USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 935 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 80 THR OG1 : rot 180:sc= -0.0118 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= -0.215 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.382 K(o=-0.38,f=0.42) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.202 (180deg=-1.38) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.25 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc=-0.00253 X(o=-0.0025,f=-0.0025) USER MOD Single : A 17 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.9!) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.47 (180deg=1.08) USER MOD Single : A 28 GLN : amide:sc= 0.288 K(o=0.29,f=-6.4!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00768) USER MOD Single : A 36 SER OG : rot 61:sc= -0.249 USER MOD Single : A 42 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.48) USER MOD Single : A 46 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.91) USER MOD Single : A 51 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.0054) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.502 (180deg=-0.0415) USER MOD Single : A 53 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.59) USER MOD Single : A 56 HIS : no HD1:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -114:sc= 1.09 (180deg=0.0906) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 35:sc= 0.105 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.689 X(o=-0.69,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -2:sc= 0.778 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.043) USER MOD Single : A 88 THR OG1 : rot 162:sc= 0.0683 USER MOD Single : A 89 THR OG1 : rot -26:sc= 0.0258 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -80:sc= -0.0942 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= 0.215 K(o=0.21,f=-0.76) USER MOD Single : A 116 HIS : no HE2:sc= 0.123 K(o=0.12,f=-0.51) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HE2:sc= 0.0629 K(o=0.063,f=-0.59) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.772 -16.652 -3.819 1.00 4.53 N ATOM 2 CA MET A 1 3.626 -15.656 -4.503 1.00 34.34 C ATOM 3 C MET A 1 5.065 -15.742 -3.943 1.00 54.32 C ATOM 4 O MET A 1 5.347 -15.217 -2.861 1.00 1.41 O ATOM 5 CB MET A 1 3.036 -14.229 -4.302 1.00 73.35 C ATOM 6 CG MET A 1 3.754 -13.101 -5.063 1.00 14.10 C ATOM 7 SD MET A 1 3.560 -13.220 -6.858 1.00 63.24 S ATOM 8 CE MET A 1 4.185 -11.622 -7.401 1.00 75.34 C ATOM 0 H1 MET A 1 1.775 -16.474 -4.054 1.00 4.53 H new ATOM 0 H2 MET A 1 3.036 -17.608 -4.131 1.00 4.53 H new ATOM 0 H3 MET A 1 2.904 -16.575 -2.790 1.00 4.53 H new ATOM 0 HA MET A 1 3.655 -15.866 -5.572 1.00 34.34 H new ATOM 0 HB2 MET A 1 1.990 -14.241 -4.608 1.00 73.35 H new ATOM 0 HB3 MET A 1 3.054 -13.994 -3.238 1.00 73.35 H new ATOM 0 HG2 MET A 1 3.368 -12.140 -4.725 1.00 14.10 H new ATOM 0 HG3 MET A 1 4.815 -13.123 -4.816 1.00 14.10 H new ATOM 0 HE1 MET A 1 4.542 -11.701 -8.428 1.00 75.34 H new ATOM 0 HE2 MET A 1 3.386 -10.882 -7.350 1.00 75.34 H new ATOM 0 HE3 MET A 1 5.007 -11.314 -6.754 1.00 75.34 H new ATOM 20 N GLN A 2 5.953 -16.445 -4.668 1.00 73.51 N ATOM 21 CA GLN A 2 7.380 -16.591 -4.284 1.00 41.33 C ATOM 22 C GLN A 2 8.186 -15.312 -4.603 1.00 11.02 C ATOM 23 O GLN A 2 9.255 -15.083 -4.023 1.00 44.10 O ATOM 24 CB GLN A 2 7.999 -17.831 -4.988 1.00 72.44 C ATOM 25 CG GLN A 2 8.009 -17.772 -6.530 1.00 10.24 C ATOM 26 CD GLN A 2 8.526 -19.056 -7.194 1.00 30.34 C ATOM 27 OE1 GLN A 2 8.380 -20.159 -6.659 1.00 44.32 O ATOM 28 NE2 GLN A 2 9.118 -18.931 -8.367 1.00 1.02 N ATOM 0 H GLN A 2 5.710 -16.928 -5.533 1.00 73.51 H new ATOM 0 HA GLN A 2 7.428 -16.742 -3.206 1.00 41.33 H new ATOM 0 HB2 GLN A 2 9.024 -17.954 -4.638 1.00 72.44 H new ATOM 0 HB3 GLN A 2 7.448 -18.718 -4.678 1.00 72.44 H new ATOM 0 HG2 GLN A 2 6.997 -17.573 -6.884 1.00 10.24 H new ATOM 0 HG3 GLN A 2 8.629 -16.934 -6.849 1.00 10.24 H new ATOM 0 HE21 GLN A 2 9.226 -18.008 -8.788 1.00 1.02 H new ATOM 0 HE22 GLN A 2 9.467 -19.757 -8.853 1.00 1.02 H new ATOM 37 N ASP A 3 7.655 -14.487 -5.526 1.00 14.43 N ATOM 38 CA ASP A 3 8.225 -13.172 -5.871 1.00 51.54 C ATOM 39 C ASP A 3 7.819 -12.139 -4.803 1.00 22.21 C ATOM 40 O ASP A 3 6.968 -11.281 -5.035 1.00 33.34 O ATOM 41 CB ASP A 3 7.771 -12.734 -7.290 1.00 51.10 C ATOM 42 CG ASP A 3 8.326 -13.635 -8.400 1.00 44.45 C ATOM 43 OD1 ASP A 3 7.610 -14.542 -8.874 1.00 31.30 O ATOM 44 OD2 ASP A 3 9.496 -13.452 -8.797 1.00 63.14 O ATOM 0 H ASP A 3 6.814 -14.716 -6.056 1.00 14.43 H new ATOM 0 HA ASP A 3 9.313 -13.242 -5.887 1.00 51.54 H new ATOM 0 HB2 ASP A 3 6.682 -12.740 -7.335 1.00 51.10 H new ATOM 0 HB3 ASP A 3 8.092 -11.708 -7.468 1.00 51.10 H new ATOM 49 N ILE A 4 8.451 -12.271 -3.627 1.00 24.21 N ATOM 50 CA ILE A 4 8.127 -11.516 -2.397 1.00 13.05 C ATOM 51 C ILE A 4 8.480 -10.011 -2.515 1.00 63.54 C ATOM 52 O ILE A 4 7.697 -9.154 -2.069 1.00 12.53 O ATOM 53 CB ILE A 4 8.866 -12.186 -1.162 1.00 35.13 C ATOM 54 CG1 ILE A 4 8.270 -13.607 -0.849 1.00 50.13 C ATOM 55 CG2 ILE A 4 8.852 -11.292 0.099 1.00 24.22 C ATOM 56 CD1 ILE A 4 6.813 -13.622 -0.381 1.00 35.33 C ATOM 0 H ILE A 4 9.224 -12.923 -3.497 1.00 24.21 H new ATOM 0 HA ILE A 4 7.049 -11.561 -2.244 1.00 13.05 H new ATOM 0 HB ILE A 4 9.910 -12.304 -1.452 1.00 35.13 H new ATOM 0 HG12 ILE A 4 8.352 -14.222 -1.746 1.00 50.13 H new ATOM 0 HG13 ILE A 4 8.885 -14.079 -0.082 1.00 50.13 H new ATOM 0 HG21 ILE A 4 9.371 -11.801 0.911 1.00 24.22 H new ATOM 0 HG22 ILE A 4 9.354 -10.349 -0.118 1.00 24.22 H new ATOM 0 HG23 ILE A 4 7.821 -11.095 0.394 1.00 24.22 H new ATOM 0 HD11 ILE A 4 6.502 -14.650 -0.193 1.00 35.33 H new ATOM 0 HD12 ILE A 4 6.720 -13.041 0.536 1.00 35.33 H new ATOM 0 HD13 ILE A 4 6.178 -13.186 -1.153 1.00 35.33 H new ATOM 68 N VAL A 5 9.649 -9.711 -3.124 1.00 44.21 N ATOM 69 CA VAL A 5 10.159 -8.329 -3.288 1.00 13.11 C ATOM 70 C VAL A 5 9.156 -7.486 -4.107 1.00 73.52 C ATOM 71 O VAL A 5 8.629 -6.462 -3.629 1.00 74.51 O ATOM 72 CB VAL A 5 11.572 -8.309 -4.005 1.00 43.01 C ATOM 73 CG1 VAL A 5 12.162 -6.878 -4.072 1.00 72.31 C ATOM 74 CG2 VAL A 5 12.565 -9.284 -3.332 1.00 61.41 C ATOM 0 H VAL A 5 10.267 -10.421 -3.517 1.00 44.21 H new ATOM 0 HA VAL A 5 10.275 -7.902 -2.292 1.00 13.11 H new ATOM 0 HB VAL A 5 11.413 -8.649 -5.028 1.00 43.01 H new ATOM 0 HG11 VAL A 5 13.131 -6.907 -4.571 1.00 72.31 H new ATOM 0 HG12 VAL A 5 11.485 -6.231 -4.631 1.00 72.31 H new ATOM 0 HG13 VAL A 5 12.285 -6.488 -3.062 1.00 72.31 H new ATOM 0 HG21 VAL A 5 13.523 -9.243 -3.851 1.00 61.41 H new ATOM 0 HG22 VAL A 5 12.704 -8.999 -2.289 1.00 61.41 H new ATOM 0 HG23 VAL A 5 12.169 -10.298 -3.381 1.00 61.41 H new ATOM 84 N GLU A 6 8.864 -7.982 -5.332 1.00 32.01 N ATOM 85 CA GLU A 6 7.971 -7.299 -6.280 1.00 43.44 C ATOM 86 C GLU A 6 6.529 -7.267 -5.759 1.00 53.54 C ATOM 87 O GLU A 6 5.844 -6.268 -5.939 1.00 74.12 O ATOM 88 CB GLU A 6 8.012 -7.956 -7.689 1.00 72.23 C ATOM 89 CG GLU A 6 7.225 -7.156 -8.753 1.00 31.14 C ATOM 90 CD GLU A 6 7.146 -7.840 -10.122 1.00 3.31 C ATOM 91 OE1 GLU A 6 8.133 -7.778 -10.883 1.00 42.13 O ATOM 92 OE2 GLU A 6 6.089 -8.417 -10.452 1.00 34.45 O ATOM 0 H GLU A 6 9.241 -8.862 -5.684 1.00 32.01 H new ATOM 0 HA GLU A 6 8.334 -6.275 -6.373 1.00 43.44 H new ATOM 0 HB2 GLU A 6 9.050 -8.052 -8.009 1.00 72.23 H new ATOM 0 HB3 GLU A 6 7.604 -8.965 -7.625 1.00 72.23 H new ATOM 0 HG2 GLU A 6 6.213 -6.984 -8.387 1.00 31.14 H new ATOM 0 HG3 GLU A 6 7.691 -6.178 -8.874 1.00 31.14 H new ATOM 99 N ALA A 7 6.097 -8.358 -5.090 1.00 34.53 N ATOM 100 CA ALA A 7 4.730 -8.474 -4.547 1.00 32.11 C ATOM 101 C ALA A 7 4.432 -7.344 -3.563 1.00 50.00 C ATOM 102 O ALA A 7 3.416 -6.675 -3.678 1.00 12.42 O ATOM 103 CB ALA A 7 4.525 -9.824 -3.861 1.00 14.35 C ATOM 0 H ALA A 7 6.682 -9.175 -4.913 1.00 34.53 H new ATOM 0 HA ALA A 7 4.039 -8.399 -5.386 1.00 32.11 H new ATOM 0 HB1 ALA A 7 3.509 -9.883 -3.470 1.00 14.35 H new ATOM 0 HB2 ALA A 7 4.683 -10.626 -4.582 1.00 14.35 H new ATOM 0 HB3 ALA A 7 5.236 -9.927 -3.041 1.00 14.35 H new ATOM 109 N ALA A 8 5.369 -7.118 -2.629 1.00 4.33 N ATOM 110 CA ALA A 8 5.246 -6.074 -1.604 1.00 20.14 C ATOM 111 C ALA A 8 5.206 -4.671 -2.230 1.00 54.32 C ATOM 112 O ALA A 8 4.436 -3.820 -1.794 1.00 34.45 O ATOM 113 CB ALA A 8 6.395 -6.192 -0.605 1.00 14.33 C ATOM 0 H ALA A 8 6.234 -7.655 -2.565 1.00 4.33 H new ATOM 0 HA ALA A 8 4.302 -6.219 -1.078 1.00 20.14 H new ATOM 0 HB1 ALA A 8 6.299 -5.415 0.153 1.00 14.33 H new ATOM 0 HB2 ALA A 8 6.363 -7.171 -0.127 1.00 14.33 H new ATOM 0 HB3 ALA A 8 7.345 -6.074 -1.127 1.00 14.33 H new ATOM 119 N LYS A 9 6.035 -4.455 -3.267 1.00 64.42 N ATOM 120 CA LYS A 9 6.121 -3.158 -3.970 1.00 33.30 C ATOM 121 C LYS A 9 4.815 -2.838 -4.743 1.00 64.13 C ATOM 122 O LYS A 9 4.275 -1.734 -4.631 1.00 34.44 O ATOM 123 CB LYS A 9 7.344 -3.158 -4.922 1.00 33.23 C ATOM 124 CG LYS A 9 7.626 -1.796 -5.592 1.00 32.01 C ATOM 125 CD LYS A 9 8.820 -1.848 -6.569 1.00 14.21 C ATOM 126 CE LYS A 9 9.081 -0.498 -7.249 1.00 73.32 C ATOM 127 NZ LYS A 9 10.144 -0.599 -8.282 1.00 5.12 N ATOM 0 H LYS A 9 6.661 -5.168 -3.641 1.00 64.42 H new ATOM 0 HA LYS A 9 6.251 -2.373 -3.225 1.00 33.30 H new ATOM 0 HB2 LYS A 9 8.227 -3.464 -4.361 1.00 33.23 H new ATOM 0 HB3 LYS A 9 7.185 -3.906 -5.699 1.00 33.23 H new ATOM 0 HG2 LYS A 9 6.736 -1.469 -6.130 1.00 32.01 H new ATOM 0 HG3 LYS A 9 7.825 -1.051 -4.822 1.00 32.01 H new ATOM 0 HD2 LYS A 9 9.714 -2.158 -6.029 1.00 14.21 H new ATOM 0 HD3 LYS A 9 8.630 -2.604 -7.331 1.00 14.21 H new ATOM 0 HE2 LYS A 9 8.160 -0.138 -7.708 1.00 73.32 H new ATOM 0 HE3 LYS A 9 9.372 0.237 -6.499 1.00 73.32 H new ATOM 0 HZ1 LYS A 9 10.292 0.333 -8.720 1.00 5.12 H new ATOM 0 HZ2 LYS A 9 11.029 -0.919 -7.839 1.00 5.12 H new ATOM 0 HZ3 LYS A 9 9.856 -1.282 -9.011 1.00 5.12 H new ATOM 141 N GLN A 10 4.312 -3.838 -5.495 1.00 64.10 N ATOM 142 CA GLN A 10 3.059 -3.743 -6.285 1.00 74.41 C ATOM 143 C GLN A 10 1.842 -3.580 -5.360 1.00 75.25 C ATOM 144 O GLN A 10 0.874 -2.896 -5.702 1.00 2.43 O ATOM 145 CB GLN A 10 2.885 -5.012 -7.173 1.00 4.23 C ATOM 146 CG GLN A 10 3.931 -5.172 -8.295 1.00 1.43 C ATOM 147 CD GLN A 10 3.797 -4.120 -9.398 1.00 51.40 C ATOM 148 OE1 GLN A 10 4.383 -3.038 -9.327 1.00 74.35 O ATOM 149 NE2 GLN A 10 3.021 -4.427 -10.429 1.00 21.43 N ATOM 0 H GLN A 10 4.767 -4.747 -5.574 1.00 64.10 H new ATOM 0 HA GLN A 10 3.126 -2.865 -6.927 1.00 74.41 H new ATOM 0 HB2 GLN A 10 2.924 -5.893 -6.533 1.00 4.23 H new ATOM 0 HB3 GLN A 10 1.893 -4.989 -7.623 1.00 4.23 H new ATOM 0 HG2 GLN A 10 4.930 -5.111 -7.863 1.00 1.43 H new ATOM 0 HG3 GLN A 10 3.834 -6.165 -8.735 1.00 1.43 H new ATOM 0 HE21 GLN A 10 2.549 -5.330 -10.460 1.00 21.43 H new ATOM 0 HE22 GLN A 10 2.897 -3.760 -11.190 1.00 21.43 H new ATOM 158 N ALA A 11 1.929 -4.224 -4.186 1.00 72.24 N ATOM 159 CA ALA A 11 0.903 -4.167 -3.147 1.00 51.34 C ATOM 160 C ALA A 11 0.833 -2.776 -2.534 1.00 45.23 C ATOM 161 O ALA A 11 -0.252 -2.272 -2.270 1.00 23.03 O ATOM 162 CB ALA A 11 1.198 -5.197 -2.064 1.00 51.34 C ATOM 0 H ALA A 11 2.728 -4.806 -3.933 1.00 72.24 H new ATOM 0 HA ALA A 11 -0.061 -4.393 -3.604 1.00 51.34 H new ATOM 0 HB1 ALA A 11 0.428 -5.147 -1.294 1.00 51.34 H new ATOM 0 HB2 ALA A 11 1.207 -6.194 -2.503 1.00 51.34 H new ATOM 0 HB3 ALA A 11 2.170 -4.988 -1.618 1.00 51.34 H new ATOM 168 N ALA A 12 2.019 -2.178 -2.317 1.00 40.50 N ATOM 169 CA ALA A 12 2.147 -0.827 -1.766 1.00 52.12 C ATOM 170 C ALA A 12 1.444 0.195 -2.664 1.00 25.42 C ATOM 171 O ALA A 12 0.634 0.995 -2.187 1.00 30.14 O ATOM 172 CB ALA A 12 3.620 -0.461 -1.586 1.00 24.41 C ATOM 0 H ALA A 12 2.914 -2.623 -2.521 1.00 40.50 H new ATOM 0 HA ALA A 12 1.664 -0.809 -0.789 1.00 52.12 H new ATOM 0 HB1 ALA A 12 3.697 0.546 -1.176 1.00 24.41 H new ATOM 0 HB2 ALA A 12 4.090 -1.168 -0.903 1.00 24.41 H new ATOM 0 HB3 ALA A 12 4.125 -0.499 -2.551 1.00 24.41 H new ATOM 178 N ILE A 13 1.736 0.098 -3.978 1.00 12.14 N ATOM 179 CA ILE A 13 1.112 0.930 -5.021 1.00 60.33 C ATOM 180 C ILE A 13 -0.424 0.719 -5.012 1.00 21.24 C ATOM 181 O ILE A 13 -1.183 1.685 -5.023 1.00 40.14 O ATOM 182 CB ILE A 13 1.712 0.583 -6.444 1.00 44.41 C ATOM 183 CG1 ILE A 13 3.273 0.746 -6.445 1.00 50.54 C ATOM 184 CG2 ILE A 13 1.067 1.447 -7.560 1.00 73.14 C ATOM 185 CD1 ILE A 13 3.969 0.276 -7.717 1.00 53.31 C ATOM 0 H ILE A 13 