4.509 -25.051 1.00 40.52 H new ATOM 995 N VAL A 63 -17.984 0.186 -24.523 1.00 23.32 N ATOM 996 CA VAL A 63 -19.151 -0.686 -24.464 1.00 63.42 C ATOM 997 C VAL A 63 -20.043 -0.332 -23.280 1.00 3.13 C ATOM 998 O VAL A 63 -19.666 0.466 -22.421 1.00 11.41 O ATOM 999 CB VAL A 63 -18.740 -2.167 -24.358 1.00 70.25 C ATOM 1000 CG1 VAL A 63 -17.687 -2.505 -25.403 1.00 74.40 C ATOM 1001 CG2 VAL A 63 -18.234 -2.481 -22.959 1.00 1.44 C ATOM 0 H VAL A 63 -17.582 0.414 -23.614 1.00 23.32 H new ATOM 0 HA VAL A 63 -19.705 -0.535 -25.390 1.00 63.42 H new ATOM 0 HB VAL A 63 -19.618 -2.784 -24.549 1.00 70.25 H new ATOM 0 HG11 VAL A 63 -17.409 -3.555 -25.313 1.00 74.40 H new ATOM 0 HG12 VAL A 63 -18.090 -2.321 -26.399 1.00 74.40 H new ATOM 0 HG13 VAL A 63 -16.806 -1.882 -25.247 1.00 74.40 H new ATOM 0 HG21 VAL A 63 -17.948 -3.531 -22.903 1.00 1.44 H new ATOM 0 HG22 VAL A 63 -17.368 -1.857 -22.737 1.00 1.44 H new ATOM 0 HG23 VAL A 63 -19.022 -2.280 -22.233 1.00 1.44 H new ATOM 1011 N THR A 64 -21.229 -0.931 -23.239 1.00 23.33 N ATOM 1012 CA THR A 64 -22.176 -0.679 -22.160 1.00 44.10 C ATOM 1013 C THR A 64 -22.026 -1.708 -21.045 1.00 42.50 C ATOM 1014 O THR A 64 -21.464 -2.784 -21.250 1.00 44.35 O ATOM 1015 CB THR A 64 -23.629 -0.701 -22.671 1.00 45.23 C ATOM 1016 OG1 THR A 64 -23.653 -0.487 -24.087 1.00 61.20 O ATOM 1017 CG2 THR A 64 -24.462 0.366 -21.978 1.00 13.10 C ATOM 0 H THR A 64 -21.557 -1.594 -23.941 1.00 23.33 H new ATOM 0 HA THR A 64 -21.951 0.313 -21.768 1.00 44.10 H new ATOM 0 HB THR A 64 -24.056 -1.678 -22.444 1.00 45.23 H new ATOM 0 HG1 THR A 64 -24.580 -0.504 -24.405 1.00 61.20 H new ATOM 0 HG21 THR A 64 -25.484 0.331 -22.355 1.00 13.10 H new ATOM 0 HG22 THR A 64 -24.465 0.184 -20.903 1.00 13.10 H new ATOM 0 HG23 THR A 64 -24.034 1.348 -22.178 1.00 13.10 H new ATOM 1025 N CYS A 65 -22.533 -1.371 -19.864 1.00 4.23 N ATOM 1026 CA CYS A 65 -22.456 -2.265 -18.715 1.00 62.20 C ATOM 1027 C CYS A 65 -23.771 -2.270 -17.941 1.00 22.42 C ATOM 1028 O CYS A 65 -24.686 -1.504 -18.243 1.00 63.03 O ATOM 1029 CB CYS A 65 -21.310 -1.847 -17.792 1.00 45.22 C ATOM 1030 SG CYS A 65 -19.761 -2.766 -18.066 1.00 42.04 S ATOM 0 H CYS A 65 -23.002 -0.485 -19.678 1.00 4.23 H new ATOM 0 HA CYS A 65 -22.267 -3.273 -19.083 1.00 62.20 H new ATOM 0 HB2 CYS A 65 -21.118 -0.783 -17.929 1.00 45.22 H new ATOM 0 HB3 CYS A 65 -21.623 -1.984 -16.757 1.00 45.22 H new ATOM 1035 N LYS A 66 -23.858 -3.140 -16.940 1.00 0.33 N ATOM 1036 CA LYS A 66 -25.059 -3.245 -16.120 1.00 30.22 C ATOM 1037 C LYS A 66 -25.712 -1.879 -15.933 1.00 73.54 C ATOM 1038 O LYS A 66 -26.829 -1.647 -16.395 1.00 24.11 O ATOM 1039 CB LYS A 66 -24.719 -3.850 -14.756 1.00 22.02 C ATOM 1040 CG LYS A 66 -25.536 -5.085 -14.417 1.00 10.30 C ATOM 1041 CD LYS A 66 -25.719 -5.238 -12.916 1.00 41.23 C ATOM 1042 CE LYS A 66 -26.540 -6.473 -12.578 1.00 41.30 C ATOM 1043 NZ LYS A 66 -27.896 -6.117 -12.076 1.00 2.14 N ATOM 0 H LYS A 66 -23.111 -3.783 -16.677 1.00 0.33 H new ATOM 0 HA LYS A 66 -25.764 -3.898 -16.635 1.00 30.22 H new ATOM 0 HB2 LYS A 66 -23.660 -4.109 -14.736 1.00 22.02 H new ATOM 0 HB3 LYS A 66 -24.878 -3.097 -13.984 1.00 22.02 H new ATOM 0 HG2 LYS A 66 -26.512 -5.020 -14.899 1.00 10.30 H new ATOM 0 HG3 LYS A 66 -25.041 -5.970 -14.816 1.00 10.30 H new ATOM 0 HD2 LYS A 66 -24.743 -5.305 -12.434 1.00 41.23 H new ATOM 0 HD3 LYS A 66 -26.212 -4.352 -12.516 1.00 41.23 H new ATOM 0 HE2 LYS A 66 -26.634 -7.100 -13.464 1.00 41.30 H new ATOM 0 HE3 LYS A 66 -26.017 -7.062 -11.825 1.00 41.30 H new ATOM 0 HZ1 LYS A 66 -28.424 -6.986 -11.857 1.00 2.14 H new ATOM 0 HZ2 LYS A 66 -27.807 -5.539 -11.216 1.00 2.14 H new ATOM 0 HZ3 LYS A 66 -28.405 -5.577 -12.804 1.00 2.14 H new ATOM 1057 N ASN A 67 -25.008 -0.979 -15.255 1.00 61.22 N ATOM 1058 CA ASN A 67 -25.520 0.364 -15.009 1.00 3.10 C ATOM 1059 C ASN A 67 -25.995 1.011 -16.306 1.00 52.22 C ATOM 1060 O ASN A 67 -26.968 1.765 -16.316 1.00 62.52 O ATOM 1061 CB ASN A 67 -24.441 1.232 -14.359 1.00 4.14 C ATOM 1062 CG ASN A 67 -23.047 0.879 -14.840 1.00 24.01 C ATOM 1063 OD1 ASN A 67 -22.612 -0.267 -14.730 1.00 24.44 O ATOM 1064 ND2 ASN A 67 -22.339 1.866 -15.377 1.00 63.32 N ATOM 0 H ASN A 67 -24.082 -1.155 -14.866 1.00 61.22 H new ATOM 0 HA ASN A 67 -26.370 0.283 -14.331 1.00 3.10 H new ATOM 0 HB2 ASN A 67 -24.643 2.281 -14.577 1.00 4.14 H new ATOM 0 HB3 ASN A 67 -24.489 1.116 -13.276 1.00 4.14 H new ATOM 0 HD21 ASN A 67 -21.394 1.689 -15.718 1.00 63.32 H new ATOM 0 HD22 ASN A 67 -22.740 2.801 -15.448 1.00 63.32 H new ATOM 1071 N GLY A 68 -25.302 0.711 -17.400 1.00 63.22 N ATOM 1072 CA GLY A 68 -25.668 1.271 -18.688 1.00 20.12 C ATOM 1073 C GLY A 68 -24.775 2.427 -19.092 1.00 40.14 C ATOM 1074 O GLY A 68 -25.224 3.366 -19.749 1.00 75.43 O ATOM 0 H GLY A 68 -24.493 0.090 -17.417 1.00 63.22 H new ATOM 0 HA2 GLY A 68 -25.614 0.492 -19.448 1.00 20.12 H new ATOM 0 HA3 GLY A 68 -26.703 1.611 -18.652 1.00 20.12 H new ATOM 1078 N GLN A 69 -23.508 2.360 -18.698 1.00 24.01 N ATOM 1079 CA GLN A 69 -22.551 3.411 -19.022 1.00 5.20 C ATOM 1080 C GLN A 69 -21.333 2.837 -19.739 1.00 73.14 C ATOM 1081 O GLN A 69 -21.228 1.627 -19.933 1.00 31.41 O ATOM 1082 CB GLN A 69 -22.111 4.140 -17.751 1.00 33.23 C ATOM 1083 CG GLN A 69 -23.163 5.089 -17.199 1.00 41.04 C ATOM 1084 CD GLN A 69 -23.537 6.180 -18.183 1.00 12.31 C ATOM 1085 OE1 GLN A 69 -22.755 7.096 -18.440 1.00 24.43 O ATOM 1086 NE2 GLN A 69 -24.739 6.089 -18.740 1.00 32.13 N ATOM 0 H GLN A 69 -23.120 1.589 -18.154 1.00 24.01 H new ATOM 0 HA GLN A 69 -23.042 4.120 -19.688 1.00 5.20 H new ATOM 0 HB2 GLN A 69 -21.862 3.403 -16.987 1.00 33.23 H new ATOM 0 HB3 GLN A 69 -21.201 4.702 -17.961 1.00 33.23 H new ATOM 0 HG2 GLN A 69 -24.055 4.522 -16.934 1.00 41.04 H new ATOM 0 HG3 GLN A 69 -22.791 5.544 -16.281 1.00 41.04 H new ATOM 0 HE21 GLN A 69 -25.356 5.313 -18.499 1.00 32.13 H new ATOM 0 HE22 GLN A 69 -25.046 6.795 -19.409 1.00 32.13 H new ATOM 1095 N GLY A 70 -20.415 3.715 -20.132 1.00 72.25 N ATOM 1096 CA GLY A 70 -19.218 3.276 -20.825 1.00 23.12 C ATOM 1097 C GLY A 70 -18.107 2.885 -19.871 1.00 22.35 C ATOM 1098 O GLY A 70 -16.948 3.244 -20.076 1.00 32.22 O ATOM 0 H GLY A 70 -20.479 4.722 -19.983 1.00 72.25 H new ATOM 0 HA2 GLY A 70 -19.462 2.426 -21.462 1.00 23.12 H new ATOM 0 HA3 GLY A 70 -18.867 4.074 -21.479 1.00 23.12 H new ATOM 1102 N ASN A 71 -18.461 2.148 -18.823 1.00 20.42 N ATOM 1103 CA ASN A 71 -17.485 1.709 -17.832 1.00 11.34 C ATOM 1104 C ASN A 71 -16.673 0.528 -18.353 1.00 44.15 C ATOM 1105 O ASN A 71 -15.653 0.156 -17.772 1.00 11.24 O ATOM 1106 CB ASN A 71 -18.188 1.323 -16.529 1.00 14.11 C ATOM 1107 CG ASN A 71 -17.210 1.030 -15.408 1.00 44.32 C ATOM 1108 OD1 ASN A 71 -17.035 1.837 -14.495 1.00 34.03 O ATOM 1109 ND2 ASN A 71 -16.565 -0.129 -15.474 1.00 1.22 N ATOM 0 H ASN A 71 -19.416 1.842 -18.638 1.00 20.42 H new ATOM 0 HA ASN A 71 -16.804 2.538 -17.638 1.00 11.34 H new ATOM 0 HB2 ASN A 71 -18.853 2.131 -16.225 1.00 14.11 H new ATOM 0 HB3 ASN A 71 -18.811 0.446 -16.702 1.00 14.11 H new ATOM 0 HD21 ASN A 71 -15.893 -0.381 -14.749 1.00 1.22 H new ATOM 0 HD22 ASN A 71 -16.742 -0.768 -16.250 1.00 1.22 H new ATOM 1116 N CYS A 72 -17.131 -0.058 -19.455 1.00 3.43 N ATOM 1117 CA CYS A 72 -16.448 -1.196 -20.056 1.00 62.45 C ATOM 1118 C CYS A 72 -16.064 -0.898 -21.503 1.00 74.42 C ATOM 1119 O CYS A 72 -16.648 -0.023 -22.143 1.00 61.45 O ATOM 1120 CB CYS A 72 -17.337 -2.440 -19.999 1.00 12.22 C ATOM 1121 SG CYS A 72 -19.119 -2.075 -19.902 1.00 34.33 S ATOM 0 H CYS A 72 -17.973 0.237 -19.949 1.00 3.43 H new ATOM 0 HA CYS A 72 -15.537 -1.382 -19.487 1.00 62.45 H new ATOM 0 HB2 CYS A 72 -17.149 -3.049 -20.883 1.00 12.22 H new ATOM 0 HB3 CYS A 72 -17.052 -3.038 -19.134 1.00 12.22 H new ATOM 1126 N TYR A 73 -15.081 -1.632 -22.012 1.00 4.15 N ATOM 1127 CA TYR A 73 -14.617 -1.445 -23.381 1.00 74.34 C ATOM 1128 C TYR A 73 -14.142 -2.765 -23.980 1.00 62.43 C ATOM 1129 O TYR A 73 -13.802 -3.703 -23.258 1.00 10.43 O ATOM 1130 CB TYR A 73 -13.486 -0.416 -23.424 1.00 33.42 C ATOM 1131 CG TYR A 73 -13.638 0.692 -22.407 1.00 41.41 C ATOM 1132 CD1 TYR A 73 -13.436 0.453 -21.053 1.00 51.15 C ATOM 1133 CD2 TYR A 73 -13.982 1.980 -22.801 1.00 30.15 C ATOM 1134 CE1 TYR A 73 -13.574 1.463 -20.121 1.00 54.12 C ATOM 1135 CE2 TYR A 73 -14.121 2.996 -21.875 1.00 40.43 C ATOM 1136 CZ TYR A 73 -13.917 2.733 -20.537 1.00 23.10 C ATOM 1137 OH TYR A 73 -14.054 3.742 -19.612 1.00 1.05 O ATOM 0 H TYR A 73 -14.590 -2.362 -21.497 1.00 4.15 H new ATOM 0 HA TYR A 73 -15.455 -1.078 -23.974 1.00 74.34 H new ATOM 0 HB2 TYR A 73 -12.537 -0.925 -23.256 1.00 33.42 H new ATOM 0 HB3 TYR A 73 -13.441 0.021 -24.421 1.00 33.42 H new ATOM 0 HD1 TYR A 73 -13.166 -0.540 -20.724 1.00 51.15 H new ATOM 0 HD2 TYR A 73 -14.143 2.190 -23.848 1.00 30.15 H new ATOM 0 HE1 TYR A 73 -13.414 1.260 -19.072 1.00 54.12 H new ATOM 0 HE2 TYR A 73 -14.388 3.991 -22.198 1.00 40.43 H new ATOM 0 HH TYR A 73 -13.173 3.978 -19.253 1.00 1.05 H new ATOM 1147 N LYS A 74 -14.120 -2.832 -25.307 1.00 41.42 N ATOM 1148 CA LYS A 74 -13.685 -4.035 -26.007 1.00 2.44 C ATOM 1149 C LYS A 74 -12.481 -3.742 -26.896 1.00 4.51 C ATOM 1150 O LYS A 74 -12.452 -2.737 -27.607 1.00 71.21 O ATOM 1151 CB LYS A 74 -14.829 -4.601 -26.850 1.00 72.11 C ATOM 1152 CG LYS A 74 -15.930 -5.247 -26.026 1.00 62.14 C ATOM 1153 CD LYS A 74 -17.026 -5.818 -26.911 1.00 23.45 C ATOM 1154 CE LYS A 74 -18.176 -6.373 -26.084 1.00 40.13 C ATOM 1155 NZ LYS A 74 -19.458 -5.675 -26.380 1.00 21.04 N ATOM 0 H LYS A 74 -14.399 -2.066 -25.920 1.00 41.42 H new ATOM 0 HA LYS A 74 -13.392 -4.773 -25.261 1.00 2.44 H new ATOM 0 HB2 LYS A 74 -15.259 -3.799 -27.450 1.00 72.11 H new ATOM 0 HB3 LYS A 74 -14.427 -5.338 -27.545 1.00 72.11 H new ATOM 0 HG2 LYS A 74 -15.507 -6.041 -25.411 1.00 62.14 H new ATOM 0 HG3 LYS A 74 -16.357 -4.510 -25.346 1.00 62.14 H new ATOM 0 HD2 LYS A 74 -17.398 -5.041 -27.579 1.00 23.45 H new ATOM 0 HD3 LYS A 74 -16.614 -6.608 -27.539 1.00 23.45 H new ATOM 0 HE2 LYS A 74 -18.287 -7.438 -26.285 1.00 40.13 H new ATOM 0 HE3 LYS A 74 -17.943 -6.272 -25.024 1.00 40.13 H new ATOM 0 HZ1 LYS A 74 -20.217 -6.081 -25.797 1.00 21.04 H new ATOM 0 HZ2 LYS A 74 -19.360 -4.662 -26.164 1.00 21.04 H new ATOM 0 HZ3 LYS A 74 -19.693 -5.793 -27.386 1.00 21.04 H new ATOM 1169 N SER A 75 -11.489 -4.625 -26.852 1.00 22.34 N ATOM 1170 CA SER A 75 -10.281 -4.460 -27.652 1.00 11.21 C ATOM 1171 C SER A 75 -10.629 -4.251 -29.123 1.00 5.23 C ATOM 1172 O SER A 75 -11.532 -4.894 -29.656 1.00 2.33 O ATOM 1173 CB SER A 75 -9.372 -5.680 -27.499 1.00 64.45 C ATOM 1174 OG SER A 75 -10.075 -6.879 -27.778 1.00 51.40 O ATOM 0 H SER A 75 -11.498 -5.463 -26.270 1.00 22.34 H new ATOM 0 HA SER A 75 -9.754 -3.577 -27.292 1.00 11.21 H new ATOM 0 HB2 SER A 75 -8.520 -5.589 -28.173 1.00 64.45 H new ATOM 0 HB3 SER A 75 -8.974 -5.716 -26.485 1.00 64.45 H new ATOM 0 HG SER A 75 -9.768 -7.247 -28.633 1.00 51.40 H new ATOM 1180 N ASN A 76 -9.904 -3.346 -29.773 1.00 25.13 N ATOM 1181 CA ASN A 76 -10.134 -3.051 -31.182 1.00 55.31 C ATOM 1182 C ASN A 76 -9.640 -4.192 -32.065 1.00 63.13 C ATOM 1183 O ASN A 76 -9.687 -4.107 -33.292 1.00 51.43 O ATOM 1184 CB ASN A 76 -9.434 -1.748 -31.573 1.00 42.10 C ATOM 1185 CG ASN A 76 -10.379 -0.756 -32.223 1.00 2.30 C ATOM 1186 OD1 ASN A 76 -10.224 -0.410 -33.395 1.00 33.45 O ATOM 1187 ND2 ASN A 76 -11.364 -0.292 -31.463 1.00 1.12 N ATOM 0 H ASN A 76 -9.152 -2.805 -29.346 1.00 25.13 H new ATOM 0 HA ASN A 76 -11.208 -2.938 -31.333 1.00 55.31 H new ATOM 0 HB2 ASN A 76 -8.992 -1.296 -30.685 1.00 42.10 H new ATOM 0 HB3 ASN A 76 -8.616 -1.970 -32.259 1.00 42.10 H new ATOM 0 HD21 ASN A 76 -12.030 0.379 -31.845 1.00 1.12 H new ATOM 0 HD22 ASN A 76 -11.454 -0.606 -30.497 1.00 1.12 H new ATOM 1194 N SER A 77 -9.166 -5.260 -31.432 1.00 63.30 N ATOM 1195 CA SER A 77 -8.659 -6.418 -32.160 1.00 32.03 C ATOM 1196 C SER A 77 -8.494 -7.615 -31.229 1.00 31.34 C ATOM 1197 O SER A 77 -8.598 -7.486 -30.009 1.00 31.11 O ATOM 1198 CB SER A 77 -7.321 -6.085 -32.823 1.00 12.14 C ATOM 1199 OG SER A 77 -7.431 -6.114 -34.235 1.00 64.42 O ATOM 0 H SER A 77 -9.122 -5.348 -30.417 1.00 63.30 H new ATOM 0 HA SER A 77 -9.384 -6.677 -32.932 1.00 32.03 H new ATOM 0 HB2 SER A 77 -6.988 -5.098 -32.501 1.00 12.14 H new ATOM 0 HB3 SER A 77 -6.563 -6.799 -32.499 1.00 12.14 H new ATOM 0 HG SER A 77 -6.563 -5.896 -34.635 1.00 64.42 H new ATOM 1205 N SER A 78 -8.236 -8.781 -31.813 1.00 53.35 N ATOM 1206 CA SER A 78 -8.060 -10.003 -31.038 1.00 15.12 C ATOM 1207 C SER A 78 -6.791 -9.933 -30.194 1.00 14.12 C ATOM 1208 O SER A 78 -5.872 -9.173 -30.498 1.00 31.42 O ATOM 1209 CB SER A 78 -8.003 -11.217 -31.966 1.00 64.54 C ATOM 1210 OG SER A 78 -6.952 -11.090 -32.908 1.00 44.33 O ATOM 0 H SER A 78 -8.144 -8.905 -32.821 1.00 53.35 H new ATOM 0 HA SER A 78 -8.915 -10.106 -30.369 1.00 15.12 H new ATOM 0 HB2 SER A 78 -7.860 -12.123 -31.377 1.00 64.54 H new ATOM 0 HB3 SER A 78 -8.953 -11.324 -32.489 1.00 64.54 H new ATOM 0 HG SER A 78 -6.936 -11.880 -33.488 1.00 44.33 H new ATOM 1216 N MET A 79 -6.750 -10.731 -29.132 1.00 62.11 N ATOM 1217 CA MET A 79 -5.593 -10.761 -28.244 1.00 35.10 C ATOM 1218 C MET A 79 -5.397 -12.154 -27.654 1.00 61.12 C ATOM 1219 O MET A 79 -6.364 -12.838 -27.317 1.00 24.32 O ATOM 1220 CB MET A 79 -5.761 -9.737 -27.119 1.00 65.44 C ATOM 1221 CG MET A 79 -4.510 -8.914 -26.856 1.00 71.14 C ATOM 1222 SD MET A 79 -4.607 -7.975 -25.320 1.00 53.34 S ATOM 1223 CE MET A 79 -4.992 -6.341 -25.946 1.00 74.32 C ATOM 0 H MET A 79 -7.503 -11.365 -28.865 1.00 62.11 H new ATOM 0 HA MET A 79 -4.710 -10.506 -28.829 1.00 35.10 H new ATOM 0 HB2 MET A 79 -6.582 -9.065 -27.370 1.00 65.44 H new ATOM 0 HB3 MET A 79 -6.043 -10.258 -26.204 1.00 65.44 H new ATOM 0 HG2 MET A 79 -3.645 -9.576 -26.818 1.00 71.14 H new ATOM 0 HG3 MET A 79 -4.350 -8.228 -27.687 1.00 71.14 H new ATOM 0 HE1 MET A 79 -4.409 -5.597 -25.403 1.00 74.32 H new ATOM 0 HE2 MET A 79 -4.747 -6.291 -27.007 1.00 74.32 H new ATOM 0 HE3 MET A 79 -6.054 -6.140 -25.809 1.00 74.32 H new ATOM 1233 N HIS A 80 -4.140 -12.569 -27.533 1.00 42.30 