2.417 -0.566 -4.345 1.00 12.14 H new ATOM 0 HA ILE A 13 1.326 1.978 -4.810 1.00 60.33 H new ATOM 0 HB ILE A 13 1.475 -0.460 -6.656 1.00 44.41 H new ATOM 0 HG12 ILE A 13 3.514 1.797 -6.284 1.00 50.54 H new ATOM 0 HG13 ILE A 13 3.682 0.193 -5.600 1.00 50.54 H new ATOM 0 HG21 ILE A 13 1.503 1.182 -8.523 1.00 73.14 H new ATOM 0 HG22 ILE A 13 -0.007 1.265 -7.586 1.00 73.14 H new ATOM 0 HG23 ILE A 13 1.252 2.502 -7.356 1.00 73.14 H new ATOM 0 HD11 ILE A 13 5.044 0.429 -7.621 1.00 53.31 H new ATOM 0 HD12 ILE A 13 3.766 -0.784 -7.873 1.00 53.31 H new ATOM 0 HD13 ILE A 13 3.595 0.846 -8.568 1.00 53.31 H new ATOM 197 N ALA A 14 -0.844 -0.565 -4.905 1.00 31.13 N ATOM 198 CA ALA A 14 -2.268 -0.981 -4.935 1.00 70.20 C ATOM 199 C ALA A 14 -3.082 -0.431 -3.751 1.00 31.55 C ATOM 200 O ALA A 14 -4.272 -0.129 -3.894 1.00 14.21 O ATOM 201 CB ALA A 14 -2.375 -2.503 -4.977 1.00 44.01 C ATOM 0 H ALA A 14 -0.199 -1.347 -4.795 1.00 31.13 H new ATOM 0 HA ALA A 14 -2.697 -0.554 -5.842 1.00 70.20 H new ATOM 0 HB1 ALA A 14 -3.425 -2.793 -4.999 1.00 44.01 H new ATOM 0 HB2 ALA A 14 -1.876 -2.878 -5.871 1.00 44.01 H new ATOM 0 HB3 ALA A 14 -1.900 -2.926 -4.092 1.00 44.01 H new ATOM 207 N ILE A 15 -2.422 -0.315 -2.590 1.00 73.04 N ATOM 208 CA ILE A 15 -3.014 0.264 -1.371 1.00 13.24 C ATOM 209 C ILE A 15 -3.377 1.743 -1.613 1.00 44.11 C ATOM 210 O ILE A 15 -4.452 2.189 -1.226 1.00 32.33 O ATOM 211 CB ILE A 15 -2.033 0.065 -0.141 1.00 40.14 C ATOM 212 CG1 ILE A 15 -1.992 -1.456 0.249 1.00 13.01 C ATOM 213 CG2 ILE A 15 -2.400 0.951 1.078 1.00 5.11 C ATOM 214 CD1 ILE A 15 -1.017 -1.819 1.352 1.00 63.21 C ATOM 0 H ILE A 15 -1.457 -0.621 -2.467 1.00 73.04 H new ATOM 0 HA ILE A 15 -3.940 -0.256 -1.125 1.00 13.24 H new ATOM 0 HB ILE A 15 -1.040 0.390 -0.451 1.00 40.14 H new ATOM 0 HG12 ILE A 15 -2.992 -1.762 0.556 1.00 13.01 H new ATOM 0 HG13 ILE A 15 -1.741 -2.035 -0.640 1.00 13.01 H new ATOM 0 HG21 ILE A 15 -1.692 0.769 1.886 1.00 5.11 H new ATOM 0 HG22 ILE A 15 -2.359 2.001 0.790 1.00 5.11 H new ATOM 0 HG23 ILE A 15 -3.407 0.706 1.416 1.00 5.11 H new ATOM 0 HD11 ILE A 15 -1.067 -2.891 1.544 1.00 63.21 H new ATOM 0 HD12 ILE A 15 -0.005 -1.552 1.046 1.00 63.21 H new ATOM 0 HD13 ILE A 15 -1.276 -1.275 2.260 1.00 63.21 H new ATOM 226 N PHE A 16 -2.501 2.465 -2.335 1.00 51.03 N ATOM 227 CA PHE A 16 -2.735 3.880 -2.707 1.00 54.33 C ATOM 228 C PHE A 16 -3.741 4.008 -3.866 1.00 43.53 C ATOM 229 O PHE A 16 -4.445 5.019 -3.974 1.00 23.15 O ATOM 230 CB PHE A 16 -1.402 4.571 -3.069 1.00 24.52 C ATOM 231 CG PHE A 16 -0.415 4.602 -1.910 1.00 10.10 C ATOM 232 CD1 PHE A 16 -0.743 5.251 -0.717 1.00 53.52 C ATOM 233 CD2 PHE A 16 0.824 3.982 -2.002 1.00 74.24 C ATOM 234 CE1 PHE A 16 0.144 5.275 0.341 1.00 4.30 C ATOM 235 CE2 PHE A 16 1.705 4.006 -0.946 1.00 63.53 C ATOM 236 CZ PHE A 16 1.366 4.651 0.224 1.00 14.13 C ATOM 0 H PHE A 16 -1.616 2.091 -2.677 1.00 51.03 H new ATOM 0 HA PHE A 16 -3.168 4.380 -1.841 1.00 54.33 H new ATOM 0 HB2 PHE A 16 -0.947 4.052 -3.913 1.00 24.52 H new ATOM 0 HB3 PHE A 16 -1.604 5.591 -3.394 1.00 24.52 H new ATOM 0 HD1 PHE A 16 -1.701 5.740 -0.621 1.00 53.52 H new ATOM 0 HD2 PHE A 16 1.100 3.474 -2.915 1.00 74.24 H new ATOM 0 HE1 PHE A 16 -0.120 5.782 1.258 1.00 4.30 H new ATOM 0 HE2 PHE A 16 2.665 3.518 -1.034 1.00 63.53 H new ATOM 0 HZ PHE A 16 2.060 4.667 1.051 1.00 14.13 H new ATOM 246 N GLN A 17 -3.803 2.976 -4.724 1.00 24.25 N ATOM 247 CA GLN A 17 -4.787 2.900 -5.824 1.00 74.21 C ATOM 248 C GLN A 17 -6.212 2.705 -5.264 1.00 72.54 C ATOM 249 O GLN A 17 -7.193 3.114 -5.892 1.00 3.32 O ATOM 250 CB GLN A 17 -4.409 1.767 -6.815 1.00 24.55 C ATOM 251 CG GLN A 17 -3.056 1.978 -7.535 1.00 73.45 C ATOM 252 CD GLN A 17 -2.573 0.768 -8.343 1.00 4.20 C ATOM 253 OE1 GLN A 17 -2.885 -0.380 -8.028 1.00 62.24 O ATOM 254 NE2 GLN A 17 -1.790 1.005 -9.382 1.00 11.13 N ATOM 0 H GLN A 17 -3.176 2.173 -4.678 1.00 24.25 H new ATOM 0 HA GLN A 17 -4.771 3.842 -6.372 1.00 74.21 H new ATOM 0 HB2 GLN A 17 -4.376 0.822 -6.273 1.00 24.55 H new ATOM 0 HB3 GLN A 17 -5.196 1.677 -7.564 1.00 24.55 H new ATOM 0 HG2 GLN A 17 -3.144 2.834 -8.204 1.00 73.45 H new ATOM 0 HG3 GLN A 17 -2.299 2.230 -6.793 1.00 73.45 H new ATOM 0 HE21 GLN A 17 -1.543 1.964 -9.626 1.00 11.13 H new ATOM 0 HE22 GLN A 17 -1.433 0.229 -9.939 1.00 11.13 H new ATOM 263 N LEU A 18 -6.309 2.086 -4.071 1.00 12.53 N ATOM 264 CA LEU A 18 -7.565 2.021 -3.305 1.00 22.12 C ATOM 265 C LEU A 18 -7.798 3.343 -2.550 1.00 50.41 C ATOM 266 O LEU A 18 -8.899 3.865 -2.554 1.00 33.05 O ATOM 267 CB LEU A 18 -7.566 0.818 -2.314 1.00 14.52 C ATOM 268 CG LEU A 18 -7.684 -0.598 -2.970 1.00 34.31 C ATOM 269 CD1 LEU A 18 -7.631 -1.724 -1.911 1.00 11.25 C ATOM 270 CD2 LEU A 18 -8.961 -0.702 -3.838 1.00 5.52 C ATOM 0 H LEU A 18 -5.524 1.621 -3.616 1.00 12.53 H new ATOM 0 HA LEU A 18 -8.382 1.869 -4.011 1.00 22.12 H new ATOM 0 HB2 LEU A 18 -6.647 0.852 -1.728 1.00 14.52 H new ATOM 0 HB3 LEU A 18 -8.394 0.946 -1.616 1.00 14.52 H new ATOM 0 HG LEU A 18 -6.822 -0.730 -3.624 1.00 34.31 H new ATOM 0 HD11 LEU A 18 -7.716 -2.692 -2.405 1.00 11.25 H new ATOM 0 HD12 LEU A 18 -6.685 -1.673 -1.373 1.00 11.25 H new ATOM 0 HD13 LEU A 18 -8.455 -1.602 -1.208 1.00 11.25 H new ATOM 0 HD21 LEU A 18 -9.019 -1.696 -4.282 1.00 5.52 H new ATOM 0 HD22 LEU A 18 -9.839 -0.531 -3.215 1.00 5.52 H new ATOM 0 HD23 LEU A 18 -8.926 0.047 -4.629 1.00 5.52 H new ATOM 282 N TRP A 19 -6.748 3.890 -1.919 1.00 54.10 N ATOM 283 CA TRP A 19 -6.857 5.112 -1.072 1.00 41.03 C ATOM 284 C TRP A 19 -7.322 6.360 -1.868 1.00 61.05 C ATOM 285 O TRP A 19 -7.887 7.297 -1.287 1.00 11.14 O ATOM 286 CB TRP A 19 -5.517 5.377 -0.332 1.00 4.13 C ATOM 287 CG TRP A 19 -5.241 4.475 0.857 1.00 12.21 C ATOM 288 CD1 TRP A 19 -5.936 3.355 1.251 1.00 31.12 C ATOM 289 CD2 TRP A 19 -4.197 4.652 1.827 1.00 50.24 C ATOM 290 NE1 TRP A 19 -5.375 2.829 2.384 1.00 13.34 N ATOM 291 CE2 TRP A 19 -4.309 3.604 2.758 1.00 30.05 C ATOM 292 CE3 TRP A 19 -3.172 5.593 1.991 1.00 71.35 C ATOM 293 CZ2 TRP A 19 -3.441 3.475 3.839 1.00 70.01 C ATOM 294 CZ3 TRP A 19 -2.312 5.461 3.065 1.00 14.13 C ATOM 295 CH2 TRP A 19 -2.450 4.408 3.977 1.00 22.33 C ATOM 0 H TRP A 19 -5.803 3.510 -1.973 1.00 54.10 H new ATOM 0 HA TRP A 19 -7.635 4.922 -0.332 1.00 41.03 H new ATOM 0 HB2 TRP A 19 -4.700 5.270 -1.045 1.00 4.13 H new ATOM 0 HB3 TRP A 19 -5.508 6.412 0.009 1.00 4.13 H new ATOM 0 HD1 TRP A 19 -6.798 2.950 0.741 1.00 31.12 H new ATOM 0 HE1 TRP A 19 -5.699 1.994 2.872 1.00 13.34 H new ATOM 0 HE3 TRP A 19 -3.056 6.407 1.291 1.00 71.35 H new ATOM 0 HZ2 TRP A 19 -3.547 2.665 4.545 1.00 70.01 H new ATOM 0 HZ3 TRP A 19 -1.520 6.182 3.203 1.00 14.13 H new ATOM 0 HH2 TRP A 19 -1.761 4.331 4.805 1.00 22.33 H new ATOM 306 N LYS A 20 -7.069 6.362 -3.195 1.00 14.25 N ATOM 307 CA LYS A 20 -7.575 7.418 -4.110 1.00 63.54 C ATOM 308 C LYS A 20 -9.042 7.119 -4.540 1.00 43.24 C ATOM 309 O LYS A 20 -9.844 8.035 -4.757 1.00 25.22 O ATOM 310 CB LYS A 20 -6.668 7.521 -5.381 1.00 43.22 C ATOM 311 CG LYS A 20 -6.795 6.326 -6.361 1.00 3.03 C ATOM 312 CD LYS A 20 -6.030 6.510 -7.692 1.00 4.34 C ATOM 313 CE LYS A 20 -6.571 5.595 -8.814 1.00 23.12 C ATOM 314 NZ LYS A 20 -6.433 4.147 -8.510 1.00 0.21 N ATOM 0 H LYS A 20 -6.516 5.643 -3.661 1.00 14.25 H new ATOM 0 HA LYS A 20 -7.550 8.367 -3.574 1.00 63.54 H new ATOM 0 HB2 LYS A 20 -6.914 8.439 -5.914 1.00 43.22 H new ATOM 0 HB3 LYS A 20 -5.629 7.606 -5.064 1.00 43.22 H new ATOM 0 HG2 LYS A 20 -6.429 5.426 -5.867 1.00 3.03 H new ATOM 0 HG3 LYS A 20 -7.850 6.163 -6.581 1.00 3.03 H new ATOM 0 HD2 LYS A 20 -6.103 7.550 -8.009 1.00 4.34 H new ATOM 0 HD3 LYS A 20 -4.973 6.298 -7.532 1.00 4.34 H new ATOM 0 HE2 LYS A 20 -7.623 5.825 -8.985 1.00 23.12 H new ATOM 0 HE3 LYS A 20 -6.042 5.817 -9.741 1.00 23.12 H new ATOM 0 HZ1 LYS A 20 -7.079 3.602 -9.116 1.00 0.21 H new ATOM 0 HZ2 LYS A 20 -5.454 3.846 -8.690 1.00 0.21 H new ATOM 0 HZ3 LYS A 20 -6.669 3.978 -7.511 1.00 0.21 H new ATOM 328 N ASN A 21 -9.362 5.814 -4.662 1.00 20.05 N ATOM 329 CA ASN A 21 -10.621 5.319 -5.240 1.00 2.13 C ATOM 330 C ASN A 21 -10.865 3.880 -4.715 1.00 62.11 C ATOM 331 O ASN A 21 -10.300 2.931 -5.264 1.00 65.52 O ATOM 332 CB ASN A 21 -10.535 5.347 -6.799 1.00 73.04 C ATOM 333 CG ASN A 21 -11.809 4.857 -7.485 1.00 13.20 C ATOM 334 OD1 ASN A 21 -12.718 5.636 -7.768 1.00 32.43 O ATOM 335 ND2 ASN A 21 -11.886 3.569 -7.754 1.00 23.53 N ATOM 0 H ASN A 21 -8.740 5.066 -4.356 1.00 20.05 H new ATOM 0 HA ASN A 21 -11.456 5.954 -4.944 1.00 2.13 H new ATOM 0 HB2 ASN A 21 -10.324 6.365 -7.126 1.00 73.04 H new ATOM 0 HB3 ASN A 21 -9.697 4.729 -7.121 1.00 73.04 H new ATOM 0 HD21 ASN A 21 -12.717 3.192 -8.210 1.00 23.53 H new ATOM 0 HD22 ASN A 21 -11.115 2.949 -7.506 1.00 23.53 H new ATOM 342 N PRO A 22 -11.630 3.710 -3.585 1.00 12.34 N ATOM 343 CA PRO A 22 -11.854 2.378 -2.926 1.00 35.15 C ATOM 344 C PRO A 22 -12.452 1.312 -3.860 1.00 63.42 C ATOM 345 O PRO A 22 -12.219 0.108 -3.678 1.00 41.31 O ATOM 346 CB PRO A 22 -12.822 2.713 -1.755 1.00 42.13 C ATOM 347 CG PRO A 22 -13.395 4.057 -2.098 1.00 52.03 C ATOM 348 CD PRO A 22 -12.300 4.791 -2.822 1.00 73.35 C ATOM 0 HA PRO A 22 -10.913 1.932 -2.606 1.00 35.15 H new ATOM 0 HB2 PRO A 22 -13.606 1.961 -1.664 1.00 42.13 H new ATOM 0 HB3 PRO A 22 -12.294 2.741 -0.802 1.00 42.13 H new ATOM 0 HG2 PRO A 22 -14.281 3.957 -2.725 1.00 52.03 H new ATOM 0 HG3 PRO A 22 -13.699 4.594 -1.200 1.00 52.03 H new ATOM 0 HD2 PRO A 22 -12.697 5.564 -3.480 1.00 73.35 H new ATOM 0 HD3 PRO A 22 -11.616 5.282 -2.130 1.00 73.35 H new ATOM 356 N THR A 23 -13.199 1.769 -4.879 1.00 72.02 N ATOM 357 CA THR A 23 -13.869 0.890 -5.850 1.00 44.15 C ATOM 358 C THR A 23 -12.926 0.480 -6.999 1.00 45.02 C ATOM 359 O THR A 23 -13.388 -0.027 -8.021 1.00 60.34 O ATOM 360 CB THR A 23 -15.141 1.600 -6.427 1.00 23.22 C ATOM 361 OG1 THR A 23 -14.765 2.830 -7.073 1.00 2.01 O ATOM 362 CG2 THR A 23 -16.185 1.897 -5.336 1.00 0.15 C ATOM 0 H THR A 23 -13.355 2.762 -5.052 1.00 72.02 H new ATOM 0 HA THR A 23 -14.164 -0.018 -5.325 1.00 44.15 H new ATOM 0 HB THR A 23 -15.593 0.919 -7.147 1.00 23.22 H new ATOM 0 HG1 THR A 23 -15.564 3.268 -7.433 1.00 2.01 H new ATOM 0 HG21 THR A 23 -17.049 2.389 -5.783 1.00 0.15 H new ATOM 0 HG22 THR A 23 -16.500 0.963 -4.870 1.00 0.15 H new ATOM 0 HG23 THR A 23 -15.747 2.549 -4.581 1.00 0.15 H new ATOM 370 N ASP A 24 -11.602 0.686 -6.827 1.00 30.02 N ATOM 371 CA ASP A 24 -10.597 0.334 -7.852 1.00 0.24 C ATOM 372 C ASP A 24 -10.475 -1.203 -7.950 1.00 15.33 C ATOM 373 O ASP A 24 -9.973 -1.832 -7.006 1.00 43.32 O ATOM 374 CB ASP A 24 -9.212 0.962 -7.519 1.00 4.51 C ATOM 375 CG ASP A 24 -8.223 0.887 -8.702 1.00 12.04 C ATOM 376 OD1 ASP A 24 -7.997 1.921 -9.368 1.00 64.44 O ATOM 377 OD2 ASP A 24 -7.685 -0.204 -8.981 1.00 60.05 O ATOM 0 H ASP A 24 -11.204 1.097 -5.983 1.00 30.02 H new ATOM 0 HA ASP A 24 -10.925 0.735 -8.811 1.00 0.24 H new ATOM 0 HB2 ASP A 24 -9.350 2.004 -7.232 1.00 4.51 H new ATOM 0 HB3 ASP A 24 -8.782 0.449 -6.659 1.00 4.51 H new ATOM 382 N PRO A 25 -10.928 -1.833 -9.086 1.00 2.21 N ATOM 383 CA PRO A 25 -10.984 -3.308 -9.207 1.00 31.13 C ATOM 384 C PRO A 25 -9.588 -3.947 -9.295 1.00 25.44 C ATOM 385 O PRO A 25 -9.346 -4.990 -8.682 1.00 73.44 O ATOM 386 CB PRO A 25 -11.809 -3.531 -10.503 1.00 43.13 C ATOM 387 CG PRO A 25 -11.561 -2.306 -11.331 1.00 61.13 C ATOM 388 CD PRO A 25 -11.407 -1.164 -10.339 1.00 70.22 C ATOM 0 HA PRO A 25 -11.431 -3.780 -8.332 1.00 31.13 H new ATOM 0 HB2 PRO A 25 -11.489 -4.433 -11.025 1.00 43.13 H new ATOM 0 HB3 PRO A 25 -12.869 -3.650 -10.281 1.00 43.13 H new ATOM 0 HG2 PRO A 25 -10.664 -2.420 -11.940 1.00 61.13 H new ATOM 0 HG3 PRO A 25 -12.389 -2.121 -12.015 1.00 61.13 H new ATOM 0 HD2 PRO A 25 -10.692 -0.422 -10.693 1.00 70.22 H new ATOM 0 HD3 PRO A 25 -12.352 -0.645 -10.178 1.00 70.22 H new ATOM 396 N GLU A 26 -8.673 -3.279 -10.026 1.00 34.43 N ATOM 397 CA GLU A 26 -7.329 -3.798 -10.319 1.00 2.53 C ATOM 398 C GLU A 26 -6.495 -3.937 -9.038 1.00 22.20 C ATOM 399 O GLU A 26 -5.807 -4.944 -8.845 1.00 33.13 O ATOM 400 CB GLU A 26 -6.607 -2.870 -11.333 1.00 41.11 C ATOM 401 CG GLU A 26 -7.263 -2.791 -12.726 1.00 51.52 C ATOM 402 CD GLU A 26 -7.337 -4.148 -13.452 1.00 53.03 C ATOM 403 OE1 GLU A 26 -6.279 -4.797 -13.639 1.00 75.04 O ATOM 404 OE2 GLU A 26 -8.448 -4.572 -13.842 1.00 52.11 O ATOM 0 H GLU A 26 -8.850 -2.359 -10.430 1.00 34.43 H new ATOM 0 HA GLU A 26 -7.438 -4.790 -10.758 1.00 2.53 H new ATOM 0 HB2 GLU A 26 -6.559 -1.865 -10.913 1.00 41.11 H new ATOM 0 HB3 GLU A 26 -5.580 -3.215 -11.451 1.00 41.11 H new ATOM 0 HG2 GLU A 26 -8.271 -2.389 -12.621 1.00 51.52 H new ATOM 0 HG3 GLU A 26 -6.702 -2.089 -13.343 1.00 51.52 H new ATOM 411 N ALA A 27 -6.615 -2.924 -8.162 1.00 1.25 N ATOM 412 CA ALA A 27 -5.828 -2.810 -6.928 1.00 11.11 C ATOM 413 C ALA A 27 -6.164 -3.932 -5.932 1.00 74.01 C ATOM 414 O ALA A 27 -5.290 -4.704 -5.538 1.00 3.15 O ATOM 415 CB ALA A 27 -6.074 -1.438 -6.291 1.00 73.04 C ATOM 0 H ALA A 27 -7.270 -2.154 -8.296 1.00 1.25 H new ATOM 0 HA ALA A 27 -4.774 -2.911 -7.185 1.00 11.11 H new ATOM 0 HB1 ALA A 27 -5.490 -1.352 -5.375 1.00 73.04 H new ATOM 0 HB2 ALA A 27 -5.774 -0.655 -6.987 1.00 73.04 H new ATOM 0 HB3 ALA A 27 -7.133 -1.330 -6.058 1.00 73.04 H new ATOM 421 N GLN A 28 -7.454 -4.030 -5.566 1.00 41.42 N ATOM 422 CA GLN A 28 -7.926 -4.990 -4.543 1.00 72.20 C ATOM 423 C GLN A 28 -7.872 -6.455 -5.040 1.00 71.55 C ATOM 424 O GLN A 28 -7.719 -7.380 -4.229 1.00 2.43 O ATOM 425 CB GLN A 28 -9.350 -4.604 -4.059 1.00 31.23 C ATOM 426 CG GLN A 28 -10.414 -4.506 -5.170 1.00 55.01 C ATOM 427 CD GLN A 28 -11.728 -3.888 -4.686 1.00 44.34 C ATOM 428 OE1 GLN A 28 -12.630 -4.590 -4.235 1.00 30.43 O ATOM 429 NE2 GLN A 28 -11.844 -2.566 -4.765 1.00 72.31 N ATOM 0 H GLN A 28 -8.195 -3.454 -5.964 1.00 41.42 H new ATOM 0 HA GLN A 28 -7.244 -4.930 -3.695 1.00 72.20 H new ATOM 0 HB2 GLN A 28 -9.680 -5.340 -3.326 1.00 31.23 H new ATOM 0 HB3 GLN A 28 -9.294 -3.644 -3.545 1.00 31.23 H new ATOM 0 HG2 GLN A 28 -10.019 -3.909 -5.992 1.00 55.01 H new ATOM 0 HG3 GLN A 28 -10.611 -5.502 -5.566 1.00 55.01 H new ATOM 0 HE21 GLN A 28 -11.078 -2.009 -5.144 1.00 72.31 H new ATOM 0 HE22 GLN A 28 -12.699 -2.109 -4.447 1.00 72.31 H new ATOM 438 N GLU A 29 -7.967 -6.650 -6.376 1.00 34.10 N ATOM 439 CA GLU A 29 -7.869 -7.990 -7.004 1.00 60.12 C ATOM 440 C GLU A 29 -6.411 -8.492 -6.993 1.00 55.23 C ATOM 441 O GLU A 29 -6.165 -9.673 -6.729 1.00 25.42 O ATOM 442 CB GLU A 29 -8.429 -7.985 -8.458 1.00 54.13 C ATOM 443 CG GLU A 29 -8.406 -9.364 -9.152 1.00 14.21 C ATOM 444 CD GLU A 29 -9.018 -9.354 -10.557 1.00 62.02 C ATOM 445 OE1 GLU A 29 -8.344 -8.901 -11.505 1.00 14.14 O ATOM 446 OE2 GLU A 29 -10.171 -9.809 -10.731 1.00 52.43 O ATOM 0 H GLU A 29 -8.112 -5.892 -7.043 1.00 34.10 H new ATOM 0 HA GLU A 29 -8.480 -8.673 -6.414 1.00 60.12 H new ATOM 0 HB2 GLU A 29 -9.455 -7.618 -8.438 1.00 54.13 H new ATOM 0 HB3 GLU A 29 -7.850 -7.281 -9.056 1.00 54.13 H new ATOM 0 HG2 GLU A 29 -7.375 -9.712 -9.216 1.00 14.21 H new ATOM 0 HG3 GLU A 29 -8.947 -10.081 -8.534 1.00 14.21 H new ATOM 453 N LEU A 30 -5.432 -7.592 -7.262 1.00 3.12 N ATOM 454 CA LEU A 30 -4.000 -7.977 -7.253 1.00 12.21 C ATOM 455 C LEU A 30 -3.534 -8.250 -5.806 1.00 42.53 C ATOM 456 O LEU A 30 -2.694 -9.121 -5.575 1.00 32.24 O ATOM 457 CB LEU A 30 -3.105 -6.937 -8.024 1.00 30.43 C ATOM 458 CG LEU A 30 -2.717 -5.571 -7.328 1.00 32.34 C ATOM 459 CD1 LEU A 30 -1.455 -5.694 -6.433 1.00 2.42 C ATOM 460 CD2 LEU A 30 -2.539 -4.428 -8.365 1.00 73.31 C ATOM 0 H LEU A 30 -5.604 -6.611 -7.484 1.00 3.12 H new ATOM 0 HA LEU A 30 -3.881 -8.909 -7.806 1.00 12.21 H new ATOM 0 HB2 LEU A 30 -2.177 -7.441 -8.292 1.00 30.43 H new ATOM 0 HB3 LEU A 30 -3.616 -6.694 -8.956 1.00 30.43 H new ATOM 0 HG LEU A 30 -3.554 -5.317 -6.677 1.00 32.34 H new ATOM 0 HD11 LEU A 30 -1.234 -4.727 -5.980 1.00 2.42 H new ATOM 0 HD12 LEU A 30 -1.635 -6.429 -5.649 1.00 2.42 H new ATOM 0 HD13 LEU A 30 -0.608 -6.012 -7.041 1.00 2.42 H new ATOM 0 HD21 LEU A 30 -2.273 -3.506 -7.848 1.00 73.31 H new ATOM 0 HD22 LEU A 30 -1.747 -4.693 -9.066 1.00 73.31 H new ATOM 0 HD23 LEU A 30 -3.472 -4.282 -8.910 1.00 73.31 H new ATOM 472 N LEU A 31 -4.139 -7.518 -4.839 1.00 73.23 N ATOM 473 CA LEU A 31 -3.936 -7.740 -3.386 1.00 61.44 C ATOM 474 C LEU A 31 -4.518 -9.099 -2.933 1.00 2.24 C ATOM 475 O LEU A 31 -4.072 -9.662 -1.941 1.00 33.33 O ATOM 476 CB LEU A 31 -4.578 -6.587 -2.557 1.00 51.42 C ATOM 477 CG LEU A 31 -3.873 -5.197 -2.639 1.00 30.34 C ATOM 478 CD1 LEU A 31 -4.668 -4.111 -1.877 1.00 13.54 C ATOM 479 CD2 LEU A 31 -2.422 -5.286 -2.127 1.00 51.01 C ATOM 0 H LEU A 31 -4.783 -6.755 -5.045 1.00 73.23 H new ATOM 0 HA LEU A 31 -2.861 -7.752 -3.207 1.00 61.44 H new ATOM 0 HB2 LEU A 31 -5.611 -6.466 -2.883 1.00 51.42 H new ATOM 0 HB3 LEU A 31 -4.608 -6.894 -1.511 1.00 51.42 H new ATOM 0 HG LEU A 31 -3.844 -4.903 -3.688 1.00 30.34 H new ATOM 0 HD11 LEU A 31 -4.147 -3.157 -1.956 1.00 13.54 H new ATOM 0 HD12 LEU A 31 -5.664 -4.018 -2.310 1.00 13.54 H new ATOM 0 HD13 LEU A 31 -4.754 -4.392 -0.827 1.00 13.54 H new ATOM 0 HD21 LEU A 31 -1.952 -4.305 -2.194 1.00 51.01 H new ATOM 0 HD22 LEU A 31 -2.422 -5.618 -1.089 1.00 51.01 H new ATOM 0 HD23 LEU A 31 -1.864 -5.998 -2.736 1.00 51.01 H new ATOM 491 N ASN A 32 -5.525 -9.600 -3.662 1.00 64.15 N ATOM 492 CA ASN A 32 -6.123 -10.931 -3.402 1.00 43.12 C ATOM 493 C ASN A 32 -5.154 -12.054 -3.823 1.00 13.22 C ATOM 494 O ASN A 32 -5.138 -13.132 -3.228 1.00 43.44 O ATOM 495 CB ASN A 32 -7.481 -11.049 -4.151 1.00 20.25 C ATOM 496 CG ASN A 32 -8.258 -12.343 -3.858 1.00 64.15 C ATOM 497 OD1 ASN A 32 -8.094 -13.361 -4.536 1.00 42.43 O ATOM 498 ND2 ASN A 32 -9.131 -12.304 -2.868 1.00 61.44 N ATOM 0 H ASN A 32 -5.950 -9.103 -4.445 1.00 64.15 H new ATOM 0 HA ASN A 32 -6.306 -11.039 -2.333 1.00 43.12 H new ATOM 0 HB2 ASN A 32 -8.105 -10.196 -3.883 1.00 20.25 H new ATOM 0 HB3 ASN A 32 -7.297 -10.985 -5.223 1.00 20.25 H new ATOM 0 HD21 ASN A 32 -9.690 -13.129 -2.648 1.00 61.44 H new ATOM 0 HD22 ASN A 32 -9.247 -11.449 -2.323 1.00 61.44 H new ATOM 505 N LYS A 33 -4.325 -11.754 -4.831 1.00 42.44 N ATOM 506 CA LYS A 33 -3.382 -12.708 -5.430 1.00 31.42 C ATOM 507 C LYS A 33 -2.105 -12.848 -4.578 1.00 74.15 C ATOM 508 O LYS A 33 -1.608 -13.958 -4.367 1.00 62.53 O ATOM 509 CB LYS A 33 -3.025 -12.215 -6.858 1.00 60.23 C ATOM 510 CG LYS A 33 -4.247 -12.091 -7.800 1.00 72.20 C ATOM 511 CD LYS A 33 -3.922 -11.369 -9.126 1.00 42.23 C ATOM 512 CE LYS A 33 -2.839 -12.072 -9.956 1.00 51.01 C ATOM 513 NZ LYS A 33 -3.223 -13.458 -10.340 1.00 62.33 N ATOM 0 H LYS A 33 -4.290 -10.829 -5.260 1.00 42.44 H new ATOM 0 HA LYS A 33 -3.850 -13.692 -5.476 1.00 31.42 H new ATOM 0 HB2 LYS A 33 -2.534 -11.244 -6.785 1.00 60.23 H new ATOM 0 HB3 LYS A 33 -2.305 -12.904 -7.301 1.00 60.23 H new ATOM 0 HG2 LYS A 33 -4.630 -13.087 -8.021 1.00 72.20 H new ATOM 0 HG3 LYS A 33 -5.041 -11.551 -7.285 1.00 72.20 H new ATOM 0 HD2 LYS A 33 -4.832 -11.292 -9.721 1.00 42.23 H new ATOM 0 HD3 LYS A 33 -3.597 -10.352 -8.907 1.00 42.23 H new ATOM 0 HE2 LYS A 33 -2.642 -11.491 -10.857 1.00 51.01 H new ATOM 0 HE3 LYS A 33 -1.911 -12.101 -9.386 1.00 51.01 H new ATOM 0 HZ1 LYS A 33 -2.473 -13.876 -10.927 1.00 62.33 H new ATOM 0 HZ2 LYS A 33 -3.352 -14.032 -9.483 1.00 62.33 H new ATOM 0 HZ3 LYS A 33 -4.112 -13.435 -10.879 1.00 62.33 H new ATOM 527 N ILE A 34 -1.579 -11.707 -4.088 1.00 60.11 N ATOM 528 CA ILE A 34 -0.231 -11.645 -3.461 1.00 11.13 C ATOM 529 C ILE A 34 -0.297 -11.473 -1.921 1.00 1.51 C ATOM 530 O ILE A 34 0.538 -12.032 -1.190 1.00 31.54 O ATOM 531 CB ILE A 34 0.623 -10.494 -4.122 1.00 54.03 C ATOM 532 CG1 ILE A 34 -0.022 -9.091 -3.885 1.00 4.12 C ATOM 533 CG2 ILE A 34 0.807 -10.758 -5.640 1.00 32.12 C ATOM 534 CD1 ILE A 34 0.662 -7.938 -4.590 1.00 1.33 C ATOM 0 H ILE A 34 -2.064 -10.810 -4.112 1.00 60.11 H new ATOM 0 HA ILE A 34 0.257 -12.602 -3.644 1.00 11.13 H new ATOM 0 HB ILE A 34 1.603 -10.492 -3.644 1.00 54.03 H new ATOM 0 HG12 ILE A 34 -1.062 -9.128 -4.209 1.00 4.12 H new ATOM 0 HG13 ILE A 34 -0.029 -8.888 -2.814 1.00 4.12 H new ATOM 0 HG21 ILE A 34 1.398 -9.955 -6.080 1.00 32.12 H new ATOM 0 HG22 ILE A 34 1.321 -11.708 -5.784 1.00 32.12 H new ATOM 0 HG23 ILE A 34 -0.169 -10.797 -6.123 1.00 32.12 H new ATOM 0 HD11 ILE A 34 0.138 -7.010 -4.361 1.00 1.33 H new ATOM 0 HD12 ILE A 34 1.695 -7.865 -4.250 1.00 1.33 H new ATOM 0 HD13 ILE A 34 0.645 -8.108 -5.666 1.00 1.33 H new ATOM 546 N LEU A 35 -1.286 -10.703 -1.447 1.00 10.45 N ATOM 547 CA LEU A 35 -1.486 -10.402 -0.008 1.00 15.31 C ATOM 548 C LEU A 35 -2.577 -11.302 0.591 1.00 2.20 C ATOM 549 O LEU A 35 -3.163 -12.150 -0.096 1.00 64.42 O ATOM 550 CB LEU A 35 -1.839 -8.878 0.189 1.00 30.02 C ATOM 551 CG LEU A 35 -0.665 -7.930 0.613 1.00 53.20 C ATOM 552 CD1 LEU A 35 -0.280 -8.128 2.098 1.00 33.20 C ATOM 553 CD2 LEU A 35 0.565 -8.106 -0.303 1.00 64.42 C ATOM 0 H LEU A 35 -1.981 -10.264 -2.051 1.00 10.45 H new ATOM 0 HA LEU A 35 -0.556 -10.609 0.521 1.00 15.31 H new ATOM 0 HB2 LEU A 35 -2.258 -8.503 -0.745 1.00 30.02 H new ATOM 0 HB3 LEU A 35 -2.623 -8.806 0.942 1.00 30.02 H new ATOM 0 HG LEU A 35 -1.023 -6.907 0.497 1.00 53.20 H new ATOM 0 HD11 LEU A 35 0.537 -7.454 2.355 1.00 33.20 H new ATOM 0 HD12 LEU A 35 -1.142 -7.911 2.729 1.00 33.20 H new ATOM 0 HD13 LEU A 35 0.036 -9.159 2.258 1.00 33.20 H new ATOM 0 HD21 LEU A 35 1.359 -7.433 0.021 1.00 64.42 H new ATOM 0 HD22 LEU A 35 0.917 -9.136 -0.246 1.00 64.42 H new ATOM 0 HD23 LEU A 35 0.289 -7.873 -1.331 1.00 64.42 H new ATOM 565 N SER A 36 -2.816 -11.112 1.895 1.00 75.44 N ATOM 566 CA SER A 36 -3.873 -11.808 2.635 1.00 75.11 C ATOM 567 C SER A 36 -5.245 -11.121 2.392 1.00 62.14 C ATOM 568 O SER A 36 -5.294 -9.896 2.228 1.00 34.21 O ATOM 569 CB SER A 36 -3.508 -11.819 4.130 1.00 33.33 C ATOM 570 OG SER A 36 -2.267 -12.463 4.346 1.00 4.14 O ATOM 0 H SER A 36 -2.276 -10.465 2.470 1.00 75.44 H new ATOM 0 HA SER A 36 -3.958 -12.837 2.284 1.00 75.11 H new ATOM 0 HB2 SER A 36 -3.460 -10.796 4.504 1.00 33.33 H new ATOM 0 HB3 SER A 36 -4.289 -12.328 4.695 1.00 33.33 H new ATOM 0 HG SER A 36 -1.562 -11.985 3.861 1.00 4.14 H new ATOM 576 N PRO A 37 -6.386 -11.900 2.364 1.00 2.31 N ATOM 577 CA PRO A 37 -7.757 -11.348 2.095 1.00 42.23 C ATOM 578 C PRO A 37 -8.199 -10.237 3.090 1.00 53.34 C ATOM 579 O PRO A 37 -8.952 -9.326 2.717 1.00 33.04 O ATOM 580 CB PRO A 37 -8.679 -12.605 2.188 1.00 5.15 C ATOM 581 CG PRO A 37 -7.876 -13.631 2.937 1.00 23.22 C ATOM 582 CD PRO A 37 -6.437 -13.380 2.544 1.00 45.42 C ATOM 0 HA PRO A 37 -7.799 -10.844 1.129 1.00 42.23 H new ATOM 0 HB2 PRO A 37 -9.607 -12.374 2.710 1.00 5.15 H new ATOM 0 HB3 PRO A 37 -8.952 -12.966 1.197 1.00 5.15 H new ATOM 0 HG2 PRO A 37 -8.013 -13.528 4.013 1.00 23.22 H new ATOM 0 HG3 PRO A 37 -8.185 -14.642 2.672 1.00 23.22 H new ATOM 0 HD2 PRO A 37 -5.744 -13.716 3.316 1.00 45.42 H new ATOM 0 HD3 PRO A 37 -6.172 -13.907 1.627 1.00 45.42 H new ATOM 590 N ASP A 38 -7.721 -10.329 4.347 1.00 53.22 N ATOM 591 CA ASP A 38 -7.999 -9.330 5.408 1.00 1.13 C ATOM 592 C ASP A 38 -7.388 -7.963 5.057 1.00 32.11 C ATOM 593 O ASP A 38 -8.009 -6.921 5.287 1.00 74.21 O ATOM 594 CB ASP A 38 -7.445 -9.829 6.774 1.00 71.32 C ATOM 595 CG ASP A 38 -7.599 -8.808 7.924 1.00 4.22 C ATOM 596 OD1 ASP A 38 -6.624 -8.081 8.242 1.00 4.24 O ATOM 597 OD2 ASP A 38 -8.691 -8.745 8.535 1.00 33.53 O ATOM 0 H ASP A 38 -7.129 -11.099 4.660 1.00 53.22 H new ATOM 0 HA ASP A 38 -9.080 -9.209 5.483 1.00 1.13 H new ATOM 0 HB2 ASP A 38 -7.959 -10.750 7.048 1.00 71.32 H new ATOM 0 HB3 ASP A 38 -6.389 -10.075 6.659 1.00 71.32 H new ATOM 602 N VAL A 39 -6.172 -7.998 4.470 1.00 64.45 N ATOM 603 CA VAL A 39 -5.382 -6.795 4.154 1.00 15.45 C ATOM 604 C VAL A 39 -6.114 -5.890 3.153 1.00 45.23 C ATOM 605 O VAL A 39 -6.330 -4.711 3.433 1.00 64.31 O ATOM 606 CB VAL A 39 -3.947 -7.167 3.621 1.00 42.15 C ATOM 607 CG1 VAL A 39 -3.169 -5.916 3.128 1.00 22.11 C ATOM 608 CG2 VAL A 39 -3.153 -7.934 4.710 1.00 43.55 C ATOM 0 H VAL A 39 -5.711 -8.868 4.202 1.00 64.45 H new ATOM 0 HA VAL A 39 -5.260 -6.240 5.084 1.00 15.45 H new ATOM 0 HB VAL A 39 -4.069 -7.820 2.757 1.00 42.15 H new ATOM 0 HG11 VAL A 39 -2.185 -6.218 2.769 1.00 22.11 H new ATOM 0 HG12 VAL A 39 -3.721 -5.440 2.317 1.00 22.11 H new ATOM 0 HG13 VAL A 39 -3.054 -5.211 3.951 1.00 22.11 H new ATOM 0 HG21 VAL A 39 -2.163 -8.185 4.329 1.00 43.55 H new ATOM 0 HG22 VAL A 39 -3.053 -7.307 5.596 1.00 43.55 H new ATOM 0 HG23 VAL A 39 -3.684 -8.849 4.971 1.00 43.55 H new ATOM 618 N LEU A 40 -6.531 -6.458 2.006 1.00 54.44 N ATOM 619 CA LEU A 40 -7.224 -5.680 0.952 1.00 41.33 C ATOM 620 C LEU A 40 -8.555 -5.111 1.471 1.00 44.34 C ATOM 621 O LEU A 40 -8.963 -4.014 1.081 1.00 11.21 O ATOM 622 CB LEU A 40 -7.442 -6.550 -0.319 1.00 4.02 C ATOM 623 CG LEU A 40 -8.388 -7.808 -0.180 1.00 24.11 C ATOM 624 CD1 LEU A 40 -9.869 -7.501 -0.539 1.00 72.12 C ATOM 625 CD2 LEU A 40 -7.868 -9.003 -0.992 1.00 2.43 C ATOM 0 H LEU A 40 -6.403 -7.445 1.783 1.00 54.44 H new ATOM 0 HA LEU A 40 -6.589 -4.837 0.679 1.00 41.33 H new ATOM 0 HB2 LEU A 40 -7.846 -5.908 -1.102 1.00 4.02 H new ATOM 0 HB3 LEU A 40 -6.467 -6.897 -0.662 1.00 4.02 H new ATOM 0 HG LEU A 40 -8.369 -8.076 0.876 1.00 24.11 H new ATOM 0 HD11 LEU A 40 -10.466 -8.405 -0.423 1.00 72.12 H new ATOM 0 HD12 LEU A 40 -10.251 -6.726 0.125 1.00 72.12 H new ATOM 0 HD13 LEU A 40 -9.929 -7.156 -1.571 1.00 72.12 H new ATOM 0 HD21 LEU A 40 -8.546 -9.848 -0.870 1.00 2.43 H new ATOM 0 HD22 LEU A 40 -7.813 -8.730 -2.046 1.00 2.43 H new ATOM 0 HD23 LEU A 40 -6.875 -9.280 -0.637 1.00 2.43 H new ATOM 637 N ASP A 41 -9.185 -5.870 2.391 1.00 74.33 N ATOM 638 CA ASP A 41 -10.517 -5.569 2.920 1.00 60.30 C ATOM 639 C ASP A 41 -10.475 -4.341 3.846 1.00 52.21 C ATOM 640 O ASP A 41 -11.250 -3.407 3.663 1.00 71.41 O ATOM 641 CB ASP A 41 -11.101 -6.814 3.640 1.00 11.52 C ATOM 642 CG ASP A 41 -12.580 -6.630 4.034 1.00 1.13 C ATOM 643 OD1 ASP A 41 -12.866 -6.167 5.155 1.00 0.11 O ATOM 644 OD2 ASP A 41 -13.470 -6.957 3.214 1.00 31.42 O ATOM 0 H ASP A 41 -8.774 -6.715 2.787 1.00 74.33 H new ATOM 0 HA ASP A 41 -11.178 -5.322 2.089 1.00 60.30 H new ATOM 0 HB2 ASP A 41 -11.007 -7.683 2.989 1.00 11.52 H new ATOM 0 HB3 ASP A 41 -10.513 -7.021 4.534 1.00 11.52 H new ATOM 649 N GLN A 42 -9.537 -4.332 4.811 1.00 60.22 N ATOM 650 CA GLN A 42 -9.360 -3.187 5.730 1.00 41.44 C ATOM 651 C GLN A 42 -8.884 -1.926 4.976 1.00 14.12 C ATOM 652 O GLN A 42 -9.338 -0.818 5.276 1.00 3.23 O ATOM 653 CB GLN A 42 -8.395 -3.526 6.903 1.00 64.41 C ATOM 654 CG GLN A 42 -7.017 -4.084 6.483 1.00 15.30 C ATOM 655 CD GLN A 42 -6.018 -4.229 7.632 1.00 51.22 C ATOM 656 OE1 GLN A 42 -6.010 -3.435 8.575 1.00 71.42 O ATOM 657 NE2 GLN A 42 -5.179 -5.257 7.577 1.00 12.00 N ATOM 0 H GLN A 42 -8.890 -5.103 4.976 1.00 60.22 H new ATOM 0 HA GLN A 42 -10.338 -2.975 6.161 1.00 41.44 H new ATOM 0 HB2 GLN A 42 -8.238 -2.624 7.495 1.00 64.41 H new ATOM 0 HB3 GLN A 42 -8.881 -4.254 7.553 1.00 64.41 H new ATOM 0 HG2 GLN A 42 -7.160 -5.059 6.017 1.00 15.30 H new ATOM 0 HG3 GLN A 42 -6.588 -3.428 5.725 1.00 15.30 H new ATOM 0 HE21 GLN A 42 -5.209 -5.898 6.784 1.00 12.00 H new ATOM 0 HE22 GLN A 42 -4.505 -5.406 8.328 1.00 12.00 H new ATOM 666 N VAL A 43 -7.991 -2.117 3.980 1.00 61.23 N ATOM 667 CA VAL A 43 -7.446 -1.015 3.158 1.00 25.44 C ATOM 668 C VAL A 43 -8.559 -0.299 2.363 1.00 14.21 C ATOM 669 O VAL A 43 -8.622 0.935 2.360 1.00 61.21 O ATOM 670 CB VAL A 43 -6.293 -1.521 2.193 1.00 54.04 C ATOM 671 CG1 VAL A 43 -5.905 -0.461 1.130 1.00 22.45 C ATOM 672 CG2 VAL A 43 -5.041 -1.937 3.010 1.00 24.24 C ATOM 0 H VAL A 43 -7.629 -3.036 3.724 1.00 61.23 H new ATOM 0 HA VAL A 43 -7.008 -0.290 3.844 1.00 25.44 H new ATOM 0 HB VAL A 43 -6.683 -2.389 1.662 1.00 54.04 H new ATOM 0 HG11 VAL A 43 -5.112 -0.856 0.495 1.00 22.45 H new ATOM 0 HG12 VAL A 43 -6.775 -0.223 0.519 1.00 22.45 H new ATOM 0 HG13 VAL A 43 -5.554 0.443 1.628 1.00 22.45 H new ATOM 0 HG21 VAL A 43 -4.261 -2.281 2.331 1.00 24.24 H new ATOM 0 HG22 VAL A 43 -4.676 -1.081 3.578 1.00 24.24 H new ATOM 0 HG23 VAL A 43 -5.305 -2.741 3.696 1.00 24.24 H new ATOM 682 N ARG A 44 -9.462 -1.085 1.735 1.00 75.22 N ATOM 683 CA ARG A 44 -10.544 -0.534 0.888 1.00 74.31 C ATOM 684 C ARG A 44 -11.640 0.146 1.749 1.00 53.52 C ATOM 685 O ARG A 44 -12.311 1.057 1.270 1.00 11.44 O ATOM 686 CB ARG A 44 -11.139 -1.627 -0.052 1.00 2.13 C ATOM 687 CG ARG A 44 -11.962 -2.716 0.658 1.00 10.23 C ATOM 688 CD ARG A 44 -12.210 -3.971 -0.201 1.00 34.02 C ATOM 689 NE ARG A 44 -12.958 -3.707 -1.439 1.00 14.23 N ATOM 690 CZ ARG A 44 -14.281 -3.508 -1.526 1.00 24.23 C ATOM 691 NH1 ARG A 44 -15.062 -3.504 -0.450 1.00 41.35 N ATOM 692 NH2 ARG A 44 -14.826 -3.363 -2.717 1.00 3.05 N ATOM 0 H ARG A 44 -9.463 -2.103 1.799 1.00 75.22 H new ATOM 0 HA ARG A 44 -10.110 0.237 0.251 1.00 74.31 H new ATOM 0 HB2 ARG A 44 -11.771 -1.141 -0.795 1.00 2.13 H new ATOM 0 HB3 ARG A 44 -10.322 -2.105 -0.592 1.00 2.13 H new ATOM 0 HG2 ARG A 44 -11.446 -3.010 1.572 1.00 10.23 H new ATOM 0 HG3 ARG A 44 -12.923 -2.296 0.955 1.00 10.23 H new ATOM 0 HD2 ARG A 44 -11.250 -4.420 -0.457 1.00 34.02 H new ATOM 0 HD3 ARG A 44 -12.756 -4.704 0.393 1.00 34.02 H new ATOM 0 HE ARG A 44 -12.424 -3.672 -2.307 1.00 14.23 H new ATOM 0 HH11 ARG A 44 -14.658 -3.655 0.474 1.00 41.35 H new ATOM 0 HH12 ARG A 44 -16.065 -3.350 -0.549 1.00 41.35 H new ATOM 0 HH21 ARG A 44 -14.243 -3.403 -3.553 1.00 3.05 H new ATOM 0 HH22 ARG A 44 -15.831 -3.211 -2.803 1.00 3.05 H new ATOM 706 N GLU A 45 -11.788 -0.290 3.032 1.00 40.14 N ATOM 707 CA GLU A 45 -12.719 0.344 4.007 1.00 11.34 C ATOM 708 C GLU A 45 -12.219 1.737 4.417 1.00 75.55 C ATOM 709 O GLU A 45 -12.991 2.700 4.437 1.00 25.21 O ATOM 710 CB GLU A 45 -12.893 -0.538 5.271 1.00 71.31 C ATOM 711 CG GLU A 45 -13.619 -1.869 5.021 1.00 14.05 C ATOM 712 CD GLU A 45 -13.758 -2.704 6.296 1.00 31.53 C ATOM 713 OE1 GLU A 45 -14.885 -2.834 6.831 1.00 73.13 O ATOM 714 OE2 GLU A 45 -12.731 -3.203 6.799 1.00 64.31 O ATOM 0 H GLU A 45 -11.271 -1.082 3.415 1.00 40.14 H new ATOM 0 HA GLU A 45 -13.686 0.445 3.514 1.00 11.34 H new ATOM 0 HB2 GLU A 45 -11.909 -0.748 5.691 1.00 71.31 H new ATOM 0 HB3 GLU A 45 -13.446 0.028 6.021 1.00 71.31 H new ATOM 0 HG2 GLU A 45 -14.609 -1.669 4.611 1.00 14.05 H new ATOM 0 HG3 GLU A 45 -13.074 -2.443 4.272 1.00 14.05 H new ATOM 721 N HIS A 46 -10.912 1.822 4.735 1.00 71.11 N ATOM 722 CA HIS A 46 -10.251 3.094 5.102 1.00 1.41 C ATOM 723 C HIS A 46 -10.244 4.049 3.900 1.00 41.13 C ATOM 724 O HIS A 46 -10.380 5.263 4.051 1.00 34.43 O ATOM 725 CB HIS A 46 -8.795 2.848 5.586 1.00 40.50 C ATOM 726 CG HIS A 46 -8.695 1.960 6.804 1.00 1.42 C ATOM 727 ND1 HIS A 46 -7.813 0.905 6.893 1.00 71.01 N ATOM 728 CD2 HIS A 46 -9.366 1.978 7.982 1.00 4.44 C ATOM 729 CE1 HIS A 46 -7.942 0.318 8.062 1.00 35.14 C ATOM 730 NE2 HIS A 46 -8.877 0.947 8.741 1.00 52.41 N ATOM 0 H HIS A 46 -10.286 1.017 4.745 1.00 71.11 H new ATOM 0 HA HIS A 46 -10.814 3.544 5.920 1.00 1.41 H new ATOM 0 HB2 HIS A 46 -8.224 2.399 4.774 1.00 40.50 H new ATOM 0 HB3 HIS A 46 -8.330 3.808 5.810 1.00 40.50 H new ATOM 0 HD2 HIS A 46 -10.140 2.674 8.268 1.00 4.44 H new ATOM 0 HE1 HIS A 46 -7.377 -0.535 8.406 1.00 35.14 H new ATOM 0 HE2 HIS A 46 -9.188 0.706 9.682 1.00 52.41 H new ATOM 739 N ALA A 47 -10.113 3.452 2.708 1.00 21.04 N ATOM 740 CA ALA A 47 -10.105 4.157 1.423 1.00 64.34 C ATOM 741 C ALA A 47 -11.448 4.853 1.132 1.00 22.35 C ATOM 742 O ALA A 47 -11.473 5.896 0.469 1.00 51.54 O ATOM 743 CB ALA A 47 -9.772 3.157 0.325 1.00 31.43 C ATOM 0 H ALA A 47 -10.007 2.442 2.610 1.00 21.04 H new ATOM 0 HA ALA A 47 -9.351 4.943 1.462 1.00 64.34 H new ATOM 0 HB1 ALA A 47 -9.762 3.665 -0.639 1.00 31.43 H new ATOM 0 HB2 ALA A 47 -8.792 2.721 0.516 1.00 31.43 H new ATOM 0 HB3 ALA A 47 -10.524 2.368 0.311 1.00 31.43 H new ATOM 749 N ARG A 48 -12.559 4.259 1.628 1.00 1.15 N ATOM 750 CA ARG A 48 -13.914 4.860 1.542 1.00 23.31 C ATOM 751 C ARG A 48 -13.964 6.174 2.329 1.00 23.12 C ATOM 752 O ARG A 48 -14.603 7.137 1.905 1.00 2.33 O ATOM 753 CB ARG A 48 -14.986 3.870 2.081 1.00 12.34 C ATOM 754 CG ARG A 48 -15.111 2.566 1.261 1.00 13.51 C ATOM 755 CD ARG A 48 -16.017 1.513 1.919 1.00 12.41 C ATOM 756 NE ARG A 48 -17.418 1.954 2.018 1.00 21.14 N ATOM 757 CZ ARG A 48 -18.271 1.597 2.989 1.00 45.43 C ATOM 758 NH1 ARG A 48 -17.891 0.793 3.980 1.00 35.32 N ATOM 759 NH2 ARG A 48 -19.511 2.063 2.968 1.00 43.43 N ATOM 0 H ARG A 48 -12.543 3.354 2.097 1.00 1.15 H new ATOM 0 HA ARG A 48 -14.132 5.070 0.495 1.00 23.31 H new ATOM 0 HB2 ARG A 48 -14.744 3.616 3.113 1.00 12.34 H new ATOM 0 HB3 ARG A 48 -15.954 4.372 2.095 1.00 12.34 H new ATOM 0 HG2 ARG A 48 -15.503 2.804 0.272 1.00 13.51 H new ATOM 0 HG3 ARG A 48 -14.118 2.140 1.116 1.00 13.51 H new ATOM 0 HD2 ARG A 48 -15.971 0.589 1.343 1.00 12.41 H new ATOM 0 HD3 ARG A 48 -15.640 1.287 2.916 1.00 12.41 H new ATOM 0 HE ARG A 48 -17.767 2.580 1.292 1.00 21.14 H new ATOM 0 HH11 ARG A 48 -16.936 0.437 4.010 1.00 35.32 H new ATOM 0 HH12 ARG A 48 -18.555 0.533 4.709 1.00 35.32 H new ATOM 0 HH21 ARG A 48 -19.809 2.687 2.218 1.00 43.43 H new ATOM 0 HH22 ARG A 48 -20.168 1.798 3.702 1.00 43.43 H new ATOM 773 N GLU A 49 -13.251 6.201 3.463 1.00 33.42 N ATOM 774 CA GLU A 49 -13.192 7.376 4.347 1.00 42.23 C ATOM 775 C GLU A 49 -12.303 8.474 3.734 1.00 64.44 C ATOM 776 O GLU A 49 -12.589 9.666 3.869 1.00 42.32 O ATOM 777 CB GLU A 49 -12.689 6.970 5.754 1.00 4.52 C ATOM 778 CG GLU A 49 -13.437 5.769 6.378 1.00 11.32 C ATOM 779 CD GLU A 49 -14.973 5.905 6.322 1.00 41.23 C ATOM 780 OE1 GLU A 49 -15.531 6.763 7.048 1.00 11.25 O ATOM 781 OE2 GLU A 49 -15.631 5.172 5.546 1.00 44.24 O ATOM 0 H GLU A 49 -12.699 5.410 3.794 1.00 33.42 H new ATOM 0 HA GLU A 49 -14.198 7.782 4.452 1.00 42.23 H new ATOM 0 HB2 GLU A 49 -11.628 6.729 5.691 1.00 4.52 H new ATOM 0 HB3 GLU A 49 -12.782 7.827 6.421 1.00 4.52 H new ATOM 0 HG2 GLU A 49 -13.142 4.857 5.859 1.00 11.32 H new ATOM 0 HG3 GLU A 49 -13.127 5.658 7.417 1.00 11.32 H new ATOM 788 N LEU A 50 -11.244 8.046 3.026 1.00 63.02 N ATOM 789 CA LEU A 50 -10.319 8.955 2.316 1.00 25.50 C ATOM 790 C LEU A 50 -10.980 9.518 1.038 1.00 4.40 C ATOM 791 O LEU A 50 -10.604 10.593 0.559 1.00 42.10 O ATOM 792 CB LEU A 50 -8.997 8.207 1.993 1.00 4.22 C ATOM 793 CG LEU A 50 -8.261 7.583 3.225 1.00 1.34 C ATOM 794 CD1 LEU A 50 -6.969 6.862 2.811 1.00 51.15 C ATOM 795 CD2 LEU A 50 -7.985 8.631 4.319 1.00 51.41 C ATOM 0 H LEU A 50 -11.002 7.060 2.928 1.00 63.02 H new ATOM 0 HA LEU A 50 -10.085 9.803 2.959 1.00 25.50 H new ATOM 0 HB2 LEU A 50 -9.214 7.412 1.280 1.00 4.22 H new ATOM 0 HB3 LEU A 50 -8.318 8.902 1.499 1.00 4.22 H new ATOM 0 HG LEU A 50 -8.933 6.837 3.649 1.00 1.34 H new ATOM 0 HD11 LEU A 50 -6.487 6.443 3.694 1.00 51.15 H new ATOM 0 HD12 LEU A 50 -7.208 6.060 2.112 1.00 51.15 H new ATOM 0 HD13 LEU A 50 -6.294 7.571 2.332 1.00 51.15 H new ATOM 0 HD21 LEU A 50 -7.473 8.157 5.156 1.00 51.41 H new ATOM 0 HD22 LEU A 50 -7.358 9.425 3.913 1.00 51.41 H new ATOM 0 HD23 LEU A 50 -8.928 9.054 4.663 1.00 51.41 H new ATOM 807 N GLN A 51 -11.982 8.774 0.521 1.00 13.23 N ATOM 808 CA GLN A 51 -12.844 9.206 -0.596 1.00 63.44 C ATOM 809 C GLN A 51 -13.782 10.338 -0.128 1.00 70.25 C ATOM 810 O GLN A 51 -13.960 11.338 -0.830 1.00 23.45 O ATOM 811 CB GLN A 51 -13.674 7.999 -1.124 1.00 35.51 C ATOM 812 CG GLN A 51 -14.632 8.306 -2.300 1.00 64.11 C ATOM 813 CD GLN A 51 -13.905 8.740 -3.575 1.00 75.42 C ATOM 814 OE1 GLN A 51 -13.667 9.927 -3.807 1.00 11.15 O ATOM 815 NE2 GLN A 51 -13.543 7.782 -4.409 1.00 22.43 N ATOM 0 H GLN A 51 -12.216 7.846 0.873 1.00 13.23 H new ATOM 0 HA GLN A 51 -12.219 9.581 -1.406 1.00 63.44 H new ATOM 0 HB2 GLN A 51 -12.983 7.216 -1.437 1.00 35.51 H new ATOM 0 HB3 GLN A 51 -14.260 7.596 -0.298 1.00 35.51 H new ATOM 0 HG2 GLN A 51 -15.229 7.420 -2.514 1.00 64.11 H new ATOM 0 HG3 GLN A 51 -15.325 9.092 -2.000 1.00 64.11 H new ATOM 0 HE21 GLN A 51 -13.754 6.808 -4.190 1.00 22.43 H new ATOM 0 HE22 GLN A 51 -13.053 8.016 -5.272 1.00 22.43 H new ATOM 824 N LYS A 52 -14.351 10.159 1.089 1.00 63.25 N ATOM 825 CA LYS A 52 -15.240 11.157 1.739 1.00 11.14 C ATOM 826 C LYS A 52 -14.502 12.486 1.958 1.00 72.33 C ATOM 827 O LYS A 52 -15.057 13.567 1.740 1.00 44.14 O ATOM 828 CB LYS A 52 -15.759 10.616 3.102 1.00 42.34 C ATOM 829 CG LYS A 52 -16.655 9.371 2.989 1.00 41.03 C ATOM 830 CD LYS A 52 -17.012 8.763 4.365 1.00 41.41 C ATOM 831 CE LYS A 52 -17.872 7.498 4.241 1.00 53.32 C ATOM 832 NZ LYS A 52 -18.164 6.906 5.571 1.00 31.43 N ATOM 0 H LYS A 52 -14.207 9.319 1.649 1.00 63.25 H new ATOM 0 HA LYS A 52 -16.088 11.332 1.077 1.00 11.14 H new ATOM 0 HB2 LYS A 52 -14.904 10.378 3.734 1.00 42.34 H new ATOM 0 HB3 LYS A 52 -16.317 11.406 3.605 1.00 42.34 H new ATOM 0 HG2 LYS A 52 -17.573 9.636 2.465 1.00 41.03 H new ATOM 0 HG3 LYS A 52 -16.149 8.618 2.385 1.00 41.03 H new ATOM 0 HD2 LYS A 