N ATOM 1234 CA HIS A 80 -3.817 -13.881 -26.983 1.00 51.34 C ATOM 1235 C HIS A 80 -4.326 -14.010 -25.551 1.00 3.32 C ATOM 1236 O HIS A 80 -4.108 -13.125 -24.723 1.00 4.32 O ATOM 1237 CB HIS A 80 -2.307 -14.117 -27.024 1.00 40.30 C ATOM 1238 CG HIS A 80 -1.695 -13.853 -28.365 1.00 53.54 C ATOM 1239 ND1 HIS A 80 -0.339 -13.690 -28.555 1.00 53.24 N ATOM 1240 CD2 HIS A 80 -2.263 -13.725 -29.588 1.00 1.24 C ATOM 1241 CE1 HIS A 80 -0.099 -13.472 -29.836 1.00 54.40 C ATOM 1242 NE2 HIS A 80 -1.250 -13.488 -30.484 1.00 71.32 N ATOM 0 H HIS A 80 -3.328 -12.016 -27.808 1.00 42.30 H new ATOM 0 HA HIS A 80 -4.311 -14.636 -27.595 1.00 51.34 H new ATOM 0 HB2 HIS A 80 -1.828 -13.477 -26.283 1.00 40.30 H new ATOM 0 HB3 HIS A 80 -2.101 -15.148 -26.736 1.00 40.30 H new ATOM 0 HD2 HIS A 80 -3.316 -13.796 -29.816 1.00 1.24 H new ATOM 0 HE1 HIS A 80 0.873 -13.309 -30.278 1.00 54.40 H new ATOM 0 HE2 HIS A 80 -1.367 -13.347 -31.487 1.00 71.32 H new ATOM 1250 N ILE A 81 -5.004 -15.116 -25.266 1.00 73.04 N ATOM 1251 CA ILE A 81 -5.543 -15.360 -23.934 1.00 51.11 C ATOM 1252 C ILE A 81 -5.673 -16.854 -23.659 1.00 31.12 C ATOM 1253 O ILE A 81 -5.582 -17.676 -24.572 1.00 14.34 O ATOM 1254 CB ILE A 81 -6.920 -14.694 -23.753 1.00 70.22 C ATOM 1255 CG1 ILE A 81 -7.977 -15.424 -24.584 1.00 70.52 C ATOM 1256 CG2 ILE A 81 -6.854 -13.225 -24.143 1.00 64.24 C ATOM 1257 CD1 ILE A 81 -7.925 -15.088 -26.058 1.00 73.21 C ATOM 0 H ILE A 81 -5.193 -15.858 -25.940 1.00 73.04 H new ATOM 0 HA ILE A 81 -4.841 -14.922 -23.224 1.00 51.11 H new ATOM 0 HB ILE A 81 -7.202 -14.758 -22.702 1.00 70.22 H new ATOM 0 HG12 ILE A 81 -7.846 -16.499 -24.460 1.00 70.52 H new ATOM 0 HG13 ILE A 81 -8.966 -15.176 -24.198 1.00 70.52 H new ATOM 0 HG21 ILE A 81 -7.835 -12.769 -24.010 1.00 64.24 H new ATOM 0 HG22 ILE A 81 -6.127 -12.713 -23.512 1.00 64.24 H new ATOM 0 HG23 ILE A 81 -6.553 -13.139 -25.187 1.00 64.24 H new ATOM 0 HD11 ILE A 81 -8.702 -15.641 -26.585 1.00 73.21 H new ATOM 0 HD12 ILE A 81 -8.086 -14.018 -26.193 1.00 73.21 H new ATOM 0 HD13 ILE A 81 -6.949 -15.362 -26.459 1.00 73.21 H new ATOM 1269 N THR A 82 -5.888 -17.201 -22.393 1.00 53.34 N ATOM 1270 CA THR A 82 -6.032 -18.596 -21.997 1.00 1.31 C ATOM 1271 C THR A 82 -7.291 -18.803 -21.162 1.00 64.45 C ATOM 1272 O THR A 82 -7.340 -18.427 -19.991 1.00 44.14 O ATOM 1273 CB THR A 82 -4.811 -19.080 -21.192 1.00 43.44 C ATOM 1274 OG1 THR A 82 -3.610 -18.527 -21.744 1.00 73.54 O ATOM 1275 CG2 THR A 82 -4.726 -20.598 -21.199 1.00 21.54 C ATOM 0 H THR A 82 -5.966 -16.534 -21.625 1.00 53.34 H new ATOM 0 HA THR A 82 -6.108 -19.179 -22.915 1.00 1.31 H new ATOM 0 HB THR A 82 -4.926 -18.743 -20.162 1.00 43.44 H new ATOM 0 HG1 THR A 82 -3.082 -19.241 -22.158 1.00 73.54 H new ATOM 0 HG21 THR A 82 -3.856 -20.916 -20.624 1.00 21.54 H new ATOM 0 HG22 THR A 82 -5.629 -21.015 -20.752 1.00 21.54 H new ATOM 0 HG23 THR A 82 -4.632 -20.952 -22.225 1.00 21.54 H new ATOM 1283 N ASP A 83 -8.306 -19.405 -21.772 1.00 71.00 N ATOM 1284 CA ASP A 83 -9.565 -19.665 -21.084 1.00 55.40 C ATOM 1285 C ASP A 83 -9.367 -20.658 -19.944 1.00 20.32 C ATOM 1286 O ASP A 83 -8.729 -21.697 -20.115 1.00 64.34 O ATOM 1287 CB ASP A 83 -10.608 -20.199 -22.067 1.00 63.25 C ATOM 1288 CG ASP A 83 -11.924 -19.452 -21.979 1.00 20.30 C ATOM 1289 OD1 ASP A 83 -12.741 -19.793 -21.099 1.00 32.52 O ATOM 1290 OD2 ASP A 83 -12.137 -18.527 -22.791 1.00 34.14 O ATOM 0 H ASP A 83 -8.282 -19.722 -22.741 1.00 71.00 H new ATOM 0 HA ASP A 83 -9.921 -18.724 -20.664 1.00 55.40 H new ATOM 0 HB2 ASP A 83 -10.218 -20.123 -23.082 1.00 63.25 H new ATOM 0 HB3 ASP A 83 -10.780 -21.257 -21.870 1.00 63.25 H new ATOM 1295 N CYS A 84 -9.917 -20.332 -18.779 1.00 71.10 N ATOM 1296 CA CYS A 84 -9.800 -21.194 -17.609 1.00 62.22 C ATOM 1297 C CYS A 84 -11.159 -21.401 -16.947 1.00 51.41 C ATOM 1298 O CYS A 84 -11.651 -20.528 -16.231 1.00 21.53 O ATOM 1299 CB CYS A 84 -8.816 -20.593 -16.603 1.00 73.12 C ATOM 1300 SG CYS A 84 -7.211 -20.122 -17.324 1.00 1.53 S ATOM 0 H CYS A 84 -10.449 -19.476 -18.620 1.00 71.10 H new ATOM 0 HA CYS A 84 -9.425 -22.163 -17.939 1.00 62.22 H new ATOM 0 HB2 CYS A 84 -9.270 -19.713 -16.148 1.00 73.12 H new ATOM 0 HB3 CYS A 84 -8.646 -21.313 -15.803 1.00 73.12 H new ATOM 1305 N ARG A 85 -11.760 -22.560 -17.192 1.00 74.21 N ATOM 1306 CA ARG A 85 -13.063 -22.881 -16.621 1.00 22.11 C ATOM 1307 C ARG A 85 -13.034 -24.243 -15.933 1.00 11.10 C ATOM 1308 O ARG A 85 -12.440 -25.195 -16.441 1.00 52.22 O ATOM 1309 CB ARG A 85 -14.138 -22.870 -17.709 1.00 64.35 C ATOM 1310 CG ARG A 85 -15.474 -23.432 -17.252 1.00 24.51 C ATOM 1311 CD ARG A 85 -16.379 -23.747 -18.432 1.00 72.23 C ATOM 1312 NE ARG A 85 -16.672 -25.174 -18.532 1.00 71.42 N ATOM 1313 CZ ARG A 85 -17.751 -25.663 -19.133 1.00 52.25 C ATOM 1314 NH1 ARG A 85 -18.635 -24.843 -19.686 1.00 3.11 N ATOM 1315 NH2 ARG A 85 -17.948 -26.974 -19.183 1.00 70.15 N ATOM 0 H ARG A 85 -11.366 -23.293 -17.782 1.00 74.21 H new ATOM 0 HA ARG A 85 -13.302 -22.122 -15.877 1.00 22.11 H new ATOM 0 HB2 ARG A 85 -14.283 -21.846 -18.054 1.00 64.35 H new ATOM 0 HB3 ARG A 85 -13.784 -23.447 -18.563 1.00 64.35 H new ATOM 0 HG2 ARG A 85 -15.308 -24.337 -16.667 1.00 24.51 H new ATOM 0 HG3 ARG A 85 -15.966 -22.714 -16.596 1.00 24.51 H new ATOM 0 HD2 ARG A 85 -17.312 -23.192 -18.332 1.00 72.23 H new ATOM 0 HD3 ARG A 85 -15.904 -23.409 -19.353 1.00 72.23 H new ATOM 0 HE ARG A 85 -16.012 -25.832 -18.117 1.00 71.42 H new ATOM 0 HH11 ARG A 85 -18.487 -23.834 -19.650 1.00 3.11 H new ATOM 0 HH12 ARG A 85 -19.463 -25.221 -20.147 1.00 3.11 H new ATOM 0 HH21 ARG A 85 -17.270 -27.608 -18.760 1.00 70.15 H new ATOM 0 HH22 ARG A 85 -18.777 -27.348 -19.645 1.00 70.15 H new ATOM 1329 N LEU A 86 -13.679 -24.328 -14.775 1.00 23.24 N ATOM 1330 CA LEU A 86 -13.727 -25.573 -14.016 1.00 31.31 C ATOM 1331 C LEU A 86 -14.201 -26.728 -14.893 1.00 45.44 C ATOM 1332 O LEU A 86 -14.895 -26.521 -15.889 1.00 63.25 O ATOM 1333 CB LEU A 86 -14.654 -25.422 -12.808 1.00 61.14 C ATOM 1334 CG LEU A 86 -13.968 -25.244 -11.454 1.00 24.24 C ATOM 1335 CD1 LEU A 86 -14.985 -25.321 -10.326 1.00 21.22 C ATOM 1336 CD2 LEU A 86 -12.880 -26.291 -11.265 1.00 65.24 C ATOM 0 H LEU A 86 -14.176 -23.550 -14.341 1.00 23.24 H new ATOM 0 HA LEU A 86 -12.719 -25.796 -13.667 1.00 31.31 H new ATOM 0 HB2 LEU A 86 -15.304 -24.564 -12.979 1.00 61.14 H new ATOM 0 HB3 LEU A 86 -15.295 -26.302 -12.755 1.00 61.14 H new ATOM 0 HG LEU A 86 -13.504 -24.258 -11.431 1.00 24.24 H new ATOM 0 HD11 LEU A 86 -14.478 -25.192 -9.370 1.00 21.22 H new ATOM 0 HD12 LEU A 86 -15.728 -24.534 -10.452 1.00 21.22 H new ATOM 0 HD13 LEU A 86 -15.479 -26.293 -10.347 1.00 21.22 H new ATOM 0 HD21 LEU A 86 -12.403 -26.149 -10.296 1.00 65.24 H new ATOM 0 HD22 LEU A 86 -13.321 -27.287 -11.309 1.00 65.24 H new ATOM 0 HD23 LEU A 86 -12.136 -26.189 -12.055 1.00 65.24 H new ATOM 1348 N THR A 87 -13.822 -27.945 -14.516 1.00 34.11 N ATOM 1349 CA THR A 87 -14.209 -29.133 -15.267 1.00 42.31 C ATOM 1350 C THR A 87 -15.207 -29.978 -14.484 1.00 41.10 C ATOM 1351 