52 -16.094 8.524 4.902 1.00 41.41 H new ATOM 0 HD3 LYS A 52 -17.545 9.505 4.959 1.00 41.41 H new ATOM 0 HE2 LYS A 52 -18.807 7.741 3.736 1.00 53.32 H new ATOM 0 HE3 LYS A 52 -17.356 6.765 3.621 1.00 53.32 H new ATOM 0 HZ1 LYS A 52 -18.405 5.901 5.458 1.00 31.43 H new ATOM 0 HZ2 LYS A 52 -17.327 6.995 6.182 1.00 31.43 H new ATOM 0 HZ3 LYS A 52 -18.965 7.407 6.006 1.00 31.43 H new ATOM 846 N GLN A 53 -13.240 12.369 2.393 1.00 71.10 N ATOM 847 CA GLN A 53 -12.350 13.521 2.605 1.00 23.13 C ATOM 848 C GLN A 53 -11.882 14.110 1.265 1.00 40.21 C ATOM 849 O GLN A 53 -11.628 15.311 1.173 1.00 44.13 O ATOM 850 CB GLN A 53 -11.136 13.107 3.474 1.00 51.34 C ATOM 851 CG GLN A 53 -11.513 12.593 4.873 1.00 4.51 C ATOM 852 CD GLN A 53 -10.300 12.199 5.708 1.00 1.44 C ATOM 853 OE1 GLN A 53 -9.739 13.018 6.436 1.00 32.33 O ATOM 854 NE2 GLN A 53 -9.874 10.950 5.600 1.00 33.30 N ATOM 0 H GLN A 53 -12.806 11.472 2.608 1.00 71.10 H new ATOM 0 HA GLN A 53 -12.910 14.294 3.132 1.00 23.13 H new ATOM 0 HB2 GLN A 53 -10.577 12.331 2.952 1.00 51.34 H new ATOM 0 HB3 GLN A 53 -10.470 13.963 3.580 1.00 51.34 H new ATOM 0 HG2 GLN A 53 -12.074 13.365 5.399 1.00 4.51 H new ATOM 0 HG3 GLN A 53 -12.173 11.732 4.772 1.00 4.51 H new ATOM 0 HE21 GLN A 53 -10.362 10.296 4.988 1.00 33.30 H new ATOM 0 HE22 GLN A 53 -9.058 10.642 6.129 1.00 33.30 H new ATOM 863 N GLY A 54 -11.793 13.249 0.233 1.00 72.45 N ATOM 864 CA GLY A 54 -11.353 13.653 -1.102 1.00 24.34 C ATOM 865 C GLY A 54 -9.874 14.024 -1.149 1.00 64.43 C ATOM 866 O GLY A 54 -9.506 15.064 -1.708 1.00 12.32 O ATOM 0 H GLY A 54 -12.025 12.259 0.308 1.00 72.45 H new ATOM 0 HA2 GLY A 54 -11.542 12.840 -1.803 1.00 24.34 H new ATOM 0 HA3 GLY A 54 -11.947 14.504 -1.433 1.00 24.34 H new ATOM 870 N ILE A 55 -9.031 13.172 -0.538 1.00 31.01 N ATOM 871 CA ILE A 55 -7.577 13.397 -0.454 1.00 35.53 C ATOM 872 C ILE A 55 -6.908 13.001 -1.780 1.00 25.41 C ATOM 873 O ILE A 55 -6.850 11.814 -2.128 1.00 44.44 O ATOM 874 CB ILE A 55 -6.926 12.584 0.731 1.00 53.42 C ATOM 875 CG1 ILE A 55 -7.651 12.910 2.074 1.00 63.24 C ATOM 876 CG2 ILE A 55 -5.399 12.866 0.828 1.00 53.43 C ATOM 877 CD1 ILE A 55 -7.166 12.117 3.272 1.00 24.40 C ATOM 0 H ILE A 55 -9.338 12.309 -0.089 1.00 31.01 H new ATOM 0 HA ILE A 55 -7.418 14.458 -0.261 1.00 35.53 H new ATOM 0 HB ILE A 55 -7.049 11.520 0.529 1.00 53.42 H new ATOM 0 HG12 ILE A 55 -7.529 13.972 2.287 1.00 63.24 H new ATOM 0 HG13 ILE A 55 -8.719 12.731 1.946 1.00 63.24 H new ATOM 0 HG21 ILE A 55 -4.975 12.293 1.653 1.00 53.43 H new ATOM 0 HG22 ILE A 55 -4.915 12.573 -0.104 1.00 53.43 H new ATOM 0 HG23 ILE A 55 -5.236 13.929 1.003 1.00 53.43 H new ATOM 0 HD11 ILE A 55 -7.729 12.414 4.157 1.00 24.40 H new ATOM 0 HD12 ILE A 55 -7.314 11.053 3.088 1.00 24.40 H new ATOM 0 HD13 ILE A 55 -6.106 12.314 3.434 1.00 24.40 H new ATOM 889 N HIS A 56 -6.438 14.004 -2.534 1.00 52.00 N ATOM 890 CA HIS A 56 -5.661 13.781 -3.754 1.00 71.34 C ATOM 891 C HIS A 56 -4.171 13.756 -3.375 1.00 41.12 C ATOM 892 O HIS A 56 -3.652 14.734 -2.846 1.00 10.55 O ATOM 893 CB HIS A 56 -5.947 14.893 -4.797 1.00 0.43 C ATOM 894 CG HIS A 56 -5.308 14.679 -6.158 1.00 1.22 C ATOM 895 ND1 HIS A 56 -6.044 14.474 -7.310 1.00 41.22 N ATOM 896 CD2 HIS A 56 -4.008 14.673 -6.557 1.00 31.23 C ATOM 897 CE1 HIS A 56 -5.232 14.354 -8.339 1.00 53.22 C ATOM 898 NE2 HIS A 56 -3.999 14.470 -7.909 1.00 74.32 N ATOM 0 H HIS A 56 -6.587 14.989 -2.314 1.00 52.00 H new ATOM 0 HA HIS A 56 -5.944 12.831 -4.208 1.00 71.34 H new ATOM 0 HB2 HIS A 56 -7.026 14.978 -4.929 1.00 0.43 H new ATOM 0 HB3 HIS A 56 -5.599 15.845 -4.395 1.00 0.43 H new ATOM 0 HD2 HIS A 56 -3.143 14.804 -5.923 1.00 31.23 H new ATOM 0 HE1 HIS A 56 -5.531 14.188 -9.364 1.00 53.22 H new ATOM 0 HE2 HIS A 56 -3.164 14.417 -8.492 1.00 74.32 H new ATOM 907 N PHE A 57 -3.511 12.635 -3.649 1.00 61.30 N ATOM 908 CA PHE A 57 -2.062 12.457 -3.442 1.00 72.10 C ATOM 909 C PHE A 57 -1.439 11.872 -4.717 1.00 2.20 C ATOM 910 O PHE A 57 -2.146 11.262 -5.533 1.00 51.52 O ATOM 911 CB PHE A 57 -1.787 11.543 -2.208 1.00 12.24 C ATOM 912 CG PHE A 57 -2.572 10.231 -2.213 1.00 32.32 C ATOM 913 CD1 PHE A 57 -2.125 9.126 -2.940 1.00 24.40 C ATOM 914 CD2 PHE A 57 -3.779 10.116 -1.519 1.00 42.45 C ATOM 915 CE1 PHE A 57 -2.851 7.960 -2.971 1.00 22.32 C ATOM 916 CE2 PHE A 57 -4.502 8.941 -1.549 1.00 33.35 C ATOM 917 CZ PHE A 57 -4.036 7.869 -2.281 1.00 3.41 C ATOM 0 H PHE A 57 -3.968 11.806 -4.028 1.00 61.30 H new ATOM 0 HA PHE A 57 -1.604 13.424 -3.236 1.00 72.10 H new ATOM 0 HB2 PHE A 57 -0.722 11.316 -2.168 1.00 12.24 H new ATOM 0 HB3 PHE A 57 -2.029 12.095 -1.300 1.00 12.24 H new ATOM 0 HD1 PHE A 57 -1.195 9.189 -3.486 1.00 24.40 H new ATOM 0 HD2 PHE A 57 -4.151 10.957 -0.952 1.00 42.45 H new ATOM 0 HE1 PHE A 57 -2.490 7.115 -3.538 1.00 22.32 H new ATOM 0 HE2 PHE A 57 -5.429 8.861 -1.001 1.00 33.35 H new ATOM 0 HZ PHE A 57 -4.606 6.952 -2.312 1.00 3.41 H new ATOM 927 N GLU A 58 -0.124 12.054 -4.873 1.00 70.14 N ATOM 928 CA GLU A 58 0.630 11.560 -6.038 1.00 72.41 C ATOM 929 C GLU A 58 1.919 10.861 -5.572 1.00 21.31 C ATOM 930 O GLU A 58 2.670 11.412 -4.762 1.00 42.04 O ATOM 931 CB GLU A 58 0.947 12.744 -7.004 1.00 20.33 C ATOM 932 CG GLU A 58 1.724 13.924 -6.363 1.00 14.41 C ATOM 933 CD GLU A 58 2.096 15.036 -7.354 1.00 64.44 C ATOM 934 OE1 GLU A 58 3.241 15.059 -7.851 1.00 73.24 O ATOM 935 OE2 GLU A 58 1.234 15.886 -7.658 1.00 42.44 O ATOM 0 H GLU A 58 0.453 12.550 -4.194 1.00 70.14 H new ATOM 0 HA GLU A 58 0.027 10.831 -6.579 1.00 72.41 H new ATOM 0 HB2 GLU A 58 1.526 12.362 -7.845 1.00 20.33 H new ATOM 0 HB3 GLU A 58 0.009 13.124 -7.409 1.00 20.33 H new ATOM 0 HG2 GLU A 58 1.120 14.351 -5.562 1.00 14.41 H new ATOM 0 HG3 GLU A 58 2.635 13.540 -5.905 1.00 14.41 H new ATOM 942 N VAL A 59 2.162 9.636 -6.079 1.00 34.40 N ATOM 943 CA VAL A 59 3.391 8.881 -5.775 1.00 52.55 C ATOM 944 C VAL A 59 4.583 9.503 -6.538 1.00 63.31 C ATOM 945 O VAL A 59 4.554 9.641 -7.766 1.00 61.45 O ATOM 946 CB VAL A 59 3.252 7.336 -6.089 1.00 22.22 C ATOM 947 CG1 VAL A 59 2.770 7.069 -7.533 1.00 31.30 C ATOM 948 CG2 VAL A 59 4.576 6.579 -5.788 1.00 33.41 C ATOM 0 H VAL A 59 1.520 9.148 -6.703 1.00 34.40 H new ATOM 0 HA VAL A 59 3.571 8.955 -4.702 1.00 52.55 H new ATOM 0 HB VAL A 59 2.481 6.947 -5.423 1.00 22.22 H new ATOM 0 HG11 VAL A 59 2.691 5.994 -7.697 1.00 31.30 H new ATOM 0 HG12 VAL A 59 1.794 7.532 -7.682 1.00 31.30 H new ATOM 0 HG13 VAL A 59 3.484 7.493 -8.239 1.00 31.30 H new ATOM 0 HG21 VAL A 59 4.449 5.520 -6.014 1.00 33.41 H new ATOM 0 HG22 VAL A 59 5.377 6.988 -6.404 1.00 33.41 H new ATOM 0 HG23 VAL A 59 4.832 6.698 -4.735 1.00 33.41 H new ATOM 958 N LYS A 60 5.599 9.924 -5.776 1.00 22.21 N ATOM 959 CA LYS A 60 6.821 10.558 -6.299 1.00 33.33 C ATOM 960 C LYS A 60 7.907 9.501 -6.494 1.00 4.43 C ATOM 961 O LYS A 60 8.561 9.435 -7.541 1.00 4.55 O ATOM 962 CB LYS A 60 7.319 11.637 -5.299 1.00 63.20 C ATOM 963 CG LYS A 60 6.245 12.654 -4.873 1.00 63.21 C ATOM 964 CD LYS A 60 5.659 13.463 -6.046 1.00 64.12 C ATOM 965 CE LYS A 60 6.709 14.341 -6.750 1.00 52.13 C ATOM 966 NZ LYS A 60 6.094 15.220 -7.780 1.00 4.54 N ATOM 0 H LYS A 60 5.598 9.833 -4.760 1.00 22.21 H new ATOM 0 HA LYS A 60 6.599 11.028 -7.257 1.00 33.33 H new ATOM 0 HB2 LYS A 60 7.704 11.140 -4.409 1.00 63.20 H new ATOM 0 HB3 LYS A 60 8.153 12.175 -5.750 1.00 63.20 H new ATOM 0 HG2 LYS A 60 5.437 12.125 -4.368 1.00 63.21 H new ATOM 0 HG3 LYS A 60 6.677 13.343 -4.148 1.00 63.21 H new ATOM 0 HD2 LYS A 60 5.221 12.777 -6.771 1.00 64.12 H new ATOM 0 HD3 LYS A 60 4.852 14.096 -5.677 1.00 64.12 H new ATOM 0 HE2 LYS A 60 7.225 14.954 -6.011 1.00 52.13 H new ATOM 0 HE3 LYS A 60 7.461 13.705 -7.217 1.00 52.13 H new ATOM 0 HZ1 LYS A 60 6.430 14.937 -8.723 1.00 4.54 H new ATOM 0 HZ2 LYS A 60 5.059 15.130 -7.740 1.00 4.54 H new ATOM 0 HZ3 LYS A 60 6.363 16.208 -7.599 1.00 4.54 H new ATOM 980 N ARG A 61 8.084 8.680 -5.451 1.00 60.11 N ATOM 981 CA ARG A 61 9.108 7.626 -5.393 1.00 44.43 C ATOM 982 C ARG A 61 8.474 6.388 -4.760 1.00 0.10 C ATOM 983 O ARG A 61 7.700 6.525 -3.817 1.00 21.24 O ATOM 984 CB ARG A 61 10.315 8.109 -4.522 1.00 40.10 C ATOM 985 CG ARG A 61 11.587 7.229 -4.588 1.00 63.43 C ATOM 986 CD ARG A 61 12.246 7.241 -5.981 1.00 10.32 C ATOM 987 NE ARG A 61 12.523 8.620 -6.441 1.00 3.23 N ATOM 988 CZ ARG A 61 13.729 9.131 -6.727 1.00 45.43 C ATOM 989 NH1 ARG A 61 14.837 8.401 -6.629 1.00 65.13 N ATOM 990 NH2 ARG A 61 13.819 10.391 -7.118 1.00 44.25 N ATOM 0 H ARG A 61 7.511 8.729 -4.609 1.00 60.11 H new ATOM 0 HA ARG A 61 9.473 7.395 -6.394 1.00 44.43 H new ATOM 0 HB2 ARG A 61 10.579 9.121 -4.830 1.00 40.10 H new ATOM 0 HB3 ARG A 61 9.989 8.167 -3.483 1.00 40.10 H new ATOM 0 HG2 ARG A 61 12.306 7.580 -3.847 1.00 63.43 H new ATOM 0 HG3 ARG A 61 11.329 6.204 -4.321 1.00 63.43 H new ATOM 0 HD2 ARG A 61 13.176 6.674 -5.949 1.00 10.32 H new ATOM 0 HD3 ARG A 61 11.593 6.742 -6.697 1.00 10.32 H new ATOM 0 HE ARG A 61 11.721 9.240 -6.551 1.00 3.23 H new ATOM 0 HH11 ARG A 61 14.781 7.427 -6.330 1.00 65.13 H new ATOM 0 HH12 ARG A 61 15.742 8.815 -6.853 1.00 65.13 H new ATOM 0 HH21 ARG A 61 12.977 10.961 -7.199 1.00 44.25 H new ATOM 0 HH22 ARG A 61 14.730 10.793 -7.339 1.00 44.25 H new ATOM 1004 N VAL A 62 8.794 5.201 -5.286 1.00 14.35 N ATOM 1005 CA VAL A 62 8.421 3.918 -4.678 1.00 24.52 C ATOM 1006 C VAL A 62 9.627 2.962 -4.786 1.00 42.32 C ATOM 1007 O VAL A 62 9.997 2.500 -5.874 1.00 1.42 O ATOM 1008 CB VAL A 62 7.103 3.310 -5.319 1.00 55.12 C ATOM 1009 CG1 VAL A 62 7.171 3.213 -6.866 1.00 31.35 C ATOM 1010 CG2 VAL A 62 6.731 1.951 -4.662 1.00 22.23 C ATOM 0 H VAL A 62 9.323 5.102 -6.152 1.00 14.35 H new ATOM 0 HA VAL A 62 8.178 4.071 -3.626 1.00 24.52 H new ATOM 0 HB VAL A 62 6.298 4.012 -5.103 1.00 55.12 H new ATOM 0 HG11 VAL A 62 6.241 2.790 -7.245 1.00 31.35 H new ATOM 0 HG12 VAL A 62 7.315 4.208 -7.287 1.00 31.35 H new ATOM 0 HG13 VAL A 62 8.005 2.573 -7.154 1.00 31.35 H new ATOM 0 HG21 VAL A 62 5.824 1.560 -5.123 1.00 22.23 H new ATOM 0 HG22 VAL A 62 7.546 1.242 -4.807 1.00 22.23 H new ATOM 0 HG23 VAL A 62 6.562 2.097 -3.595 1.00 22.23 H new ATOM 1020 N GLU A 63 10.269 2.718 -3.638 1.00 43.44 N ATOM 1021 CA GLU A 63 11.459 1.857 -3.515 1.00 72.31 C ATOM 1022 C GLU A 63 11.131 0.696 -2.584 1.00 0.15 C ATOM 1023 O GLU A 63 10.312 0.839 -1.675 1.00 3.33 O ATOM 1024 CB GLU A 63 12.661 2.667 -2.954 1.00 72.12 C ATOM 1025 CG GLU A 63 13.127 3.820 -3.868 1.00 42.21 C ATOM 1026 CD GLU A 63 14.349 4.576 -3.320 1.00 3.55 C ATOM 1027 OE1 GLU A 63 15.496 4.215 -3.666 1.00 14.10 O ATOM 1028 OE2 GLU A 63 14.173 5.534 -2.540 1.00 23.12 O ATOM 0 H GLU A 63 9.973 3.120 -2.748 1.00 43.44 H new ATOM 0 HA GLU A 63 11.735 1.477 -4.499 1.00 72.31 H new ATOM 0 HB2 GLU A 63 12.387 3.077 -1.982 1.00 72.12 H new ATOM 0 HB3 GLU A 63 13.497 1.988 -2.789 1.00 72.12 H new ATOM 0 HG2 GLU A 63 13.368 3.419 -4.852 1.00 42.21 H new ATOM 0 HG3 GLU A 63 12.305 4.522 -4.003 1.00 42.21 H new ATOM 1035 N VAL A 64 11.798 -0.434 -2.802 1.00 64.41 N ATOM 1036 CA VAL A 64 11.571 -1.678 -2.060 1.00 52.40 C ATOM 1037 C VAL A 64 12.904 -2.161 -1.453 1.00 33.40 C ATOM 1038 O VAL A 64 13.915 -2.264 -2.153 1.00 70.42 O ATOM 1039 CB VAL A 64 10.919 -2.763 -3.008 1.00 12.52 C ATOM 1040 CG1 VAL A 64 11.762 -3.035 -4.281 1.00 71.44 C ATOM 1041 CG2 VAL A 64 10.605 -4.064 -2.251 1.00 61.32 C ATOM 0 H VAL A 64 12.526 -0.516 -3.512 1.00 64.41 H new ATOM 0 HA VAL A 64 10.873 -1.505 -1.241 1.00 52.40 H new ATOM 0 HB VAL A 64 9.974 -2.341 -3.349 1.00 12.52 H new ATOM 0 HG11 VAL A 64 11.265 -3.788 -4.893 1.00 71.44 H new ATOM 0 HG12 VAL A 64 11.865 -2.113 -4.853 1.00 71.44 H new ATOM 0 HG13 VAL A 64 12.750 -3.396 -3.993 1.00 71.44 H new ATOM 0 HG21 VAL A 64 10.158 -4.785 -2.936 1.00 61.32 H new ATOM 0 HG22 VAL A 64 11.526 -4.477 -1.840 1.00 61.32 H new ATOM 0 HG23 VAL A 64 9.908 -3.854 -1.440 1.00 61.32 H new ATOM 1051 N THR A 65 12.917 -2.399 -0.132 1.00 55.20 N ATOM 1052 CA THR A 65 14.109 -2.861 0.597 1.00 51.13 C ATOM 1053 C THR A 65 13.718 -4.043 1.494 1.00 1.32 C ATOM 1054 O THR A 65 12.918 -3.882 2.413 1.00 31.42 O ATOM 1055 CB THR A 65 14.716 -1.707 1.477 1.00 44.23 C ATOM 1056 OG1 THR A 65 14.904 -0.528 0.678 1.00 32.43 O ATOM 1057 CG2 THR A 65 16.063 -2.106 2.106 1.00 54.15 C ATOM 0 H THR A 65 12.098 -2.276 0.463 1.00 55.20 H new ATOM 0 HA THR A 65 14.865 -3.170 -0.125 1.00 51.13 H new ATOM 0 HB THR A 65 14.009 -1.511 2.283 1.00 44.23 H new ATOM 0 HG1 THR A 65 15.281 0.187 1.233 1.00 32.43 H new ATOM 0 HG21 THR A 65 16.444 -1.279 2.705 1.00 54.15 H new ATOM 0 HG22 THR A 65 15.923 -2.980 2.742 1.00 54.15 H new ATOM 0 HG23 THR A 65 16.777 -2.342 1.317 1.00 54.15 H new ATOM 1065 N THR A 66 14.298 -5.217 1.236 1.00 23.01 N ATOM 1066 CA THR A 66 14.012 -6.435 2.005 1.00 12.43 C ATOM 1067 C THR A 66 14.956 -6.513 3.212 1.00 12.04 C ATOM 1068 O THR A 66 16.174 -6.397 3.056 1.00 44.52 O ATOM 1069 CB THR A 66 14.169 -7.706 1.105 1.00 3.41 C ATOM 1070 OG1 THR A 66 15.498 -7.776 0.544 1.00 4.32 O ATOM 1071 CG2 THR A 66 13.140 -7.707 -0.039 1.00 3.34 C ATOM 0 H THR A 66 14.979 -5.353 0.489 1.00 23.01 H new ATOM 0 HA THR A 66 12.981 -6.397 2.358 1.00 12.43 H new ATOM 0 HB THR A 66 13.997 -8.575 1.740 1.00 3.41 H new ATOM 0 HG1 THR A 66 16.144 -7.418 1.188 1.00 4.32 H new ATOM 0 HG21 THR A 66 13.273 -8.602 -0.647 1.00 3.34 H new ATOM 0 HG22 THR A 66 12.133 -7.698 0.378 1.00 3.34 H new ATOM 0 HG23 THR A 66 13.284 -6.822 -0.659 1.00 3.34 H new ATOM 1079 N ASP A 67 14.384 -6.687 4.407 1.00 34.11 N ATOM 1080 CA ASP A 67 15.137 -6.748 5.667 1.00 4.42 C ATOM 1081 C ASP A 67 14.636 -7.955 6.469 1.00 24.51 C ATOM 1082 O ASP A 67 13.553 -7.905 7.069 1.00 52.14 O ATOM 1083 CB ASP A 67 14.959 -5.419 6.452 1.00 30.40 C ATOM 1084 CG ASP A 67 15.847 -5.327 7.705 1.00 15.35 C ATOM 1085 OD1 ASP A 67 15.385 -5.681 8.812 1.00 30.42 O ATOM 1086 OD2 ASP A 67 17.014 -4.880 7.585 1.00 74.50 O ATOM 0 H ASP A 67 13.377 -6.791 4.530 1.00 34.11 H new ATOM 0 HA ASP A 67 16.203 -6.871 5.476 1.00 4.42 H new ATOM 0 HB2 ASP A 67 15.187 -4.582 5.792 1.00 30.40 H new ATOM 0 HB3 ASP A 67 13.915 -5.317 6.747 1.00 30.40 H new ATOM 1091 N GLY A 68 15.416 -9.049 6.418 1.00 75.11 N ATOM 1092 CA GLY A 68 15.050 -10.321 7.038 1.00 44.44 C ATOM 1093 C GLY A 68 13.817 -10.945 6.387 1.00 54.55 C ATOM 1094 O GLY A 68 13.872 -11.367 5.226 1.00 22.20 O ATOM 0 H GLY A 68 16.318 -9.069 5.943 1.00 75.11 H new ATOM 0 HA2 GLY A 68 15.888 -11.014 6.964 1.00 44.44 H new ATOM 0 HA3 GLY A 68 14.859 -10.164 8.100 1.00 44.44 H new ATOM 1098 N ASN A 69 12.696 -10.971 7.126 1.00 74.54 N ATOM 1099 CA ASN A 69 11.400 -11.522 6.647 1.00 20.54 C ATOM 1100 C ASN A 69 10.323 -10.421 6.631 1.00 23.01 C ATOM 1101 O ASN A 69 9.122 -10.703 6.693 1.00 52.11 O ATOM 1102 CB ASN A 69 10.963 -12.719 7.542 1.00 64.54 C ATOM 1103 CG ASN A 69 11.985 -13.862 7.538 1.00 41.23 C ATOM 1104 OD1 ASN A 69 12.917 -13.886 8.344 1.00 42.20 O ATOM 1105 ND2 ASN A 69 11.814 -14.824 6.637 1.00 34.01 N ATOM 0 H ASN A 69 12.654 -10.610 8.079 1.00 74.54 H new ATOM 0 HA ASN A 69 11.525 -11.886 5.627 1.00 20.54 H new ATOM 0 HB2 ASN A 69 10.818 -12.370 8.564 1.00 64.54 H new ATOM 0 HB3 ASN A 69 10.001 -13.096 7.194 1.00 64.54 H new ATOM 0 HD21 ASN A 69 12.464 -15.609 6.600 1.00 34.01 H new ATOM 0 HD22 ASN A 69 11.033 -14.777 5.983 1.00 34.01 H new ATOM 1112 N THR A 70 10.767 -9.157 6.544 1.00 2.41 N ATOM 1113 CA THR A 70 9.876 -7.997 6.423 1.00 23.30 C ATOM 1114 C THR A 70 10.389 -7.074 5.302 1.00 32.55 C ATOM 1115 O THR A 70 11.534 -6.610 5.349 1.00 52.51 O ATOM 1116 CB THR A 70 9.786 -7.205 7.764 1.00 1.13 C ATOM 1117 OG1 THR A 70 9.554 -8.108 8.854 1.00 24.13 O ATOM 1118 CG2 THR A 70 8.651 -6.185 7.736 1.00 22.14 C ATOM 0 H THR A 70 11.757 -8.912 6.556 1.00 2.41 H new ATOM 0 HA THR A 70 8.876 -8.356 6.180 1.00 23.30 H new ATOM 0 HB THR A 70 10.733 -6.681 7.896 1.00 1.13 H new ATOM 0 HG1 THR A 70 9.501 -7.603 9.692 1.00 24.13 H new ATOM 0 HG21 THR A 70 8.618 -5.652 8.686 1.00 22.14 H new ATOM 0 HG22 THR A 70 8.820 -5.475 6.927 1.00 22.14 H new ATOM 0 HG23 THR A 70 7.704 -6.699 7.575 1.00 22.14 H new ATOM 1126 N VAL A 71 9.543 -6.818 4.297 1.00 10.23 N ATOM 1127 CA VAL A 71 9.906 -6.008 3.130 1.00 71.54 C ATOM 1128 C VAL A 71 9.404 -4.560 3.311 1.00 45.15 C ATOM 1129 O VAL A 71 8.217 -4.266 3.152 1.00 15.42 O ATOM 1130 CB VAL A 71 9.327 -6.642 1.817 1.00 14.14 C ATOM 1131 CG1 VAL A 71 9.789 -5.864 0.571 1.00 23.51 C ATOM 1132 CG2 VAL A 71 9.711 -8.133 1.725 1.00 64.24 C ATOM 0 H VAL A 71 8.585 -7.168 4.271 1.00 10.23 H new ATOM 0 HA VAL A 71 10.992 -5.987 3.042 1.00 71.54 H new ATOM 0 HB VAL A 71 8.240 -6.574 1.855 1.00 14.14 H new ATOM 0 HG11 VAL A 71 9.372 -6.327 -0.323 1.00 23.51 H new ATOM 0 HG12 VAL A 71 9.446 -4.832 0.639 1.00 23.51 H new ATOM 0 HG13 VAL A 71 10.877 -5.881 0.514 1.00 23.51 H new ATOM 0 HG21 VAL A 71 9.302 -8.558 0.809 1.00 64.24 H new ATOM 0 HG22 VAL A 71 10.797 -8.229 1.716 1.00 64.24 H new ATOM 0 HG23 VAL A 71 9.306 -8.667 2.585 1.00 64.24 H new ATOM 1142 N ASN A 72 10.346 -3.674 3.637 1.00 64.11 N ATOM 1143 CA ASN A 72 10.098 -2.248 3.895 1.00 33.23 C ATOM 1144 C ASN A 72 10.076 -1.481 2.557 1.00 45.24 C ATOM 1145 O ASN A 72 11.129 -1.213 1.963 1.00 1.51 O ATOM 1146 CB ASN A 72 11.219 -1.686 4.820 1.00 72.03 C ATOM 1147 CG ASN A 72 11.385 -2.489 6.118 1.00 23.44 C ATOM 1148 OD1 ASN A 72 10.776 -2.180 7.136 1.00 72.35 O ATOM 1149 ND2 ASN A 72 12.199 -3.542 6.081 1.00 64.54 N ATOM 0 H ASN A 72 11.328 -3.931 3.732 1.00 64.11 H new ATOM 0 HA ASN A 72 9.135 -2.125 4.390 1.00 33.23 H new ATOM 0 HB2 ASN A 72 12.164 -1.685 4.277 1.00 72.03 H new ATOM 0 HB3 ASN A 72 10.992 -0.649 5.067 1.00 72.03 H new ATOM 0 HD21 ASN A 72 12.329 -4.116 6.914 1.00 64.54 H new ATOM 0 HD22 ASN A 72 12.693 -3.775 5.219 1.00 64.54 H new ATOM 1156 N VAL A 73 8.867 -1.182 2.071 1.00 61.32 N ATOM 1157 CA VAL A 73 8.657 -0.369 0.869 1.00 54.53 C ATOM 1158 C VAL A 73 8.554 1.117 1.272 1.00 54.14 C ATOM 1159 O VAL A 73 7.554 1.556 1.855 1.00 51.33 O ATOM 1160 CB VAL A 73 7.376 -0.829 0.070 1.00 34.43 C ATOM 1161 CG1 VAL A 73 7.152 0.049 -1.190 1.00 71.42 C ATOM 1162 CG2 VAL A 73 7.485 -2.330 -0.300 1.00 54.23 C ATOM 0 H VAL A 73 8.000 -1.500 2.504 1.00 61.32 H new ATOM 0 HA VAL A 73 9.509 -0.505 0.203 1.00 54.53 H new ATOM 0 HB VAL A 73 6.505 -0.698 0.713 1.00 34.43 H new ATOM 0 HG11 VAL A 73 6.262 -0.293 -1.718 1.00 71.42 H new ATOM 0 HG12 VAL A 73 7.019 1.088 -0.890 1.00 71.42 H new ATOM 0 HG13 VAL A 73 8.018 -0.031 -1.848 1.00 71.42 H new ATOM 0 HG21 VAL A 73 6.595 -2.635 -0.851 1.00 54.23 H new ATOM 0 HG22 VAL A 73 8.367 -2.489 -0.920 1.00 54.23 H new ATOM 0 HG23 VAL A 73 7.569 -2.924 0.610 1.00 54.23 H new ATOM 1172 N THR A 74 9.629 1.865 0.980 1.00 42.01 N ATOM 1173 CA THR A 74 9.729 3.301 1.258 1.00 22.31 C ATOM 1174 C THR A 74 9.193 4.087 0.048 1.00 23.43 C ATOM 1175 O THR A 74 9.817 4.104 -1.021 1.00 1.13 O ATOM 1176 CB THR A 74 11.213 3.697 1.548 1.00 73.05 C ATOM 1177 OG1 THR A 74 11.733 2.883 2.620 1.00 32.40 O ATOM 1178 CG2 THR A 74 11.363 5.191 1.914 1.00 72.45 C ATOM 0 H THR A 74 10.464 1.481 0.538 1.00 42.01 H new ATOM 0 HA THR A 74 9.134 3.541 2.139 1.00 22.31 H new ATOM 0 HB THR A 74 11.780 3.525 0.633 1.00 73.05 H new ATOM 0 HG1 THR A 74 12.664 3.132 2.798 1.00 32.40 H new ATOM 0 HG21 THR A 74 12.412 5.415 2.106 1.00 72.45 H new ATOM 0 HG22 THR A 74 11.006 5.806 1.088 1.00 72.45 H new ATOM 0 HG23 THR A 74 10.776 5.408 2.807 1.00 72.45 H new ATOM 1186 N VAL A 75 8.026 4.714 0.218 1.00 5.12 N ATOM 1187 CA VAL A 75 7.308 5.394 -0.866 1.00 24.03 C ATOM 1188 C VAL A 75 6.974 6.856 -0.453 1.00 25.25 C ATOM 1189 O VAL A 75 6.277 7.097 0.537 1.00 2.15 O ATOM 1190 CB VAL A 75 6.025 4.557 -1.266 1.00 30.31 C ATOM 1191 CG1 VAL A 75 5.152 4.217 -0.047 1.00 51.14 C ATOM 1192 CG2 VAL A 75 5.205 5.243 -2.380 1.00 54.34 C ATOM 0 H VAL A 75 7.548 4.765 1.118 1.00 5.12 H new ATOM 0 HA VAL A 75 7.940 5.456 -1.752 1.00 24.03 H new ATOM 0 HB VAL A 75 6.387 3.613 -1.673 1.00 30.31 H new ATOM 0 HG11 VAL A 75 4.284 3.643 -0.370 1.00 51.14 H new ATOM 0 HG12 VAL A 75 5.733 3.629 0.664 1.00 51.14 H new ATOM 0 HG13 VAL A 75 4.820 5.139 0.431 1.00 51.14 H new ATOM 0 HG21 VAL A 75 4.335 4.632 -2.620 1.00 54.34 H new ATOM 0 HG22 VAL A 75 4.876 6.224 -2.038 1.00 54.34 H new ATOM 0 HG23 VAL A 75 5.825 5.358 -3.269 1.00 54.34 H new ATOM 1202 N GLU A 76 7.552 7.819 -1.197 1.00 62.41 N ATOM 1203 CA GLU A 76 7.283 9.260 -1.037 1.00 53.43 C ATOM 1204 C GLU A 76 6.022 9.627 -1.831 1.00 53.40 C ATOM 1205 O GLU A 76 5.865 9.177 -2.970 1.00 64.31 O ATOM 1206 CB GLU A 76 8.491 10.095 -1.557 1.00 74.43 C ATOM 1207 CG GLU A 76 8.287 11.633 -1.534 1.00 25.42 C ATOM 1208 CD GLU A 76 8.225 12.243 -0.119 1.00 50.53 C ATOM 1209 OE1 GLU A 76 9.247 12.798 0.340 1.00 35.22 O ATOM 1210 OE2 GLU A 76 7.161 12.180 0.529 1.00 51.13 O ATOM 0 H GLU A 76 8.227 7.615 -1.934 1.00 62.41 H new ATOM 0 HA GLU A 76 7.133 9.482 0.019 1.00 53.43 H new ATOM 0 HB2 GLU A 76 9.367 9.851 -0.956 1.00 74.43 H new ATOM 0 HB3 GLU A 76 8.711 9.789 -2.580 1.00 74.43 H new ATOM 0 HG2 GLU A 76 9.101 12.104 -2.085 1.00 25.42 H new ATOM 0 HG3 GLU A 76 7.364 11.873 -2.062 1.00 25.42 H new ATOM 1217 N LEU A 77 5.127 10.424 -1.218 1.00 72.15 N ATOM 1218 CA LEU A 77 3.907 10.936 -1.877 1.00 70.42 C ATOM 1219 C LEU A 77 3.707 12.411 -1.514 1.00 63.20 C ATOM 1220 O LEU A 77 3.955 12.803 -0.382 1.00 75.25 O ATOM 1221 CB LEU A 77 2.623 10.136 -1.478 1.00 51.24 C ATOM 1222 CG LEU A 77 2.616 8.593 -1.787 1.00 24.44 C ATOM 1223 CD1 LEU A 77 3.227 7.777 -0.634 1.00 20.51 C ATOM 1224 CD2 LEU A 77 1.200 8.096 -2.132 1.00 62.30 C ATOM 0 H LEU A 77 5.228 10.732 -0.251 1.00 72.15 H new ATOM 0 HA LEU A 77 4.051 10.816 -2.951 1.00 70.42 H new ATOM 0 HB2 LEU A 77 2.461 10.268 -0.408 1.00 51.24 H new ATOM 0 HB3 LEU A 77 1.771 10.587 -1.987 1.00 51.24 H new ATOM 0 HG LEU A 77 3.245 8.438 -2.663 1.00 24.44 H new ATOM 0 HD11 LEU A 77 3.204 6.717 -0.886 1.00 20.51 H new ATOM 0 HD12 LEU A 77 4.259 8.089 -0.474 1.00 20.51 H new ATOM 0 HD13 LEU A 77 2.652 7.946 0.276 1.00 20.51 H new ATOM 0 HD21 LEU A 77 1.230 7.026 -2.340 1.00 62.30 H new ATOM 0 HD22 LEU A 77 0.534 8.283 -1.290 1.00 62.30 H new ATOM 0 HD23 LEU A 77 0.832 8.626 -3.011 1.00 62.30 H new ATOM 1236 N GLU A 78 3.259 13.223 -2.484 1.00 70.50 N ATOM 1237 CA GLU A 78 2.795 14.593 -2.213 1.00 21.01 C ATOM 1238 C GLU A 78 1.269 14.598 -2.103 1.00 50.51 C ATOM 1239 O GLU A 78 0.570 14.418 -3.106 1.00 24.35 O ATOM 1240 CB GLU A 78 3.260 15.596 -3.302 1.00 61.13 C ATOM 1241 CG GLU A 78 4.766 15.860 -3.299 1.00 12.30 C ATOM 1242 CD GLU A 78 5.165 17.028 -4.205 1.00 14.22 C ATOM 1243 OE1 GLU A 78 5.114 16.881 -5.443 1.00 65.02 O ATOM 1244 OE2 GLU A 78 5.507 18.107 -3.683 1.00 4.53 O ATOM 0 H GLU A 78 3.208 12.953 -3.466 1.00 70.50 H new ATOM 0 HA GLU A 78 3.237 14.918 -1.271 1.00 21.01 H new ATOM 0 HB2 GLU A 78 2.970 15.214 -4.281 1.00 61.13 H new ATOM 0 HB3 GLU A 78 2.735 16.541 -3.160 1.00 61.13 H new ATOM 0 HG2 GLU A 78 5.092 16.069 -2.280 1.00 12.30 H new ATOM 0 HG3 GLU A 78 5.289 14.960 -3.623 1.00 12.30 H new ATOM 1251 N GLU A 79 0.765 14.785 -0.874 1.00 55.33 N ATOM 1252 CA GLU A 79 -0.668 14.921 -0.618 1.00 73.52 C ATOM 1253 C GLU A 79 -1.059 16.393 -0.792 1.00 73.51 C ATOM 1254 O GLU A 79 -0.678 17.247 0.013 1.00 71.20 O ATOM 1255 CB GLU A 79 -1.025 14.427 0.811 1.00 13.51 C ATOM 1256 CG GLU A 79 -0.580 12.984 1.111 1.00 64.54 C ATOM 1257 CD GLU A 79 -1.198 12.454 2.405 1.00 60.51 C ATOM 1258 OE1 GLU A 79 -2.254 11.788 2.340 1.00 53.11 O ATOM 1259 OE2 GLU A 79 -0.647 12.716 3.497 1.00 74.40 O ATOM 0 H GLU A 79 1.342 14.845 -0.035 1.00 55.33 H new ATOM 0 HA GLU A 79 -1.223 14.305 -1.326 1.00 73.52 H new ATOM 0 HB2 GLU A 79 -0.566 15.095 1.539 1.00 13.51 H new ATOM 0 HB3 GLU A 79 -2.104 14.498 0.949 1.00 13.51 H new ATOM 0 HG2 GLU A 79 -0.864 12.337 0.281 1.00 64.54 H new ATOM 0 HG3 GLU A 79 0.507 12.947 1.186 1.00 64.54 H new ATOM 1266 N THR A 80 -1.770 16.681 -1.888 1.00 22.21 N ATOM 1267 CA THR A 80 -2.314 18.008 -2.153 1.00 10.13 C ATOM 1268 C THR A 80 -3.711 18.053 -1.520 1.00 5.44 C ATOM 1269 O THR A 80 -4.667 17.455 -2.032 1.00 35.21 O ATOM 1270 CB THR A 80 -2.371 18.274 -3.696 1.00 2.33 C ATOM 1271 OG1 THR A 80 -1.114 17.887 -4.291 1.00 24.24 O ATOM 1272 CG2 THR A 80 -2.651 19.763 -4.012 1.00 61.43 C ATOM 0 H THR A 80 -1.982 15.997 -2.614 1.00 22.21 H new ATOM 0 HA THR A 80 -1.684 18.788 -1.724 1.00 10.13 H new ATOM 0 HB THR A 80 -3.188 17.684 -4.111 1.00 2.33 H new ATOM 0 HG1 THR A 80 -1.145 18.050 -5.257 1.00 24.24 H new ATOM 0 HG21 THR