O THR A 87 -15.144 -30.052 -13.258 1.00 21.23 O ATOM 1352 CB THR A 87 -12.984 -29.999 -15.618 1.00 52.51 C ATOM 1353 OG1 THR A 87 -12.738 -30.945 -14.573 1.00 22.44 O ATOM 1354 CG2 THR A 87 -11.751 -29.133 -15.826 1.00 41.40 C ATOM 0 H THR A 87 -13.247 -28.134 -13.695 1.00 34.11 H new ATOM 0 HA THR A 87 -14.676 -28.786 -16.189 1.00 42.31 H new ATOM 0 HB THR A 87 -13.196 -30.530 -16.546 1.00 52.51 H new ATOM 0 HG1 THR A 87 -12.720 -30.482 -13.710 1.00 22.44 H new ATOM 0 HG21 THR A 87 -10.899 -29.766 -16.073 1.00 41.40 H new ATOM 0 HG22 THR A 87 -11.931 -28.433 -16.642 1.00 41.40 H new ATOM 0 HG23 THR A 87 -11.538 -28.578 -14.912 1.00 41.40 H new ATOM 1362 N ASN A 88 -16.127 -30.614 -15.201 1.00 75.21 N ATOM 1363 CA ASN A 88 -17.140 -31.455 -14.572 1.00 65.23 C ATOM 1364 C ASN A 88 -16.496 -32.475 -13.638 1.00 5.33 C ATOM 1365 O ASN A 88 -15.959 -33.488 -14.083 1.00 30.43 O ATOM 1366 CB ASN A 88 -17.968 -32.176 -15.638 1.00 41.41 C ATOM 1367 CG ASN A 88 -19.409 -32.379 -15.211 1.00 24.23 C ATOM 1368 OD1 ASN A 88 -19.720 -33.303 -14.459 1.00 10.23 O ATOM 1369 ND2 ASN A 88 -20.296 -31.515 -15.690 1.00 45.12 N ATOM 0 H ASN A 88 -16.193 -30.564 -16.218 1.00 75.21 H new ATOM 0 HA ASN A 88 -17.796 -30.813 -13.984 1.00 65.23 H new ATOM 0 HB2 ASN A 88 -17.944 -31.601 -16.564 1.00 41.41 H new ATOM 0 HB3 ASN A 88 -17.516 -33.144 -15.852 1.00 41.41 H new ATOM 0 HD21 ASN A 88 -21.280 -31.602 -15.437 1.00 45.12 H new ATOM 0 HD22 ASN A 88 -19.993 -30.764 -16.311 1.00 45.12 H new ATOM 1376 N GLY A 89 -16.554 -32.198 -12.338 1.00 44.04 N ATOM 1377 CA GLY A 89 -15.973 -33.100 -11.361 1.00 61.12 C ATOM 1378 C GLY A 89 -14.834 -32.464 -10.590 1.00 1.45 C ATOM 1379 O GLY A 89 -14.106 -33.146 -9.868 1.00 15.21 O ATOM 0 H GLY A 89 -16.993 -31.365 -11.945 1.00 44.04 H new ATOM 0 HA2 GLY A 89 -16.746 -33.421 -10.663 1.00 61.12 H new ATOM 0 HA3 GLY A 89 -15.610 -33.994 -11.868 1.00 61.12 H new ATOM 1383 N SER A 90 -14.677 -31.153 -10.743 1.00 12.44 N ATOM 1384 CA SER A 90 -13.615 -30.425 -10.059 1.00 1.34 C ATOM 1385 C SER A 90 -14.194 -29.457 -9.031 1.00 21.11 C ATOM 1386 O SER A 90 -14.806 -28.450 -9.387 1.00 12.04 O ATOM 1387 CB SER A 90 -12.759 -29.660 -11.070 1.00 24.21 C ATOM 1388 OG SER A 90 -12.352 -30.503 -12.134 1.00 54.24 O ATOM 0 H SER A 90 -15.272 -30.573 -11.335 1.00 12.44 H new ATOM 0 HA SER A 90 -12.989 -31.150 -9.538 1.00 1.34 H new ATOM 0 HB2 SER A 90 -13.325 -28.817 -11.466 1.00 24.21 H new ATOM 0 HB3 SER A 90 -11.881 -29.249 -10.571 1.00 24.21 H new ATOM 0 HG SER A 90 -12.113 -31.385 -11.780 1.00 54.24 H new ATOM 1394 N ARG A 91 -13.995 -29.771 -7.755 1.00 15.42 N ATOM 1395 CA ARG A 91 -14.498 -28.931 -6.675 1.00 13.54 C ATOM 1396 C ARG A 91 -13.446 -28.762 -5.582 1.00 34.40 C ATOM 1397 O ARG A 91 -12.529 -29.574 -5.459 1.00 70.41 O ATOM 1398 CB ARG A 91 -15.773 -29.534 -6.082 1.00 1.23 C ATOM 1399 CG ARG A 91 -16.976 -28.607 -6.154 1.00 22.43 C ATOM 1400 CD ARG A 91 -16.666 -27.245 -5.553 1.00 34.11 C ATOM 1401 NE ARG A 91 -17.874 -26.450 -5.349 1.00 52.31 N ATOM 1402 CZ ARG A 91 -18.698 -26.615 -4.321 1.00 34.53 C ATOM 1403 NH1 ARG A 91 -18.446 -27.543 -3.407 1.00 41.32 N ATOM 1404 NH2 ARG A 91 -19.778 -25.852 -4.204 1.00 63.32 N ATOM 0 H ARG A 91 -13.489 -30.600 -7.444 1.00 15.42 H new ATOM 0 HA ARG A 91 -14.727 -27.949 -7.089 1.00 13.54 H new ATOM 0 HB2 ARG A 91 -16.006 -30.459 -6.609 1.00 1.23 H new ATOM 0 HB3 ARG A 91 -15.590 -29.797 -5.040 1.00 1.23 H new ATOM 0 HG2 ARG A 91 -17.282 -28.486 -7.193 1.00 22.43 H new ATOM 0 HG3 ARG A 91 -17.816 -29.057 -5.625 1.00 22.43 H new ATOM 0 HD2 ARG A 91 -16.154 -27.377 -4.600 1.00 34.11 H new ATOM 0 HD3 ARG A 91 -15.983 -26.706 -6.210 1.00 34.11 H new ATOM 0 HE ARG A 91 -18.097 -25.728 -6.034 1.00 52.31 H new ATOM 0 HH11 ARG A 91 -17.618 -28.132 -3.493 1.00 41.32 H new ATOM 0 HH12 ARG A 91 -19.081 -27.668 -2.618 1.00 41.32 H new ATOM 0 HH21 ARG A 91 -19.976 -25.138 -4.905 1.00 63.32 H new ATOM 0 HH22 ARG A 91 -20.410 -25.980 -3.414 1.00 63.32 H new ATOM 1418 N TYR A 92 -13.586 -27.704 -4.792 1.00 1.12 N ATOM 1419 CA TYR A 92 -12.646 -27.427 -3.712 1.00 34.44 C ATOM 1420 C TYR A 92 -12.469 -28.651 -2.817 1.00 42.35 C ATOM 1421 O TYR A 92 -13.427 -29.339 -2.465 1.00 51.24 O ATOM 1422 CB TYR A 92 -13.130 -26.239 -2.879 1.00 21.04 C ATOM 1423 CG TYR A 92 -12.071 -25.672 -1.961 1.00 23.14 C ATOM 1424 CD1 TYR A 92 -11.616 -26.394 -0.864 1.00 3.32 C ATOM 1425 CD2 TYR A 92 -11.525 -24.415 -2.189 1.00 55.23 C ATOM 1426 CE1 TYR A 92 -10.649 -25.880 -0.022 1.00 4.42 C ATOM 1427 CE2 TYR A 92 -10.557 -23.893 -1.354 1.00 20.44 C ATOM 1428 CZ TYR A 92 -10.122 -24.629 -0.271 1.00 70.41 C ATOM 1429 OH TYR A 92 -9.158 -24.113 0.565 1.00 54.05 O ATOM 0 H TYR A 92 -14.341 -27.024 -4.879 1.00 1.12 H new ATOM 0 HA TYR A 92 -11.682 -27.182 -4.157 1.00 34.44 H new ATOM 0 HB2 TYR A 92 -13.476 -25.453 -3.550 1.00 21.04 H new ATOM 0 HB3 TYR A 92 -13.988 -26.550 -2.282 1.00 21.04 H new ATOM 0 HD1 TYR A 92 -12.025 -27.374 -0.666 1.00 3.32 H new ATOM 0 HD2 TYR A 92 -11.864 -23.835 -3.035 1.00 55.23 H new ATOM 0 HE1 TYR A 92 -10.307 -26.454 0.827 1.00 4.42 H new ATOM 0 HE2 TYR A 92 -10.143 -22.914 -1.547 1.00 20.44 H new ATOM 0 HH TYR A 92 -8.893 -23.224 0.249 1.00 54.05 H new ATOM 1439 N PRO A 93 -11.212 -28.929 -2.440 1.00 51.11 N ATOM 1440 CA PRO A 93 -10.063 -28.117 -2.854 1.00 34.44 C ATOM 1441 C PRO A 93 -9.754 -28.265 -4.339 1.00 71.04 C ATOM 1442 O PRO A 93 -9.127 -27.395 -4.942 1.00 24.14 O ATOM 1443 CB PRO A 93 -8.914 -28.674 -2.010 1.00 62.21 C ATOM 1444 CG PRO A 93 -9.317 -30.074 -1.698 1.00 24.12 C ATOM 1445 CD PRO A 93 -10.816 -30.057 -1.581 1.00 63.42 C ATOM 0 HA PRO A 93 -10.241 -27.052 -2.706 1.00 34.44 H new ATOM 0 HB2 PRO A 93 -7.971 -28.646 -2.557 1.00 62.21 H new ATOM 0 HB3 PRO A 93 -8.772 -28.091 -1.100 1.00 62.21 H new ATOM 0 HG2 PRO A 93 -8.995 -30.757 -2.484 1.00 24.12 H new ATOM 0 HG3 PRO A 93 -8.857 -30.415 -0.771 1.00 24.12 H new ATOM 0 HD2 PRO A 93 -11.256 -30.995 -1.920 1.00 63.42 H new ATOM 0 HD3 PRO A 93 -11.137 -29.909 -0.550 1.00 63.42 H new ATOM 1453 N ASN A 94 -10.199 -29.372 -4.925 1.00 33.23 N ATOM 1454 CA ASN A 94 -9.970 -29.633 -6.341 1.00 25.40 C ATOM 1455 C ASN A 94 -10.505 -28.491 -7.199 1.00 5.33 C ATOM 1456 O ASN A 94 -11.713 -28.262 -7.264 1.00 3.42 O ATOM 1457 CB ASN A 94 -10.633 -30.949 -6.753 1.00 14.04 C ATOM 1458 CG ASN A 94 -10.842 -31.884 -5.577 1.00 0.01 C ATOM 1459 OD1 ASN A 94 -11.971 -32.261 -5.262 1.00 2.21 O ATOM 1460 ND2 ASN A 94 -9.751 -32.263 -4.922 1.00 2.44 N ATOM 0 H ASN A 94 -10.720 -30.103 -4.441 1.00 33.23 H new ATOM 0 HA ASN A 94 -8.894 -29.710 -6.500 1.00 25.40 H new ATOM 0 HB2 ASN A 94 -11.594 -30.737 -7.221 1.00 14.04 H new ATOM 0 HB3 ASN A 94 -10.016 -31.445 -7.503 1.00 14.04 H new ATOM 0 HD21 ASN A 94 -9.829 -32.892 -4.122 1.00 2.44 H new ATOM 0 HD22 ASN A 94 -8.835 -31.926 -5.218 1.00 2.44 H new ATOM 1467 N CYS A 95 -9.597 -27.777 -7.856 1.00 40.40 N ATOM 1468 CA CYS A 95 -9.976 -26.658 -8.710 1.00 42.43 C ATOM 1469 C CYS A 95 -9.569 -26.916 -10.158 1.00 63.30 C ATOM 1470 O CYS A 95 -9.493 -25.992 -10.967 1.00 31.01 O ATOM 1471 CB CYS A 95 -9.328 -25.365 -8.210 1.00 51.11 C ATOM 1472 SG CYS A 95 -9.983 -24.774 -6.616 1.00 44.21 S ATOM 0 H CYS A 95 -8.593 -27.954 -7.813 1.00 40.40 H new ATOM 0 HA CYS A 95 -11.060 -26.553 -8.669 1.00 42.43 H new ATOM 0 HB2 CYS A 95 -8.254 -25.523 -8.113 1.00 51.11 H new ATOM 0 HB3 CYS A 95 -9.469 -24.587 -8.960 1.00 51.11 H new ATOM 1477 N ALA A 96 -9.308 -28.180 -10.477 1.00 0.13 N ATOM 1478 CA ALA A 96 -8.911 -28.561 -11.826 1.00 72.15 C ATOM 1479 C ALA A 96 -9.737 -27.819 -12.872 1.00 3.53 C ATOM 1480 O ALA A 96 -10.887 -28.171 -13.133 1.00 51.13 O ATOM 1481 CB ALA A 96 -9.050 -30.065 -12.013 1.00 2.25 C ATOM 0 H ALA A 96 -9.365 -28.957 -9.819 1.00 0.13 H new ATOM 0 HA ALA A 96 -7.866 -28.284 -11.962 1.00 72.15 H new ATOM 0 HB1 ALA A 96 -8.750 -30.335 -13.025 1.00 2.25 H new ATOM 0 HB2 ALA A 96 -8.412 -30.581 -11.296 1.00 2.25 H new ATOM 0 HB3 ALA A 96 -10.088 -30.357 -11.852 1.00 2.25 H new ATOM 1487 N TYR A 97 -9.143 -26.789 -13.466 1.00 20.35 N ATOM 1488 CA TYR A 97 -9.825 -25.995 -14.480 1.00 51.12 C ATOM 1489 C TYR A 97 -9.549 -26.543 -15.877 1.00 52.52 C ATOM 1490 O TYR A 97 -8.834 -27.532 -16.038 1.00 55.13 O ATOM 1491 CB TYR A 97 -9.382 -24.533 -14.397 1.00 30.34 C ATOM 1492 CG TYR A 97 -9.559 -23.924 -13.024 1.00 32.40 C ATOM 1493 CD1 TYR A 97 -10.758 -24.057 -12.333 1.00 64.12 C ATOM 1494 CD2 TYR A 97 -8.529 -23.216 -12.418 1.00 52.32 C ATOM 1495 CE1 TYR A 97 -10.925 -23.502 -11.079 1.00 65.02 C ATOM 1496 CE2 TYR A 97 -8.687 -22.659 -11.164 1.00 44.40 C ATOM 1497 CZ TYR A 97 -9.886 -22.804 -10.499 1.00 30.23 C ATOM 1498 OH TYR A 97 -10.047 -22.249 -9.250 1.00 33.42 O ATOM 0 H TYR A 97 -8.191 -26.485 -13.262 1.00 20.35 H new ATOM 0 HA TYR A 97 -10.897 -26.054 -14.291 1.00 51.12 H new ATOM 0 HB2 TYR A 97 -8.333 -24.463 -14.684 1.00 30.34 H new ATOM 0 HB3 TYR A 97 -9.950 -23.948 -15.121 1.00 30.34 H new ATOM 0 HD1 TYR A 97 -11.573 -24.604 -12.784 1.00 64.12 H new ATOM 0 HD2 TYR A 97 -7.589 -23.099 -12.936 1.00 52.32 H new ATOM 0 HE1 TYR A 97 -11.863 -23.614 -10.556 1.00 65.02 H new ATOM 0 HE2 TYR A 97 -7.875 -22.113 -10.707 1.00 44.40 H new ATOM 0 HH TYR A 97 -10.680 -22.788 -8.732 1.00 33.42 H new ATOM 1508 N ARG A 98 -10.121 -25.891 -16.885 1.00 0.14 N ATOM 1509 CA ARG A 98 -9.938 -26.312 -18.268 1.00 51.44 C ATOM 1510 C ARG A 98 -9.114 -25.288 -19.043 1.00 44.24 C ATOM 1511 O ARG A 98 -9.618 -24.233 -19.432 1.00 23.35 O ATOM 1512 CB ARG A 98 -11.295 -26.509 -18.947 1.00 43.04 C ATOM 1513 CG ARG A 98 -11.428 -27.842 -19.666 1.00 10.23 C ATOM 1514 CD ARG A 98 -11.706 -27.650 -21.148 1.00 73.24 C ATOM 1515 NE ARG A 98 -12.630 -28.656 -21.666 1.00 64.15 N ATOM 1516 CZ ARG A 98 -12.255 -29.875 -22.039 1.00 32.04 C ATOM 1517 NH1 ARG A 98 -10.983 -30.237 -21.950 1.00 21.30 N ATOM 1518 NH2 ARG A 98 -13.155 -30.735 -22.500 1.00 45.42 N ATOM 0 H ARG A 98 -10.715 -25.070 -16.769 1.00 0.14 H new ATOM 0 HA ARG A 98 -9.399 -27.260 -18.265 1.00 51.44 H new ATOM 0 HB2 ARG A 98 -12.082 -26.430 -18.197 1.00 43.04 H new ATOM 0 HB3 ARG A 98 -11.454 -25.702 -19.662 1.00 43.04 H new ATOM 0 HG2 ARG A 98 -10.512 -28.419 -19.538 1.00 10.23 H new ATOM 0 HG3 ARG A 98 -12.234 -28.421 -19.215 1.00 10.23 H new ATOM 0 HD2 ARG A 98 -12.122 -26.656 -21.313 1.00 73.24 H new ATOM 0 HD3 ARG A 98 -10.769 -27.699 -21.702 1.00 73.24 H new ATOM 0 HE ARG A 98 -13.617 -28.409 -21.746 1.00 64.15 H new ATOM 0 HH11 ARG A 98 -10.289 -29.579 -21.594 1.00 21.30 H new ATOM 0 HH12 ARG A 98 -10.698 -31.173 -22.237 1.00 21.30 H new ATOM 0 HH21 ARG A 98 -14.135 -30.460 -22.568 1.00 45.42 H new ATOM 0 HH22 ARG A 98 -12.867 -31.671 -22.786 1.00 45.42 H new ATOM 1532 N THR A 99 -7.842 -25.605 -19.265 1.00 62.43 N ATOM 1533 CA THR A 99 -6.947 -24.714 -19.992 1.00 1.42 C ATOM 1534 C THR A 99 -7.215 -24.768 -21.491 1.00 62.15 C ATOM 1535 O THR A 99 -6.816 -25.716 -22.169 1.00 15.41 O ATOM 1536 CB THR A 99 -5.470 -25.066 -19.733 1.00 31.35 C ATOM 1537 OG1 THR A 99 -5.282 -25.407 -18.354 1.00 54.14 O ATOM 1538 CG2 THR A 99 -4.563 -23.902 -20.100 1.00 40.15 C ATOM 0 H THR A 99 -7.408 -26.473 -18.951 1.00 62.43 H new ATOM 0 HA THR A 99 -7.142 -23.705 -19.627 1.00 1.42 H new ATOM 0 HB THR A 99 -5.209 -25.920 -20.358 1.00 31.35 H new ATOM 0 HG1 THR A 99 -4.383 -25.775 -18.228 1.00 54.14 H new ATOM 0 HG21 THR A 99 -3.525 -24.175 -19.908 1.00 40.15 H new ATOM 0 HG22 THR A 99 -4.686 -23.664 -21.156 1.00 40.15 H new ATOM 0 HG23 THR A 99 -4.826 -23.032 -19.499 1.00 40.15 H new ATOM 1546 N SER A 100 -7.892 -23.746 -22.005 1.00 5.54 N ATOM 1547 CA SER A 100 -8.215 -23.679 -23.425 1.00 13.22 C ATOM 1548 C SER A 100 -7.436 -22.559 -24.108 1.00 22.23 C ATOM 1549 O SER A 100 -7.795 -21.384 -24.035 1.00 54.12 O ATOM 1550 CB SER A 100 -9.717 -23.461 -23.617 1.00 53.14 C ATOM 1551 OG SER A 100 -10.236 -24.330 -24.610 1.00 4.24 O ATOM 0 H SER A 100 -8.227 -22.953 -21.459 1.00 5.54 H new ATOM 0 HA SER A 100 -7.930 -24.627 -23.882 1.00 13.22 H new ATOM 0 HB2 SER A 100 -10.236 -23.631 -22.674 1.00 53.14 H new ATOM 0 HB3 SER A 100 -9.904 -22.426 -23.902 1.00 53.14 H new ATOM 0 HG SER A 100 -9.682 -24.274 -25.416 1.00 4.24 H new ATOM 1557 N PRO A 101 -6.341 -22.931 -24.788 1.00 31.03 N ATOM 1558 CA PRO A 101 -5.487 -21.974 -25.498 1.00 31.23 C ATOM 1559 C PRO A 101 -6.172 -21.388 -26.728 1.00 4.24 C ATOM 1560 O PRO A 101 -6.467 -22.101 -27.687 1.00 24.55 O ATOM 1561 CB PRO A 101 -4.277 -22.816 -25.910 1.00 31.34 C ATOM 1562 CG PRO A 101 -4.793 -24.212 -25.978 1.00 23.33 C ATOM 1563 CD PRO A 101 -5.853 -24.314 -24.916 1.00 71.45 C ATOM 0 HA PRO A 101 -5.234 -21.115 -24.877 1.00 31.23 H new ATOM 0 HB2 PRO A 101 -3.879 -22.494 -26.872 1.00 31.34 H new ATOM 0 HB3 PRO A 101 -3.468 -22.728 -25.185 1.00 31.34 H new ATOM 0 HG2 PRO A 101 -5.206 -24.428 -26.963 1.00 23.33 H new ATOM 0 HG3 PRO A 101 -3.994 -24.932 -25.802 1.00 23.33 H new ATOM 0 HD2 PRO A 101 -6.651 -24.996 -25.209 1.00 71.45 H new ATOM 0 HD3 PRO A 101 -5.445 -24.685 -23.976 1.00 71.45 H new ATOM 1571 N LYS A 102 -6.422 -20.083 -26.694 1.00 63.23 N ATOM 1572 CA LYS A 102 -7.070 -19.399 -27.807 1.00 30.31 C ATOM 1573 C LYS A 102 -6.657 -17.932 -27.858 1.00 51.24 C ATOM 1574 O LYS A 102 -5.989 -17.434 -26.953 1.00 22.21 O ATOM 1575 CB LYS A 102 -8.591 -19.508 -27.682 1.00 54.13 C ATOM 1576 CG LYS A 102 -9.134 -20.881 -28.039 1.00 54.23 C ATOM 1577 CD LYS A 102 -10.618 -20.991 -27.732 1.00 15.40 C ATOM 1578 CE LYS A 102 -10.952 -22.315 -27.062 1.00 54.32 C ATOM 1579 NZ LYS A 102 -12.416 -22.465 -26.829 1.00 44.02 N ATOM 0 H LYS A 102 -6.186 -19.478 -25.908 1.00 63.23 H new ATOM 0 HA LYS A 102 -6.752 -19.880 -28.732 1.00 30.31 H new ATOM 0 HB2 LYS A 102 -8.881 -19.266 -26.660 1.00 54.13 H new ATOM 0 HB3 LYS A 102 -9.055 -18.764 -28.329 1.00 54.13 H new ATOM 0 HG2 LYS A 102 -8.965 -21.076 -29.098 1.00 54.23 H new ATOM 0 HG3 LYS A 102 -8.589 -21.644 -27.484 1.00 54.23 H new ATOM 0 HD2 LYS A 102 -10.918 -20.168 -27.084 1.00 15.40 H