A 80 -2.683 19.906 -5.092 1.00 61.43 H new ATOM 0 HG22 THR A 80 -3.608 20.053 -3.579 1.00 61.43 H new ATOM 0 HG23 THR A 80 -1.859 20.380 -3.587 1.00 61.43 H new ATOM 1280 N THR A 81 -3.786 18.719 -0.363 1.00 11.34 N ATOM 1281 CA THR A 81 -4.975 18.753 0.496 1.00 55.31 C ATOM 1282 C THR A 81 -5.130 20.171 1.072 1.00 4.41 C ATOM 1283 O THR A 81 -4.197 20.720 1.664 1.00 2.51 O ATOM 1284 CB THR A 81 -4.866 17.678 1.644 1.00 13.14 C ATOM 1285 OG1 THR A 81 -5.959 17.816 2.572 1.00 24.15 O ATOM 1286 CG2 THR A 81 -3.517 17.739 2.398 1.00 50.14 C ATOM 0 H THR A 81 -3.006 19.260 0.010 1.00 11.34 H new ATOM 0 HA THR A 81 -5.860 18.507 -0.091 1.00 55.31 H new ATOM 0 HB THR A 81 -4.919 16.702 1.162 1.00 13.14 H new ATOM 0 HG1 THR A 81 -5.877 17.140 3.277 1.00 24.15 H new ATOM 0 HG21 THR A 81 -3.500 16.976 3.176 1.00 50.14 H new ATOM 0 HG22 THR A 81 -2.701 17.561 1.698 1.00 50.14 H new ATOM 0 HG23 THR A 81 -3.398 18.723 2.852 1.00 50.14 H new ATOM 1294 N GLY A 82 -6.310 20.770 0.836 1.00 13.50 N ATOM 1295 CA GLY A 82 -6.608 22.138 1.267 1.00 71.13 C ATOM 1296 C GLY A 82 -5.814 23.192 0.497 1.00 41.23 C ATOM 1297 O GLY A 82 -5.651 24.325 0.970 1.00 32.22 O ATOM 0 H GLY A 82 -7.079 20.317 0.342 1.00 13.50 H new ATOM 0 HA2 GLY A 82 -7.674 22.329 1.140 1.00 71.13 H new ATOM 0 HA3 GLY A 82 -6.391 22.233 2.331 1.00 71.13 H new ATOM 1301 N GLY A 83 -5.315 22.801 -0.698 1.00 64.31 N ATOM 1302 CA GLY A 83 -4.461 23.653 -1.529 1.00 2.33 C ATOM 1303 C GLY A 83 -2.969 23.479 -1.245 1.00 43.00 C ATOM 1304 O GLY A 83 -2.141 23.838 -2.084 1.00 1.31 O ATOM 0 H GLY A 83 -5.498 21.884 -1.105 1.00 64.31 H new ATOM 0 HA2 GLY A 83 -4.652 23.432 -2.579 1.00 2.33 H new ATOM 0 HA3 GLY A 83 -4.735 24.696 -1.368 1.00 2.33 H new ATOM 1308 N THR A 84 -2.624 22.932 -0.060 1.00 71.33 N ATOM 1309 CA THR A 84 -1.226 22.711 0.349 1.00 62.03 C ATOM 1310 C THR A 84 -0.734 21.333 -0.124 1.00 32.33 C ATOM 1311 O THR A 84 -1.312 20.300 0.238 1.00 25.03 O ATOM 1312 CB THR A 84 -1.047 22.833 1.911 1.00 43.53 C ATOM 1313 OG1 THR A 84 -1.997 22.008 2.589 1.00 74.23 O ATOM 1314 CG2 THR A 84 -1.205 24.276 2.405 1.00 0.24 C ATOM 0 H THR A 84 -3.307 22.633 0.636 1.00 71.33 H new ATOM 0 HA THR A 84 -0.626 23.489 -0.123 1.00 62.03 H new ATOM 0 HB THR A 84 -0.032 22.503 2.134 1.00 43.53 H new ATOM 0 HG1 THR A 84 -2.580 21.572 1.932 1.00 74.23 H new ATOM 0 HG21 THR A 84 -1.073 24.307 3.487 1.00 0.24 H new ATOM 0 HG22 THR A 84 -0.455 24.908 1.930 1.00 0.24 H new ATOM 0 HG23 THR A 84 -2.200 24.641 2.151 1.00 0.24 H new ATOM 1322 N THR A 85 0.323 21.341 -0.946 1.00 75.11 N ATOM 1323 CA THR A 85 0.989 20.128 -1.425 1.00 15.24 C ATOM 1324 C THR A 85 2.123 19.775 -0.440 1.00 70.30 C ATOM 1325 O THR A 85 3.110 20.511 -0.339 1.00 22.44 O ATOM 1326 CB THR A 85 1.550 20.351 -2.873 1.00 30.45 C ATOM 1327 OG1 THR A 85 0.506 20.875 -3.718 1.00 74.32 O ATOM 1328 CG2 THR A 85 2.077 19.057 -3.499 1.00 64.32 C ATOM 0 H THR A 85 0.743 22.201 -1.300 1.00 75.11 H new ATOM 0 HA THR A 85 0.279 19.302 -1.472 1.00 15.24 H new ATOM 0 HB THR A 85 2.380 21.053 -2.792 1.00 30.45 H new ATOM 0 HG1 THR A 85 0.857 21.016 -4.622 1.00 74.32 H new ATOM 0 HG21 THR A 85 2.454 19.265 -4.500 1.00 64.32 H new ATOM 0 HG22 THR A 85 2.883 18.657 -2.884 1.00 64.32 H new ATOM 0 HG23 THR A 85 1.270 18.327 -3.559 1.00 64.32 H new ATOM 1336 N THR A 86 1.956 18.682 0.313 1.00 73.40 N ATOM 1337 CA THR A 86 2.876 18.302 1.403 1.00 52.35 C ATOM 1338 C THR A 86 3.505 16.923 1.123 1.00 24.54 C ATOM 1339 O THR A 86 2.776 15.962 0.850 1.00 24.43 O ATOM 1340 CB THR A 86 2.094 18.273 2.760 1.00 14.13 C ATOM 1341 OG1 THR A 86 1.352 19.500 2.911 1.00 32.41 O ATOM 1342 CG2 THR A 86 3.028 18.092 3.977 1.00 72.21 C ATOM 0 H THR A 86 1.180 18.032 0.188 1.00 73.40 H new ATOM 0 HA THR A 86 3.678 19.038 1.463 1.00 52.35 H new ATOM 0 HB THR A 86 1.422 17.415 2.730 1.00 14.13 H new ATOM 0 HG1 THR A 86 0.861 19.483 3.759 1.00 32.41 H new ATOM 0 HG21 THR A 86 2.435 18.079 4.892 1.00 72.21 H new ATOM 0 HG22 THR A 86 3.571 17.151 3.882 1.00 72.21 H new ATOM 0 HG23 THR A 86 3.738 18.918 4.017 1.00 72.21 H new ATOM 1350 N ASN A 87 4.849 16.831 1.202 1.00 4.33 N ATOM 1351 CA ASN A 87 5.575 15.558 1.019 1.00 33.32 C ATOM 1352 C ASN A 87 5.447 14.715 2.302 1.00 4.40 C ATOM 1353 O ASN A 87 6.112 14.988 3.312 1.00 10.43 O ATOM 1354 CB ASN A 87 7.081 15.802 0.706 1.00 12.41 C ATOM 1355 CG ASN A 87 7.328 16.605 -0.565 1.00 21.13 C ATOM 1356 OD1 ASN A 87 7.369 17.835 -0.536 1.00 32.31 O ATOM 1357 ND2 ASN A 87 7.517 15.925 -1.689 1.00 61.34 N ATOM 0 H ASN A 87 5.456 17.629 1.392 1.00 4.33 H new ATOM 0 HA ASN A 87 5.136 15.030 0.173 1.00 33.32 H new ATOM 0 HB2 ASN A 87 7.536 16.324 1.548 1.00 12.41 H new ATOM 0 HB3 ASN A 87 7.584 14.839 0.618 1.00 12.41 H new ATOM 0 HD21 ASN A 87 7.702 16.422 -2.560 1.00 61.34 H new ATOM 0 HD22 ASN A 87 7.477 14.906 -1.681 1.00 61.34 H new ATOM 1364 N THR A 88 4.559 13.728 2.262 1.00 62.21 N ATOM 1365 CA THR A 88 4.342 12.766 3.342 1.00 13.43 C ATOM 1366 C THR A 88 4.897 11.407 2.896 1.00 33.40 C ATOM 1367 O THR A 88 4.393 10.817 1.929 1.00 55.20 O ATOM 1368 CB THR A 88 2.820 12.644 3.675 1.00 64.50 C ATOM 1369 OG1 THR A 88 2.245 13.956 3.780 1.00 31.25 O ATOM 1370 CG2 THR A 88 2.570 11.873 4.991 1.00 41.04 C ATOM 0 H THR A 88 3.953 13.569 1.457 1.00 62.21 H new ATOM 0 HA THR A 88 4.854 13.104 4.243 1.00 13.43 H new ATOM 0 HB THR A 88 2.352 12.084 2.866 1.00 64.50 H new ATOM 0 HG1 THR A 88 1.270 13.893 3.703 1.00 31.25 H new ATOM 0 HG21 THR A 88 1.498 11.814 5.180 1.00 41.04 H new ATOM 0 HG22 THR A 88 2.979 10.866 4.906 1.00 41.04 H new ATOM 0 HG23 THR A 88 3.056 12.394 5.816 1.00 41.04 H new ATOM 1378 N THR A 89 5.947 10.926 3.573 1.00 2.12 N ATOM 1379 CA THR A 89 6.570 9.640 3.251 1.00 72.32 C ATOM 1380 C THR A 89 5.851 8.541 4.034 1.00 42.24 C ATOM 1381 O THR A 89 5.781 8.588 5.264 1.00 61.23 O ATOM 1382 CB THR A 89 8.101 9.618 3.595 1.00 33.31 C ATOM 1383 OG1 THR A 89 8.713 10.812 3.090 1.00 51.10 O ATOM 1384 CG2 THR A 89 8.817 8.385 2.991 1.00 42.43 C ATOM 0 H THR A 89 6.385 11.415 4.354 1.00 2.12 H new ATOM 0 HA THR A 89 6.480 9.476 2.177 1.00 72.32 H new ATOM 0 HB THR A 89 8.198 9.561 4.679 1.00 33.31 H new ATOM 0 HG1 THR A 89 8.192 11.151 2.333 1.00 51.10 H new ATOM 0 HG21 THR A 89 9.874 8.413 3.255 1.00 42.43 H new ATOM 0 HG22 THR A 89 8.368 7.474 3.386 1.00 42.43 H new ATOM 0 HG23 THR A 89 8.714 8.400 1.906 1.00 42.43 H new ATOM 1392 N TYR A 90 5.311 7.565 3.319 1.00 23.30 N ATOM 1393 CA TYR A 90 4.656 6.405 3.913 1.00 45.31 C ATOM 1394 C TYR A 90 5.625 5.228 3.828 1.00 50.53 C ATOM 1395 O TYR A 90 6.225 4.981 2.779 1.00 72.34 O ATOM 1396 CB TYR A 90 3.334 6.091 3.166 1.00 70.30 C ATOM 1397 CG TYR A 90 2.206 7.097 3.419 1.00 64.31 C ATOM 1398 CD1 TYR A 90 2.142 8.319 2.742 1.00 41.43 C ATOM 1399 CD2 TYR A 90 1.194 6.809 4.329 1.00 64.33 C ATOM 1400 CE1 TYR A 90 1.119 9.212 2.977 1.00 34.14 C ATOM 1401 CE2 TYR A 90 0.173 7.697 4.565 1.00 2.23 C ATOM 1402 CZ TYR A 90 0.135 8.893 3.890 1.00 13.52 C ATOM 1403 OH TYR A 90 -0.886 9.773 4.142 1.00 31.42 O ATOM 0 H TYR A 90 5.314 7.554 2.299 1.00 23.30 H new ATOM 0 HA TYR A 90 4.401 6.601 4.954 1.00 45.31 H new ATOM 0 HB2 TYR A 90 3.537 6.053 2.096 1.00 70.30 H new ATOM 0 HB3 TYR A 90 2.992 5.099 3.461 1.00 70.30 H new ATOM 0 HD1 TYR A 90 2.908 8.567 2.022 1.00 41.43 H new ATOM 0 HD2 TYR A 90 1.211 5.869 4.860 1.00 64.33 H new ATOM 0 HE1 TYR A 90 1.088 10.154 2.450 1.00 34.14 H new ATOM 0 HE2 TYR A 90 -0.599 7.455 5.280 1.00 2.23 H new ATOM 0 HH TYR A 90 -1.491 9.389 4.810 1.00 31.42 H new ATOM 1413 N GLU A 91 5.829 4.551 4.950 1.00 33.55 N ATOM 1414 CA GLU A 91 6.680 3.374 5.023 1.00 4.23 C ATOM 1415 C GLU A 91 5.761 2.162 5.184 1.00 41.44 C ATOM 1416 O GLU A 91 5.213 1.936 6.263 1.00 13.33 O ATOM 1417 CB GLU A 91 7.649 3.511 6.228 1.00 1.13 C ATOM 1418 CG GLU A 91 8.831 2.520 6.199 1.00 4.42 C ATOM 1419 CD GLU A 91 9.432 2.272 7.587 1.00 71.32 C ATOM 1420 OE1 GLU A 91 8.789 1.562 8.387 1.00 52.23 O ATOM 1421 OE2 GLU A 91 10.532 2.781 7.897 1.00 34.11 O ATOM 0 H GLU A 91 5.404 4.806 5.842 1.00 33.55 H new ATOM 0 HA GLU A 91 7.287 3.260 4.125 1.00 4.23 H new ATOM 0 HB2 GLU A 91 8.041 4.528 6.252 1.00 1.13 H new ATOM 0 HB3 GLU A 91 7.088 3.364 7.151 1.00 1.13 H new ATOM 0 HG2 GLU A 91 8.494 1.572 5.779 1.00 4.42 H new ATOM 0 HG3 GLU A 91 9.606 2.905 5.536 1.00 4.42 H new ATOM 1428 N LEU A 92 5.543 1.422 4.090 1.00 12.13 N ATOM 1429 CA LEU A 92 4.697 0.226 4.101 1.00 63.42 C ATOM 1430 C LEU A 92 5.600 -0.981 4.332 1.00 43.10 C ATOM 1431 O LEU A 92 6.328 -1.422 3.448 1.00 54.21 O ATOM 1432 CB LEU A 92 3.855 0.099 2.797 1.00 20.22 C ATOM 1433 CG LEU A 92 2.661 1.107 2.663 1.00 5.30 C ATOM 1434 CD1 LEU A 92 3.142 2.552 2.496 1.00 3.45 C ATOM 1435 CD2 LEU A 92 1.711 0.714 1.520 1.00 73.20 C ATOM 0 H LEU A 92 5.946 1.635 3.178 1.00 12.13 H new ATOM 0 HA LEU A 92 3.966 0.292 4.907 1.00 63.42 H new ATOM 0 HB2 LEU A 92 4.518 0.233 1.943 1.00 20.22 H new ATOM 0 HB3 LEU A 92 3.460 -0.915 2.738 1.00 20.22 H new ATOM 0 HG LEU A 92 2.104 1.052 3.598 1.00 5.30 H new ATOM 0 HD11 LEU A 92 2.281 3.214 2.407 1.00 3.45 H new ATOM 0 HD12 LEU A 92 3.734 2.841 3.364 1.00 3.45 H new ATOM 0 HD13 LEU A 92 3.754 2.630 1.597 1.00 3.45 H new ATOM 0 HD21 LEU A 92 0.897 1.436 1.459 1.00 73.20 H new ATOM 0 HD22 LEU A 92 2.259 0.705 0.578 1.00 73.20 H new ATOM 0 HD23 LEU A 92 1.302 -0.278 1.712 1.00 73.20 H new ATOM 1447 N ARG A 93 5.534 -1.478 5.554 1.00 24.40 N ATOM 1448 CA ARG A 93 6.421 -2.500 6.090 1.00 72.41 C ATOM 1449 C ARG A 93 5.677 -3.847 6.060 1.00 70.33 C ATOM 1450 O ARG A 93 4.812 -4.092 6.884 1.00 55.24 O ATOM 1451 CB ARG A 93 6.813 -2.040 7.528 1.00 0.03 C ATOM 1452 CG ARG A 93 7.758 -2.968 8.297 1.00 14.33 C ATOM 1453 CD ARG A 93 8.168 -2.408 9.670 1.00 41.32 C ATOM 1454 NE ARG A 93 8.999 -1.195 9.552 1.00 63.11 N ATOM 1455 CZ ARG A 93 10.249 -1.052 10.033 1.00 42.43 C ATOM 1456 NH1 ARG A 93 10.855 -2.044 10.685 1.00 4.13 N ATOM 1457 NH2 ARG A 93 10.893 0.092 9.848 1.00 75.21 N ATOM 0 H ARG A 93 4.834 -1.170 6.229 1.00 24.40 H new ATOM 0 HA ARG A 93 7.334 -2.632 5.510 1.00 72.41 H new ATOM 0 HB2 ARG A 93 7.278 -1.057 7.459 1.00 0.03 H new ATOM 0 HB3 ARG A 93 5.900 -1.920 8.111 1.00 0.03 H new ATOM 0 HG2 ARG A 93 7.275 -3.935 8.435 1.00 14.33 H new ATOM 0 HG3 ARG A 93 8.653 -3.141 7.700 1.00 14.33 H new ATOM 0 HD2 ARG A 93 7.273 -2.178 10.249 1.00 41.32 H new ATOM 0 HD3 ARG A 93 8.718 -3.170 10.222 1.00 41.32 H new ATOM 0 HE ARG A 93 8.592 -0.397 9.065 1.00 63.11 H new ATOM 0 HH11 ARG A 93 10.372 -2.931 10.827 1.00 4.13 H new ATOM 0 HH12 ARG A 93 11.802 -1.916 11.042 1.00 4.13 H new ATOM 0 HH21 ARG A 93 10.442 0.856 9.345 1.00 75.21 H new ATOM 0 HH22 ARG A 93 11.840 0.208 10.209 1.00 75.21 H new ATOM 1471 N PHE A 94 5.982 -4.680 5.054 1.00 13.00 N ATOM 1472 CA PHE A 94 5.223 -5.914 4.749 1.00 34.43 C ATOM 1473 C PHE A 94 5.792 -7.128 5.502 1.00 35.25 C ATOM 1474 O PHE A 94 6.888 -7.595 5.190 1.00 41.22 O ATOM 1475 CB PHE A 94 5.246 -6.170 3.217 1.00 2.13 C ATOM 1476 CG PHE A 94 4.384 -5.201 2.411 1.00 61.01 C ATOM 1477 CD1 PHE A 94 4.873 -3.959 2.011 1.00 11.51 C ATOM 1478 CD2 PHE A 94 3.071 -5.533 2.062 1.00 4.34 C ATOM 1479 CE1 PHE A 94 4.082 -3.086 1.290 1.00 30.21 C ATOM 1480 CE2 PHE A 94 2.285 -4.658 1.340 1.00 3.34 C ATOM 1481 CZ PHE A 94 2.789 -3.435 0.957 1.00 22.11 C ATOM 0 H PHE A 94 6.766 -4.520 4.422 1.00 13.00 H new ATOM 0 HA PHE A 94 4.194 -5.776 5.082 1.00 34.43 H new ATOM 0 HB2 PHE A 94 6.275 -6.104 2.864 1.00 2.13 H new ATOM 0 HB3 PHE A 94 4.907 -7.188 3.024 1.00 2.13 H new ATOM 0 HD1 PHE A 94 5.883 -3.676 2.268 1.00 11.51 H new ATOM 0 HD2 PHE A 94 2.666 -6.488 2.362 1.00 4.34 H new ATOM 0 HE1 PHE A 94 4.476 -2.128 0.986 1.00 30.21 H new ATOM 0 HE2 PHE A 94 1.275 -4.932 1.075 1.00 3.34 H new ATOM 0 HZ PHE A 94 2.172 -2.749 0.396 1.00 22.11 H new ATOM 1491 N GLU A 95 5.034 -7.639 6.482 1.00 74.42 N ATOM 1492 CA GLU A 95 5.412 -8.830 7.256 1.00 54.12 C ATOM 1493 C GLU A 95 5.094 -10.080 6.426 1.00 32.21 C ATOM 1494 O GLU A 95 3.932 -10.495 6.337 1.00 33.02 O ATOM 1495 CB GLU A 95 4.664 -8.862 8.618 1.00 43.34 C ATOM 1496 CG GLU A 95 5.096 -7.765 9.618 1.00 20.52 C ATOM 1497 CD GLU A 95 4.762 -6.315 9.201 1.00 3.14 C ATOM 1498 OE1 GLU A 95 3.667 -6.064 8.646 1.00 