new ATOM 0 HD3 LYS A 102 -11.190 -20.895 -28.655 1.00 15.40 H new ATOM 0 HE2 LYS A 102 -10.597 -23.137 -27.684 1.00 54.32 H new ATOM 0 HE3 LYS A 102 -10.424 -22.384 -26.111 1.00 54.32 H new ATOM 0 HZ1 LYS A 102 -12.603 -23.380 -26.371 1.00 44.02 H new ATOM 0 HZ2 LYS A 102 -12.750 -21.695 -26.215 1.00 44.02 H new ATOM 0 HZ3 LYS A 102 -12.918 -22.425 -27.739 1.00 44.02 H new ATOM 1593 N GLU A 103 -7.061 -17.245 -28.923 1.00 1.04 N ATOM 1594 CA GLU A 103 -6.732 -15.834 -29.090 1.00 74.21 C ATOM 1595 C GLU A 103 -7.896 -15.076 -29.721 1.00 53.25 C ATOM 1596 O GLU A 103 -8.270 -15.332 -30.866 1.00 73.40 O ATOM 1597 CB GLU A 103 -5.479 -15.679 -29.954 1.00 53.43 C ATOM 1598 CG GLU A 103 -5.512 -16.506 -31.228 1.00 40.14 C ATOM 1599 CD GLU A 103 -4.377 -16.165 -32.175 1.00 13.13 C ATOM 1600 OE1 GLU A 103 -4.196 -14.967 -32.477 1.00 23.10 O ATOM 1601 OE2 GLU A 103 -3.671 -17.097 -32.613 1.00 4.13 O ATOM 0 H GLU A 103 -7.616 -17.642 -29.681 1.00 1.04 H new ATOM 0 HA GLU A 103 -6.538 -15.412 -28.104 1.00 74.21 H new ATOM 0 HB2 GLU A 103 -5.356 -14.628 -30.216 1.00 53.43 H new ATOM 0 HB3 GLU A 103 -4.606 -15.965 -29.368 1.00 53.43 H new ATOM 0 HG2 GLU A 103 -5.460 -17.564 -30.971 1.00 40.14 H new ATOM 0 HG3 GLU A 103 -6.464 -16.347 -31.735 1.00 40.14 H new ATOM 1608 N ARG A 104 -8.465 -14.141 -28.967 1.00 20.44 N ATOM 1609 CA ARG A 104 -9.587 -13.347 -29.451 1.00 14.24 C ATOM 1610 C ARG A 104 -9.735 -12.063 -28.639 1.00 30.33 C ATOM 1611 O ARG A 104 -9.044 -11.866 -27.639 1.00 11.24 O ATOM 1612 CB ARG A 104 -10.882 -14.159 -29.381 1.00 51.42 C ATOM 1613 CG ARG A 104 -11.546 -14.363 -30.733 1.00 61.31 C ATOM 1614 CD ARG A 104 -12.545 -15.509 -30.695 1.00 53.12 C ATOM 1615 NE ARG A 104 -11.885 -16.811 -30.672 1.00 65.12 N ATOM 1616 CZ ARG A 104 -12.456 -17.917 -30.208 1.00 42.01 C ATOM 1617 NH1 ARG A 104 -13.692 -17.878 -29.732 1.00 34.54 N ATOM 1618 NH2 ARG A 104 -11.790 -19.065 -30.221 1.00 1.43 N ATOM 0 H ARG A 104 -8.167 -13.915 -28.018 1.00 20.44 H new ATOM 0 HA ARG A 104 -9.389 -13.080 -30.489 1.00 14.24 H new ATOM 0 HB2 ARG A 104 -10.667 -15.133 -28.940 1.00 51.42 H new ATOM 0 HB3 ARG A 104 -11.582 -13.655 -28.714 1.00 51.42 H new ATOM 0 HG2 ARG A 104 -12.054 -13.446 -31.032 1.00 61.31 H new ATOM 0 HG3 ARG A 104 -10.785 -14.567 -31.486 1.00 61.31 H new ATOM 0 HD2 ARG A 104 -13.178 -15.408 -29.814 1.00 53.12 H new ATOM 0 HD3 ARG A 104 -13.198 -15.449 -31.566 1.00 53.12 H new ATOM 0 HE ARG A 104 -10.933 -16.875 -31.032 1.00 65.12 H new ATOM 0 HH11 ARG A 104 -14.207 -16.998 -29.721 1.00 34.54 H new ATOM 0 HH12 ARG A 104 -14.129 -18.728 -29.376 1.00 34.54 H new ATOM 0 HH21 ARG A 104 -10.839 -19.099 -30.588 1.00 1.43 H new ATOM 0 HH22 ARG A 104 -12.229 -19.914 -29.864 1.00 1.43 H new ATOM 1632 N HIS A 105 -10.640 -11.193 -29.076 1.00 63.12 N ATOM 1633 CA HIS A 105 -10.878 -9.928 -28.390 1.00 33.30 C ATOM 1634 C HIS A 105 -11.150 -10.158 -26.906 1.00 75.04 C ATOM 1635 O HIS A 105 -11.179 -11.297 -26.440 1.00 71.31 O ATOM 1636 CB HIS A 105 -12.056 -9.192 -29.028 1.00 53.34 C ATOM 1637 CG HIS A 105 -11.972 -9.108 -30.521 1.00 72.15 C ATOM 1638 ND1 HIS A 105 -11.684 -7.940 -31.195 1.00 15.43 N ATOM 1639 CD2 HIS A 105 -12.138 -10.057 -31.472 1.00 72.21 C ATOM 1640 CE1 HIS A 105 -11.679 -8.173 -32.495 1.00 21.20 C ATOM 1641 NE2 HIS A 105 -11.951 -9.451 -32.690 1.00 10.11 N ATOM 0 H HIS A 105 -11.220 -11.341 -29.902 1.00 63.12 H new ATOM 0 HA HIS A 105 -9.981 -9.316 -28.487 1.00 33.30 H new ATOM 0 HB2 HIS A 105 -12.982 -9.697 -28.752 1.00 53.34 H new ATOM 0 HB3 HIS A 105 -12.109 -8.183 -28.618 1.00 53.34 H new ATOM 0 HD2 HIS A 105 -12.374 -11.097 -31.304 1.00 72.21 H new ATOM 0 HE1 HIS A 105 -11.486 -7.443 -33.267 1.00 21.20 H new ATOM 0 HE2 HIS A 105 -12.012 -9.912 -33.598 1.00 10.11 H new ATOM 1649 N ILE A 106 -11.349 -9.069 -26.171 1.00 23.42 N ATOM 1650 CA ILE A 106 -11.619 -9.153 -24.741 1.00 24.12 C ATOM 1651 C ILE A 106 -12.292 -7.883 -24.233 1.00 42.52 C ATOM 1652 O ILE A 106 -12.153 -6.814 -24.829 1.00 74.14 O ATOM 1653 CB ILE A 106 -10.327 -9.392 -23.937 1.00 63.32 C ATOM 1654 CG1 ILE A 106 -9.101 -9.215 -24.836 1.00 10.03 C ATOM 1655 CG2 ILE A 106 -10.339 -10.781 -23.316 1.00 63.34 C ATOM 1656 CD1 ILE A 106 -7.840 -8.866 -24.076 1.00 14.20 C ATOM 0 H ILE A 106 -11.328 -8.119 -26.542 1.00 23.42 H new ATOM 0 HA ILE A 106 -12.290 -10.000 -24.596 1.00 24.12 H new ATOM 0 HB ILE A 106 -10.275 -8.657 -23.134 1.00 63.32 H new ATOM 0 HG12 ILE A 106 -8.935 -10.135 -25.396 1.00 10.03 H new ATOM 0 HG13 ILE A 106 -9.305 -8.431 -25.565 1.00 10.03 H new ATOM 0 HG21 ILE A 106 -9.420 -10.935 -22.751 1.00 63.34 H new ATOM 0 HG22 ILE A 106 -11.195 -10.873 -22.648 1.00 63.34 H new ATOM 0 HG23 ILE A 106 -10.411 -11.531 -24.104 1.00 63.34 H new ATOM 0 HD11 ILE A 106 -7.012 -8.756 -24.776 1.00 14.20 H new ATOM 0 HD12 ILE A 106 -7.987 -7.930 -23.538 1.00 14.20 H new ATOM 0 HD13 ILE A 106 -7.611 -9.661 -23.366 1.00 14.20 H new ATOM 1668 N ILE A 107 -13.019 -8.006 -23.128 1.00 72.01 N ATOM 1669 CA ILE A 107 -13.711 -6.867 -22.539 1.00 14.25 C ATOM 1670 C ILE A 107 -13.304 -6.670 -21.082 1.00 54.12 C ATOM 1671 O ILE A 107 -13.400 -7.590 -20.270 1.00 3.13 O ATOM 1672 CB ILE A 107 -15.240 -7.036 -22.614 1.00 73.41 C ATOM 1673 CG1 ILE A 107 -15.625 -7.843 -23.856 1.00 50.32 C ATOM 1674 CG2 ILE A 107 -15.924 -5.677 -22.625 1.00 60.35 C ATOM 1675 CD1 ILE A 107 -15.988 -9.280 -23.555 1.00 55.20 C ATOM 0 H ILE A 107 -13.144 -8.883 -22.623 1.00 72.01 H new ATOM 0 HA ILE A 107 -13.422 -5.989 -23.117 1.00 14.25 H new ATOM 0 HB ILE A 107 -15.574 -7.581 -21.731 1.00 73.41 H new ATOM 0 HG12 ILE A 107 -16.469 -7.359 -24.347 1.00 50.32 H new ATOM 0 HG13 ILE A 107 -14.794 -7.827 -24.562 1.00 50.32 H new ATOM 0 HG21 ILE A 107 -17.004 -5.814 -22.678 1.00 60.35 H new ATOM 0 HG22 ILE A 107 -15.671 -5.135 -21.714 1.00 60.35 H new ATOM 0 HG23 ILE A 107 -15.587 -5.107 -23.491 1.00 60.35 H new ATOM 0 HD11 ILE A 107 -16.250 -9.791 -24.482 1.00 55.20 H new ATOM 0 HD12 ILE A 107 -15.138 -9.781 -23.092 1.00 55.20 H new ATOM 0 HD13 ILE A 107 -16.839 -9.305 -22.874 1.00 55.20 H new ATOM 1687 N VAL A 108 -12.852 -5.463 -20.758 1.00 4.20 N ATOM 1688 CA VAL A 108 -12.433 -5.143 -19.399 1.00 23.25 C ATOM 1689 C VAL A 108 -12.973 -3.786 -18.962 1.00 22.12 C ATOM 1690 O VAL A 108 -13.395 -2.979 -19.789 1.00 73.33 O ATOM 1691 CB VAL A 108 -10.898 -5.138 -19.271 1.00 3.12 C ATOM 1692 CG1 VAL A 108 -10.395 -6.499 -18.815 1.00 0.04 C ATOM 1693 CG2 VAL A 108 -10.255 -4.738 -20.590 1.00 52.14 C ATOM 0 H VAL A 108 -12.767 -4.690 -21.418 1.00 4.20 H new ATOM 0 HA VAL A 108 -12.842 -5.919 -18.751 1.00 23.25 H new ATOM 0 HB VAL A 108 -10.616 -4.402 -18.518 1.00 3.12 H new ATOM 0 HG11 VAL A 108 -9.309 -6.476 -18.730 1.00 0.04 H new ATOM 0 HG12 VAL A 108 -10.829 -6.741 -17.845 1.00 0.04 H new ATOM 0 HG13 VAL A 108 -10.686 -7.257 -19.542 1.00 0.04 H new ATOM 0 HG21 VAL A 108 -9.170 -4.740 -20.481 1.00 52.14 H new ATOM 0 HG22 VAL A 108 -10.543 -5.448 -21.365 1.00 52.14 H new ATOM 0 HG23 VAL A 108 -10.590 -3.739 -20.870 1.00 52.14 H new ATOM 1703 N ALA A 109 -12.955 -3.541 -17.656 1.00 13.13 N ATOM 1704 CA ALA A 109 -13.441 -2.280 -17.109 1.00 21.24 C ATOM 1705 C ALA A 109 -12.290 -1.432 -16.579 1.00 23.03 C ATOM 1706 O ALA A 109 -11.772 -1.681 -15.489 1.00 50.54 O ATOM 1707 CB ALA A 109 -14.458 -2.540 -16.007 1.00 52.23 C ATOM 0 H ALA A 109 -12.609 -4.199 -16.957 1.00 13.13 H new ATOM 0 HA ALA A 109 -13.926 -1.726 -17.913 1.00 21.24 H new ATOM 0 HB1 ALA A 109 -14.813 -1.590 -15.608 1.00 52.23 H new ATOM 0 HB2 ALA A 109 -15.300 -3.099 -16.414 1.00 52.23 H new ATOM 0 HB3 ALA A 109 -13.991 -3.117 -15.209 1.00 52.23 H new ATOM 1713 N CYS A 110 -11.893 -0.430 -17.356 1.00 24.11 N ATOM 1714 CA CYS A 110 -10.802 0.455 -16.966 1.00 24.21 C ATOM 1715 C CYS A 110 -11.338 1.717 -16.296 1.00 23.43 C ATOM 1716 O CYS A 110 -12.438 2.174 -16.603 1.00 3.41 O ATOM 1717 CB CYS A 110 -9.961 0.831 -18.187 1.00 43.05 C ATOM 1718 SG CYS A 110 -10.818 0.604 -19.779 1.00 12.43 S ATOM 0 H CYS A 110 -12.311 -0.210 -18.260 1.00 24.11 H new ATOM 0 HA CYS A 110 -10.175 -0.077 -16.251 1.00 24.21 H new ATOM 0 HB2 CYS A 110 -9.655 1.873 -18.097 1.00 43.05 H new ATOM 0 HB3 CYS A 110 -9.051 0.230 -18.187 1.00 43.05 H new ATOM 1723 N GLU A 111 -10.552 2.273 -15.379 1.00 63.30 N ATOM 1724 CA GLU A 111 -10.948 3.481 -14.665 1.00 71.13 C ATOM 1725 C GLU A 111 -9.766 4.076 -13.905 1.00 34.12 C ATOM 1726 O GLU A 111 -8.667 3.523 -13.913 1.00 52.50 O ATOM 1727 CB GLU A 111 -12.091 3.175 -13.695 1.00 52.13 C ATOM 1728 CG GLU A 111 -12.930 4.391 -13.340 1.00 50.33 C ATOM 1729 CD GLU A 111 -14.414 4.155 -13.542 1.00 13.23 C ATOM 1730 OE1 GLU A 111 -15.034 3.499 -12.678 1.00 42.45 O ATOM 1731 OE2 GLU A 111 -14.956 4.627 -14.563 1.00 51.04 O ATOM 0 H GLU A 111 -9.638 1.906 -15.113 1.00 63.30 H new ATOM 0 HA GLU A 111 -11.290 4.211 -15.399 1.00 71.13 H new ATOM 0 HB2 GLU A 111 -12.736 2.415 -14.135 1.00 52.13 H new ATOM 0 HB3 GLU A 111 -11.676 2.751 -12.781 1.00 52.13 H new ATOM 0 HG2 GLU A 111 -12.747 4.663 -12.300 1.00 50.33 H new ATOM 0 HG3 GLU A 111 -12.614 5.237 -13.951 1.00 50.33 H new ATOM 1738 N GLY A 112 -10.002 5.208 -13.248 1.00 72.20 N ATOM 1739 CA GLY A 112 -8.949 5.860 -12.492 1.00 41.24 C ATOM 1740 C GLY A 112 -8.085 6.756 -13.357 1.00 43.32 C ATOM 1741 O GLY A 112 -8.577 7.393 -14.289 1.00 4.13 O ATOM 0 H GLY A 112 -10.903 5.685 -13.226 1.00 72.20 H new ATOM 0 HA2 GLY A 112 -9.393 6.452 -11.692 1.00 41.24 H new ATOM 0 HA3 GLY A 112 -8.323 5.103 -12.019 1.00 41.24 H new ATOM 1745 N SER A 113 -6.793 6.808 -13.048 1.00 20.41 N ATOM 1746 CA SER A 113 -5.859 7.637 -13.801 1.00 31.15 C ATOM 1747 C SER A 113 -4.429 7.134 -13.632 1.00 5.11 C ATOM 1748 O SER A 113 -3.908 7.026 -12.521 1.00 50.34 O ATOM 1749 CB SER A 113 -5.957 9.094 -13.345 1.00 4.11 C ATOM 1750 OG SER A 113 -5.273 9.955 -14.239 1.00 72.14 O ATOM 0 H SER A 113 -6.369 6.286 -12.281 1.00 20.41 H new ATOM 0 HA SER A 113 -6.125 7.575 -14.856 1.00 31.15 H new ATOM 0 HB2 SER A 113 -7.004 9.389 -13.281 1.00 4.11 H new ATOM 0 HB3 SER A 113 -5.536 9.194 -12.345 1.00 4.11 H new ATOM 0 HG SER A 113 -5.352 10.881 -13.927 1.00 72.14 H new ATOM 1756 N PRO A 114 -3.776 6.818 -14.761 1.00 14.43 N ATOM 1757 CA PRO A 114 -4.386 6.942 -16.088 1.00 61.11 C ATOM 1758 C PRO A 114 -5.486 5.911 -16.319 1.00 44.22 C ATOM 1759 O PRO A 114 -5.798 5.113 -15.435 1.00 3.21 O ATOM 1760 CB PRO A 114 -3.214 6.696 -17.041 1.00 64.21 C ATOM 1761 CG PRO A 114 -2.255 5.868 -16.257 1.00 31.03 C ATOM 1762 CD PRO A 114 -2.394 6.316 -14.828 1.00 22.11 C ATOM 0 HA PRO A 114 -4.870 7.909 -16.226 1.00 61.11 H new ATOM 0 HB2 PRO A 114 -3.539 6.177 -17.943 1.00 64.21 H new ATOM 0 HB3 PRO A 114 -2.759 7.634 -17.359 1.00 64.21 H new ATOM 0 HG2 PRO A 114 -2.483 4.807 -16.357 1.00 31.03 H new ATOM 0 HG3 PRO A 114 -1.235 6.010 -16.613 1.00 31.03 H new ATOM 0 HD2 PRO A 114 -2.231 5.494 -14.131 1.00 22.11 H new ATOM 0 HD3 PRO A 114 -1.672 7.093 -14.578 1.00 22.11 H new ATOM 1770 N TYR A 115 -6.069 5.933 -17.512 1.00 52.12 N ATOM 1771 CA TYR A 115 -7.136 5.001 -17.859 1.00 1.34 C ATOM 1772 C TYR A 115 -6.578 3.603 -18.109 1.00 13.43 C ATOM 1773 O TYR A 115 -6.020 3.326 -19.170 1.00 24.30 O ATOM 1774 CB TYR A 115 -7.888 5.492 -19.097 1.00 62.31 C ATOM 1775 CG TYR A 115 -9.385 5.579 -18.901 1.00 45.54 C ATOM 1776 CD1 TYR A 115 -9.923 6.026 -17.701 1.00 2.41 C ATOM 1777 CD2 TYR A 115 -10.260 5.215 -19.916 1.00 74.43 C ATOM 1778 CE1 TYR A 115 -11.290 6.108 -17.517 1.00 64.32 C ATOM 1779 CE2 TYR A 115 -11.628 5.294 -19.742 1.00 55.10 C ATOM 1780 CZ TYR A 115 -12.138 5.741 -18.541 1.00 32.12 C ATOM 1781 OH TYR A 115 -13.500 5.820 -18.363 1.00 14.02 O ATOM 0 H TYR A 115 -5.821 6.586 -18.255 1.00 52.12 H new ATOM 0 HA TYR A 115 -7.828 4.951 -17.018 1.00 1.34 H new ATOM 0 HB2 TYR A 115 -7.509 6.475 -19.376 1.00 62.31 H new ATOM 0 HB3 TYR A 115 -7.677 4.821 -19.930 1.00 62.31 H new ATOM 0 HD1 TYR A 115 -9.261 6.315 -16.898 1.00 2.41 H new ATOM 0 HD2 TYR A 115 -9.864 4.864 -20.858 1.00 74.43 H new ATOM 0 HE1 TYR A 115 -11.692 6.457 -16.577 1.00 64.32 H new ATOM 0 HE2 TYR A 115 -12.295 5.007 -20.542 1.00 55.10 H new ATOM 0 HH TYR A 115 -13.954 5.378 -19.111 1.00 14.02 H new ATOM 1791 N VAL A 116 -6.735 2.726 -17.123 1.00 30.33 N ATOM 1792 CA VAL A 116 -6.250 1.355 -17.235 1.00 3.43 C ATOM 1793 C VAL A 116 -7.291 0.361 -16.733 1.00 42.01 C ATOM 1794 O VAL A 116 -8.154 0.686 -15.917 1.00 42.25 O ATOM 1795 CB VAL A 116 -4.943 1.156 -16.444 1.00 40.50 C ATOM 1796 CG1 VAL A 116 -4.096 2.419 -16.485 1.00 52.32 C ATOM 1797 CG2 VAL A 116 -5.245 0.754 -15.008 1.00 54.05 C ATOM 0 H VAL A 116 -7.194 2.940 -16.238 1.00 30.33 H new ATOM 0 HA VAL A 116 -6.058 1.172 -18.292 1.00 3.43 H new ATOM 0 HB VAL A 116 -4.376 0.351 -16.911 1.00 40.50 H new ATOM 0 HG11 VAL A 116 -3.177 2.259 -15.921 1.00 52.32 H new ATOM 0 HG12 VAL A 116 -3.850 2.659 -17.519 1.00 52.32 H new ATOM 0 HG13 VAL A 116 -4.653 3.245 -16.044 1.00 52.32 H new ATOM 0 HG21 VAL A 116 -4.310 0.618 -14.464 1.00 54.05 H new ATOM 0 HG22 VAL A 116 -5.834 1.535 -14.528 1.00 54.05 H new ATOM 0 HG23 VAL A 116 -5.808 -0.180 -15.002 1.00 54.05 H new ATOM 1807 N PRO A 117 -7.210 -0.882 -17.231 1.00 2.12 N ATOM 1808 CA PRO A 117 -8.137 -1.951 -16.846 1.00 44.53 C ATOM 1809 C PRO A 117 -7.929 -2.408 -15.407 1.00 23.14 C ATOM 1810 O PRO A 117 -6.843 -2.854 -15.037 1.00 65.52 O ATOM 1811 CB PRO A 117 -7.798 -3.081 -17.821 1.00 32.31 C ATOM 1812 CG PRO A 117 -6.382 -2.833 -18.212 1.00 32.31 C ATOM 1813 CD PRO A 117 -6.207 -1.340 -18.207 1.00 3.13 C ATOM 0 HA PRO A 117 -9.176 -1.626 -16.893 1.00 44.53 H new ATOM 0 HB2 PRO A 117 -7.913 -4.057 -17.351 1.00 32.31 H new ATOM 0 HB3 PRO A 117 -8.457 -3.066 -18.689 1.00 32.31 H new ATOM 0 HG2 PRO A 117 -5.695 -3.309 -17.512 1.00 32.31 H new ATOM 0 HG3 PRO A 117 -6.171 -3.247 -19.198 1.00 32.31 H new ATOM 0 HD2 PRO A 117 -5.198 -1.055 -17.910 1.00 3.13 H new ATOM 0 HD3 PRO A 117 -6.382 -0.912 -19.194 1.00 3.13 H new ATOM 1821 N VAL A 118 -8.977 -2.295 -14.597 1.00 50.42 N ATOM 1822 CA VAL A 118 -8.910 -2.698 -13.198 1.00 24.22 C ATOM 1823 C VAL A 118 -9.889 -3.829 -12.904 1.00 61.12 C ATOM 1824 O VAL A 118 -10.071 -4.224 -11.752 1.00 0.10 O ATOM 1825 CB VAL A 118 -9.211 -1.516 -12.258 1.00 23.15 C ATOM 1826 CG1 VAL A 118 -8.205 -0.395 -12.470 1.00 52.33 C ATOM 1827 CG2 VAL A 118 -10.632 -1.016 -12.469 1.00 62.21 C ATOM 0 H VAL A 118 -9.883 -1.927 -14.886 1.00 50.42 H new ATOM 0 HA VAL A 118 -7.893 -3.046 -13.018 1.00 24.22 H new ATOM 0 HB VAL A 118 -9.121 -1.862 -11.228 1.00 23.15 H new ATOM 0 HG11 VAL A 118 -8.434 0.431 -11.797 1.00 52.33 H new ATOM 0 HG12 VAL A 118 -7.200 -0.764 -12.263 1.00 52.33 H new ATOM 0 HG13 VAL A 118 -8.259 -0.048 -13.502 1.00 52.33 H new ATOM 0 HG21 VAL A 118 -10.827 -0.181 -11.797 1.00 62.21 H new ATOM 0 HG22 VAL A 118 -10.752 -0.687 -13.501 1.00 62.21 H new ATOM 0 HG23 VAL A 118 -11.336 -1.822 -12.261 1.00 62.21 H new ATOM 1837 N HIS A 119 -10.518 -4.348 -13.954 1.00 44.23 N ATOM 1838 CA HIS A 119 -11.479 -5.435 -13.810 1.00 22.35 C ATOM 1839 C HIS A 119 -11.641 -6.195 -15.123 1.00 32.25 C ATOM 1840 O HIS A 119 -11.751 -5.593 -16.191 1.00 11.13 O ATOM 1841 CB HIS A 119 -12.832 -4.891 -13.351 1.00 41.42 C ATOM 1842 CG HIS A 119 -14.001 -5.596 -13.967 1.00 30.05 C ATOM 1843 ND1 HIS A 119 -14.917 -6.318 -13.231 1.00 24.33 N ATOM 1844 CD2 HIS A 119 -14.402 -5.686 -15.256 1.00 54.41 C ATOM 1845 CE1 HIS A 119 -15.830 -6.823 -14.041 1.00 64.12 C ATOM 1846 NE2 HIS A 119 -15.541 -6.453 -15.276 1.00 23.51 N ATOM 0 H HIS A 119 -10.379 -4.033 -14.914 1.00 44.23 H new ATOM 0 HA HIS A 119 -11.099 -6.125 -13.056 1.00 22.35 H new ATOM 0 HB2 HIS A 119 -12.899 -4.974 -12.266 1.00 41.42 H new ATOM 0 HB3 HIS A 119 -12.889 -3.830 -13.594 1.00 41.42 H new ATOM 0 HD1 HIS A 119 -14.893 -6.443 -12.219 1.00 24.33 H new ATOM 0 HD2 HIS A 119 -13.917 -5.238 -16.110 1.00 54.41 H new ATOM 0 HE1 HIS A 119 -16.670 -7.434 -13.744 1.00 64.12 H new ATOM 1854 N PHE A 120 -11.655 -7.521 -15.035 1.00 62.24 N ATOM 1855 CA PHE A 120 -11.802 -8.363 -16.217 1.00 21.53 C ATOM 1856 C PHE A 120 -13.222 -8.911 -16.321 1.00 33.35 C ATOM 1857 O PHE A 120 -13.773 -9.428 -15.348 1.00 5.11 O ATOM 1858 CB PHE A 120 -10.800 -9.519 -16.174 1.00 5.35 C ATOM 1859 CG PHE A 120 -10.353 -9.976 -17.533 1.00 2.23 C ATOM 1860 CD1 PHE A 120 -11.233 -10.625 -18.384 1.00 3.13 C ATOM 1861 CD2 PHE A 120 -9.053 -9.756 -17.960 1.00 11.14 C ATOM 1862 CE1 PHE A 120 -10.824 -11.047 -19.635 1.00 21.35 C ATOM 1863 CE2 PHE A 120 -8.639 -10.176 -19.210 1.00 4.43 C ATOM 1864 CZ PHE A 120 -9.526 -10.821 -20.049 1.00 24.35 C ATOM 0 H PHE A 120 -11.566 -8.035 -14.159 1.00 62.24 H new ATOM 0 HA PHE A 120 -11.602 -7.750 -17.096 1.00 21.53 H new ATOM 0 HB2 PHE A 120 -9.927 -9.212 -15.598 1.00 5.35 H new ATOM 0 HB3 PHE A 120 -11.250 -10.360 -15.647 1.00 5.35 H new ATOM 0 HD1 PHE A 120 -12.250 -10.803 -18.066 1.00 3.13 H new ATOM 0 HD2 PHE A 120 -8.355 -9.251 -17.309 1.00 11.14 H new ATOM 0 HE1 PHE A 120 -11.519 -11.553 -20.288 1.00 21.35 H new ATOM 0 HE2 PHE A 120 -7.623 -10.000 -19.530 1.00 4.43 H new ATOM 0 HZ PHE A 120 -9.205 -11.148 -21.027 1.00 24.35 H new ATOM 1874 N ASP A 121 -13.810 -8.794 -17.506 1.00 42.11 N ATOM 1875 CA ASP A 121 -15.166 -9.277 -17.739 1.00 21.23 C ATOM 1876 C ASP A 121 -15.147 -10.655 -18.393 1.00 61.11 C ATOM 1877 O ASP A 121 -15.400 -11.667 -17.740 1.00 2.21 O ATOM 1878 CB ASP A 121 -15.938 -8.292 -18.618 1.00 3.12 C ATOM 1879 CG ASP A 121 -16.951 -7.485 -17.831 1.00 11.44 C ATOM 1880 OD1 ASP A 121 -17.287 -7.895 -16.700 1.00 72.34 O ATOM 1881 OD2 ASP A 121 -17.409 -6.443 -18.345 1.00 42.42 O ATOM 0 H ASP A 121 -13.369 -8.368 -18.321 1.00 42.11 H new ATOM 0 HA ASP A 121 -15.666 -9.359 -16.774 1.00 21.23 H new ATOM 0 HB2 ASP A 121 -15.235 -7.614 -19.103 1.00 3.12 H new ATOM 0 HB3 ASP A 121 -16.450 -8.840 -19.409 1.00 3.12 H new ATOM 1886 N ALA A 122 -14.846 -10.686 -19.687 1.00 55.34 N ATOM 1887 CA ALA A 122 -14.794 -11.939 -20.430 1.00 4.12 C ATOM 1888 C ALA A 122 -14.242 -11.722 -21.835 1.00 15.30 C ATOM 1889 O ALA A 122 -14.111 -10.586 -22.292 1.00 34.30 O ATOM 1890 CB ALA A 122 -16.175 -12.573 -20.495 1.00 14.51 C ATOM 0 H ALA A 122 -14.634 -9.857 -20.243 1.00 55.34 H new ATOM 0 HA ALA A 122 -14.121 -12.616 -19.904 1.00 4.12 H new ATOM 0 HB1 ALA A 122 -16.120 -13.508 -21.053 1.00 14.51 H new ATOM 0 HB2 ALA A 122 -16.531 -12.774 -19.485 1.00 14.51 H new ATOM 0 HB3 ALA A 122 -16.865 -11.892 -20.994 1.00 14.51 H new ATOM 1896 N SER A 123 -13.920 -12.817 -22.515 1.00 75.33 N ATOM 1897 CA SER A 123 -13.379 -12.746 -23.867 1.00 41.13 C ATOM 1898 C SER A 123 -14.498 -12.791 -24.904 1.00 3.13 C ATOM 1899 O SER A 123 -15.501 -13.480 -24.722 1.00 31.44 O ATOM 1900 CB SER A 123 -12.399 -13.896 -24.108 1.00 43.32 C ATOM 1901 OG SER A 123 -12.980 -15.142 -23.765 1.00 50.32 O ATOM 0 H SER A 123 -14.024 -13.764 -22.152 1.00 75.33 H new ATOM 0 HA SER A 123 -12.850 -11.799 -23.970 1.00 41.13 H new ATOM 0 HB2 SER A 123 -12.098 -13.908 -25.156 1.00 43.32 H new ATOM 0 HB3 SER A 123 -11.496 -13.738 -23.519 1.00 43.32 H new ATOM 0 HG SER A 123 -12.334 -15.860 -23.930 1.00 50.32 H new ATOM 1907 N VAL A 124 -14.317 -12.050 -25.993 1.00 32.04 N ATOM 1908 CA VAL A 124 -15.310 -12.005 -27.060 1.00 24.13 C ATOM 1909 C VAL A 124 -15.114 -13.155 -28.041 1.00 64.03 C ATOM 1910 O VAL A 124 -14.195 -13.960 -27.893 1.00 33.43 O ATOM 1911 CB VAL A 124 -15.247 -10.672 -27.829 1.00 0.03 C ATOM 1912 CG1 VAL A 124 -16.634 -10.260 -28.297 1.00 12.43 C ATOM 1913 CG2 VAL A 124 -14.623 -9.587 -26.964 1.00 22.42 C ATOM 0 H VAL A 124 -13.492 -11.473 -26.159 1.00 32.04 H new ATOM 0 HA VAL A 124 -16.288 -12.097 -26.587 1.00 24.13 H new ATOM 0 HB VAL A 124 -14.619 -10.809 -28.709 1.00 0.03 H new ATOM 0 HG11 VAL A 124 -16.570 -9.316 -28.838 1.00 12.43 H new ATOM 0 HG12 VAL A 124 -17.039 -11.029 -28.955 1.00 12.43 H new ATOM 0 HG13 VAL A 124 -17.288 -10.139 -27.434 1.00 12.43 H new ATOM 0 HG21 VAL A 124 -14.586 -8.652 -27.523 1.00 22.42 H new ATOM 0 HG22 VAL A 124 -15.223 -9.449 -26.065 1.00 22.42 H new ATOM 0 HG23 VAL A 124 -13.612 -9.882 -26.684 1.00 22.42 H new ATOM 1923 N GLU A 125 -15.983 -13.224 -29.045 1.00 31.35 N ATOM 1924 CA GLU A 125 -15.905 -14.277 -30.051 1.00 10.22 C ATOM 1925 C GLU A 125 -15.656 -13.688 -31.436 1.00 41.52 C ATOM 1926 O GLU A 125 -15.070 -14.337 -32.303 1.00 35.23 O ATOM 1927 CB GLU A 125 -17.194 -15.101 -30.059 1.00 61.44 C ATOM 1928 CG GLU A 125 -16.960 -16.595 -30.213 1.00 0.13 C ATOM 1929 CD GLU A 125 -18.152 -17.421 -29.768 1.00 44.33 C ATOM 1930 OE1 GLU A 125 -19.268 -17.168 -30.267 1.00 32.23 O ATOM 1931 OE2 GLU A 125 -17.967 -18.320 -28.922 1.00 24.13 O ATOM 0 H GLU A 125 -16.748 -12.564 -29.183 1.00 31.35 H new ATOM 0 HA GLU A 125 -15.068 -14.927 -29.796 1.00 10.22 H new ATOM 0 HB2 GLU A 125 -17.737 -14.920 -29.131 1.00 61.44 H new ATOM 0 HB3 GLU A 125 -17.831 -14.756 -30.873 1.00 61.44 H new ATOM 0 HG2 GLU A 125 -16.737 -16.818 -31.256 1.00 0.13 H new ATOM 0 HG3 GLU A 125 -16.085 -16.884 -29.631 1.00 0.13 H new