12.33 O ATOM 1499 OE2 GLU A 95 5.568 -5.407 9.480 1.00 42.20 O ATOM 0 H GLU A 95 4.139 -7.237 6.761 1.00 74.42 H new ATOM 0 HA GLU A 95 6.480 -8.801 7.472 1.00 54.12 H new ATOM 0 HB2 GLU A 95 3.594 -8.764 8.432 1.00 43.34 H new ATOM 0 HB3 GLU A 95 4.819 -9.837 9.080 1.00 43.34 H new ATOM 0 HG2 GLU A 95 4.622 -7.967 10.579 1.00 20.52 H new ATOM 0 HG3 GLU A 95 6.172 -7.841 9.772 1.00 20.52 H new ATOM 1506 N VAL A 96 6.130 -10.653 5.779 1.00 24.24 N ATOM 1507 CA VAL A 96 5.972 -11.796 4.853 1.00 32.11 C ATOM 1508 C VAL A 96 6.287 -13.120 5.583 1.00 51.13 C ATOM 1509 O VAL A 96 7.198 -13.171 6.415 1.00 62.45 O ATOM 1510 CB VAL A 96 6.881 -11.621 3.561 1.00 13.32 C ATOM 1511 CG1 VAL A 96 6.720 -10.198 2.972 1.00 42.13 C ATOM 1512 CG2 VAL A 96 8.380 -11.943 3.812 1.00 23.44 C ATOM 0 H VAL A 96 7.095 -10.339 5.882 1.00 24.24 H new ATOM 0 HA VAL A 96 4.935 -11.826 4.517 1.00 32.11 H new ATOM 0 HB VAL A 96 6.528 -12.355 2.836 1.00 13.32 H new ATOM 0 HG11 VAL A 96 7.350 -10.097 2.088 1.00 42.13 H new ATOM 0 HG12 VAL A 96 5.678 -10.034 2.696 1.00 42.13 H new ATOM 0 HG13 VAL A 96 7.018 -9.460 3.717 1.00 42.13 H new ATOM 0 HG21 VAL A 96 8.942 -11.803 2.889 1.00 23.44 H new ATOM 0 HG22 VAL A 96 8.772 -11.276 4.580 1.00 23.44 H new ATOM 0 HG23 VAL A 96 8.480 -12.976 4.144 1.00 23.44 H new ATOM 1522 N ASP A 97 5.515 -14.181 5.289 1.00 23.32 N ATOM 1523 CA ASP A 97 5.713 -15.518 5.889 1.00 71.42 C ATOM 1524 C ASP A 97 5.431 -16.608 4.844 1.00 21.24 C ATOM 1525 O ASP A 97 4.300 -16.728 4.354 1.00 43.12 O ATOM 1526 CB ASP A 97 4.810 -15.699 7.140 1.00 63.12 C ATOM 1527 CG ASP A 97 4.949 -17.082 7.812 1.00 54.31 C ATOM 1528 OD1 ASP A 97 5.913 -17.290 8.582 1.00 62.21 O ATOM 1529 OD2 ASP A 97 4.088 -17.965 7.589 1.00 51.43 O ATOM 0 H ASP A 97 4.737 -14.139 4.631 1.00 23.32 H new ATOM 0 HA ASP A 97 6.750 -15.608 6.213 1.00 71.42 H new ATOM 0 HB2 ASP A 97 5.054 -14.925 7.868 1.00 63.12 H new ATOM 0 HB3 ASP A 97 3.770 -15.548 6.851 1.00 63.12 H new ATOM 1534 N GLY A 98 6.482 -17.383 4.511 1.00 72.24 N ATOM 1535 CA GLY A 98 6.396 -18.477 3.553 1.00 72.55 C ATOM 1536 C GLY A 98 6.196 -17.991 2.125 1.00 44.15 C ATOM 1537 O GLY A 98 7.067 -17.318 1.563 1.00 31.24 O ATOM 0 H GLY A 98 7.414 -17.258 4.907 1.00 72.24 H new ATOM 0 HA2 GLY A 98 7.307 -19.073 3.606 1.00 72.55 H new ATOM 0 HA3 GLY A 98 5.570 -19.132 3.829 1.00 72.55 H new ATOM 1541 N ASP A 99 5.025 -18.310 1.559 1.00 11.14 N ATOM 1542 CA ASP A 99 4.691 -18.036 0.147 1.00 22.42 C ATOM 1543 C ASP A 99 3.763 -16.824 0.000 1.00 23.03 C ATOM 1544 O ASP A 99 3.428 -16.439 -1.118 1.00 41.23 O ATOM 1545 CB ASP A 99 4.008 -19.276 -0.481 1.00 13.43 C ATOM 1546 CG ASP A 99 4.897 -20.523 -0.454 1.00 71.03 C ATOM 1547 OD1 ASP A 99 5.696 -20.719 -1.392 1.00 32.10 O ATOM 1548 OD2 ASP A 99 4.821 -21.304 0.520 1.00 11.44 O ATOM 0 H ASP A 99 4.272 -18.771 2.070 1.00 11.14 H new ATOM 0 HA ASP A 99 5.624 -17.813 -0.371 1.00 22.42 H new ATOM 0 HB2 ASP A 99 3.082 -19.485 0.054 1.00 13.43 H new ATOM 0 HB3 ASP A 99 3.736 -19.052 -1.513 1.00 13.43 H new ATOM 1553 N THR A 100 3.336 -16.231 1.120 1.00 30.24 N ATOM 1554 CA THR A 100 2.340 -15.144 1.112 1.00 12.31 C ATOM 1555 C THR A 100 2.737 -14.030 2.087 1.00 71.41 C ATOM 1556 O THR A 100 3.387 -14.278 3.114 1.00 71.33 O ATOM 1557 CB THR A 100 0.909 -15.694 1.449 1.00 40.40 C ATOM 1558 OG1 THR A 100 -0.059 -14.629 1.402 1.00 62.44 O ATOM 1559 CG2 THR A 100 0.855 -16.392 2.827 1.00 11.13 C ATOM 0 H THR A 100 3.665 -16.485 2.052 1.00 30.24 H new ATOM 0 HA THR A 100 2.313 -14.721 0.108 1.00 12.31 H new ATOM 0 HB THR A 100 0.669 -16.442 0.694 1.00 40.40 H new ATOM 0 HG1 THR A 100 -0.948 -14.985 1.612 1.00 62.44 H new ATOM 0 HG21 THR A 100 -0.156 -16.754 3.012 1.00 11.13 H new ATOM 0 HG22 THR A 100 1.549 -17.232 2.837 1.00 11.13 H new ATOM 0 HG23 THR A 100 1.134 -15.682 3.606 1.00 11.13 H new ATOM 1567 N ILE A 101 2.353 -12.793 1.739 1.00 42.35 N ATOM 1568 CA ILE A 101 2.568 -11.624 2.586 1.00 75.14 C ATOM 1569 C ILE A 101 1.354 -11.471 3.513 1.00 31.31 C ATOM 1570 O ILE A 101 0.217 -11.333 3.043 1.00 63.44 O ATOM 1571 CB ILE A 101 2.784 -10.331 1.732 1.00 33.55 C ATOM 1572 CG1 ILE A 101 3.885 -10.563 0.645 1.00 62.24 C ATOM 1573 CG2 ILE A 101 3.134 -9.132 2.648 1.00 13.44 C ATOM 1574 CD1 ILE A 101 4.173 -9.366 -0.240 1.00 12.42 C ATOM 0 H ILE A 101 1.884 -12.581 0.859 1.00 42.35 H new ATOM 0 HA ILE A 101 3.473 -11.766 3.177 1.00 75.14 H new ATOM 0 HB ILE A 101 1.855 -10.096 1.213 1.00 33.55 H new ATOM 0 HG12 ILE A 101 4.809 -10.859 1.142 1.00 62.24 H new ATOM 0 HG13 ILE A 101 3.581 -11.398 0.014 1.00 62.24 H new ATOM 0 HG21 ILE A 101 3.281 -8.240 2.039 1.00 13.44 H new ATOM 0 HG22 ILE A 101 2.319 -8.961 3.351 1.00 13.44 H new ATOM 0 HG23 ILE A 101 4.049 -9.350 3.199 1.00 13.44 H new ATOM 0 HD11 ILE A 101 4.949 -9.625 -0.961 1.00 12.42 H new ATOM 0 HD12 ILE A 101 3.265 -9.079 -0.771 1.00 12.42 H new ATOM 0 HD13 ILE A 101 4.512 -8.532 0.375 1.00 12.42 H new ATOM 1586 N ARG A 102 1.615 -11.500 4.821 1.00 72.41 N ATOM 1587 CA ARG A 102 0.586 -11.630 5.861 1.00 34.31 C ATOM 1588 C ARG A 102 0.022 -10.270 6.294 1.00 44.52 C ATOM 1589 O ARG A 102 -1.194 -10.134 6.478 1.00 25.34 O ATOM 1590 CB ARG A 102 1.192 -12.387 7.068 1.00 13.00 C ATOM 1591 CG ARG A 102 1.658 -13.820 6.739 1.00 55.22 C ATOM 1592 CD ARG A 102 0.504 -14.728 6.293 1.00 31.22 C ATOM 1593 NE ARG A 102 -0.475 -14.931 7.377 1.00 5.40 N ATOM 1594 CZ ARG A 102 -1.697 -15.464 7.239 1.00 24.40 C ATOM 1595 NH1 ARG A 102 -2.138 -15.873 6.055 1.00 63.43 N ATOM 1596 NH2 ARG A 102 -2.461 -15.643 8.309 1.00 25.21 N ATOM 0 H ARG A 102 2.561 -11.433 5.196 1.00 72.41 H new ATOM 0 HA ARG A 102 -0.253 -12.193 5.451 1.00 34.31 H new ATOM 0 HB2 ARG A 102 2.040 -11.819 7.452 1.00 13.00 H new ATOM 0 HB3 ARG A 102 0.451 -12.431 7.866 1.00 13.00 H new ATOM 0 HG2 ARG A 102 2.410 -13.782 5.951 1.00 55.22 H new ATOM 0 HG3 ARG A 102 2.137 -14.253 7.617 1.00 55.22 H new ATOM 0 HD2 ARG A 102 0.006 -14.287 5.430 1.00 31.22 H new ATOM 0 HD3 ARG A 102 0.901 -15.692 5.974 1.00 31.22 H new ATOM 0 HE ARG A 102 -0.198 -14.640 8.314 1.00 5.40 H new ATOM 0 HH11 ARG A 102 -1.544 -15.784 5.231 1.00 63.43 H new ATOM 0 HH12 ARG A 102 -3.071 -16.276 5.970 1.00 63.43 H new ATOM 0 HH21 ARG A 102 -2.118 -15.375 9.231 1.00 25.21 H new ATOM 0 HH22 ARG A 102 -3.392 -16.048 8.209 1.00 25.21 H new ATOM 1610 N ARG A 103 0.900 -9.267 6.451 1.00 64.12 N ATOM 1611 CA ARG A 103 0.505 -7.948 6.995 1.00 74.15 C ATOM 1612 C ARG A 103 1.256 -6.816 6.276 1.00 21.30 C ATOM 1613 O ARG A 103 2.246 -7.057 5.579 1.00 70.35 O ATOM 1614 CB ARG A 103 0.789 -7.901 8.535 1.00 64.42 C ATOM 1615 CG ARG A 103 0.028 -6.795 9.318 1.00 14.43 C ATOM 1616 CD ARG A 103 0.427 -6.706 10.807 1.00 13.14 C ATOM 1617 NE ARG A 103 1.787 -6.193 10.985 1.00 31.04 N ATOM 1618 CZ ARG A 103 2.418 -6.027 12.161 1.00 60.15 C ATOM 1619 NH1 ARG A 103 1.820 -6.318 13.319 1.00 32.34 N ATOM 1620 NH2 ARG A 103 3.654 -5.554 12.171 1.00 3.41 N ATOM 0 H ARG A 103 1.889 -9.339 6.211 1.00 64.12 H new ATOM 0 HA ARG A 103 -0.563 -7.806 6.827 1.00 74.15 H new ATOM 0 HB2 ARG A 103 0.532 -8.869 8.965 1.00 64.42 H new ATOM 0 HB3 ARG A 103 1.859 -7.759 8.686 1.00 64.42 H new ATOM 0 HG2 ARG A 103 0.214 -5.832 8.843 1.00 14.43 H new ATOM 0 HG3 ARG A 103 -1.043 -6.984 9.248 1.00 14.43 H new ATOM 0 HD2 ARG A 103 -0.275 -6.058 11.332 1.00 13.14 H new ATOM 0 HD3 ARG A 103 0.351 -7.694 11.262 1.00 13.14 H new ATOM 0 HE ARG A 103 2.302 -5.939 10.142 1.00 31.04 H new ATOM 0 HH11 ARG A 103 0.864 -6.675 13.324 1.00 32.34 H new ATOM 0 HH12 ARG A 103 2.319 -6.184 14.198 1.00 32.34 H new ATOM 0 HH21 ARG A 103 4.118 -5.320 11.293 1.00 3.41 H new ATOM 0 HH22 ARG A 103 4.143 -5.424 13.057 1.00 3.41 H new ATOM 1634 N VAL A 104 0.744 -5.587 6.442 1.00 44.14 N ATOM 1635 CA VAL A 104 1.427 -4.344 6.062 1.00 35.23 C ATOM 1636 C VAL A 104 1.241 -3.305 7.195 1.00 74.41 C ATOM 1637 O VAL A 104 0.109 -2.941 7.546 1.00 12.12 O ATOM 1638 CB VAL A 104 0.904 -3.781 4.681 1.00 54.03 C ATOM 1639 CG1 VAL A 104 -0.642 -3.691 4.634 1.00 13.13 C ATOM 1640 CG2 VAL A 104 1.570 -2.422 4.337 1.00 64.50 C ATOM 0 H VAL A 104 -0.176 -5.428 6.853 1.00 44.14 H new ATOM 0 HA VAL A 104 2.488 -4.553 5.927 1.00 35.23 H new ATOM 0 HB VAL A 104 1.198 -4.495 3.912 1.00 54.03 H new ATOM 0 HG11 VAL A 104 -0.954 -3.299 3.666 1.00 13.13 H new ATOM 0 HG12 VAL A 104 -1.069 -4.684 4.778 1.00 13.13 H new ATOM 0 HG13 VAL A 104 -0.992 -3.027 5.424 1.00 13.13 H new ATOM 0 HG21 VAL A 104 1.189 -2.062 3.381 1.00 64.50 H new ATOM 0 HG22 VAL A 104 1.339 -1.696 5.117 1.00 64.50 H new ATOM 0 HG23 VAL A 104 2.650 -2.553 4.271 1.00 64.50 H new ATOM 1650 N THR A 105 2.355 -2.889 7.812 1.00 61.41 N ATOM 1651 CA THR A 105 2.378 -1.805 8.797 1.00 3.41 C ATOM 1652 C THR A 105 2.703 -0.487 8.071 1.00 21.32 C ATOM 1653 O THR A 105 3.854 -0.256 7.686 1.00 2.14 O ATOM 1654 CB THR A 105 3.458 -2.101 9.892 1.00 12.11 C ATOM 1655 OG1 THR A 105 3.335 -3.462 10.329 1.00 4.13 O ATOM 1656 CG2 THR A 105 3.328 -1.169 11.111 1.00 62.21 C ATOM 0 H THR A 105 3.272 -3.300 7.638 1.00 61.41 H new ATOM 0 HA THR A 105 1.407 -1.725 9.285 1.00 3.41 H new ATOM 0 HB THR A 105 4.435 -1.926 9.441 1.00 12.11 H new ATOM 0 HG1 THR A 105 2.602 -3.533 10.975 1.00 4.13 H new ATOM 0 HG21 THR A 105 4.099 -1.415 11.841 1.00 62.21 H new ATOM 0 HG22 THR A 105 3.447 -0.134 10.792 1.00 62.21 H new ATOM 0 HG23 THR A 105 2.345 -1.298 11.564 1.00 62.21 H new ATOM 1664 N VAL A 106 1.687 0.366 7.863 1.00 35.15 N ATOM 1665 CA VAL A 106 1.860 1.642 7.144 1.00 10.23 C ATOM 1666 C VAL A 106 2.123 2.788 8.156 1.00 61.51 C ATOM 1667 O VAL A 106 1.225 3.234 8.882 1.00 71.40 O ATOM 1668 CB VAL A 106 0.635 1.945 6.184 1.00 13.13 C ATOM 1669 CG1 VAL A 106 -0.733 1.890 6.911 1.00 14.12 C ATOM 1670 CG2 VAL A 106 0.833 3.290 5.436 1.00 21.01 C ATOM 0 H VAL A 106 0.734 0.196 8.183 1.00 35.15 H new ATOM 0 HA VAL A 106 2.733 1.564 6.496 1.00 10.23 H new ATOM 0 HB VAL A 106 0.613 1.145 5.444 1.00 13.13 H new ATOM 0 HG11 VAL A 106 -1.531 2.106 6.201 1.00 14.12 H new ATOM 0 HG12 VAL A 106 -0.881 0.896 7.332 1.00 14.12 H new ATOM 0 HG13 VAL A 106 -0.750 2.630 7.712 1.00 14.12 H new ATOM 0 HG21 VAL A 106 -0.021 3.473 4.785 1.00 21.01 H new ATOM 0 HG22 VAL A 106 0.917 4.100 6.160 1.00 21.01 H new ATOM 0 HG23 VAL A 106 1.742 3.243 4.837 1.00 21.01 H new ATOM 1680 N THR A 107 3.390 3.222 8.223 1.00 11.13 N ATOM 1681 CA THR A 107 3.845 4.290 9.120 1.00 73.40 C ATOM 1682 C THR A 107 3.852 5.634 8.357 1.00 32.24 C ATOM 1683 O THR A 107 4.664 5.835 7.443 1.00 42.41 O ATOM 1684 CB THR A 107 5.269 3.957 9.678 1.00 73.42 C ATOM 1685 OG1 THR A 107 5.273 2.608 10.188 1.00 43.24 O ATOM 1686 CG2 THR A 107 5.693 4.934 10.800 1.00 54.21 C ATOM 0 H THR A 107 4.137 2.834 7.647 1.00 11.13 H new ATOM 0 HA THR A 107 3.162 4.370 9.966 1.00 73.40 H new ATOM 0 HB THR A 107 5.984 4.060 8.862 1.00 73.42 H new ATOM 0 HG1 THR A 107 6.163 2.393 10.537 1.00 43.24 H new ATOM 0 HG21 THR A 107 6.687 4.667 11.159 1.00 54.21 H new ATOM 0 HG22 THR A 107 5.710 5.951 10.409 1.00 54.21 H new ATOM 0 HG23 THR A 107 4.982 4.873 11.624 1.00 54.21 H new ATOM 1694 N GLN A 108 2.919 6.530 8.724 1.00 13.23 N ATOM 1695 CA GLN A 108 2.758 7.845 8.081 1.00 31.13 C ATOM 1696 C GLN A 108 3.783 8.843 8.666 1.00 5.03 C ATOM 1697 O GLN A 108 3.553 9.440 9.726 1.00 52.31 O ATOM 1698 CB GLN A 108 1.304 8.358 8.283 1.00 54.45 C ATOM 1699 CG GLN A 108 0.981 9.698 7.579 1.00 22.43 C ATOM 1700 CD GLN A 108 -0.444 10.200 7.850 1.00 33.32 C ATOM 1701 OE1 GLN A 108 -1.366 9.412 8.074 1.00 13.13 O ATOM 1702 NE2 GLN A 108 -0.639 11.507 7.819 1.00 61.22 N ATOM 0 H GLN A 108 2.253 6.361 9.478 1.00 13.23 H new ATOM 0 HA GLN A 108 2.942 7.751 7.011 1.00 31.13 H new ATOM 0 HB2 GLN A 108 0.612 7.598 7.920 1.00 54.45 H new ATOM 0 HB3 GLN A 108 1.120 8.472 9.351 1.00 54.45 H new ATOM 0 HG2 GLN A 108 1.694 10.454 7.908 1.00 22.43 H new ATOM 0 HG3 GLN A 108 1.118 9.578 6.504 1.00 22.43 H new ATOM 0 HE21 GLN A 108 0.143 12.135 7.631 1.00 61.22 H new ATOM 0 HE22 GLN A 108 -1.571 11.888 7.983 1.00 61.22 H new ATOM 1711 N ASN A 109 4.933 8.973 7.988 1.00 13.21 N ATOM 1712 CA ASN A 109 6.009 9.907 8.375 1.00 11.33 C ATOM 1713 C ASN A 109 5.814 11.245 7.644 1.00 75.24 C ATOM 1714 O ASN A 109 6.198 11.396 6.477 1.00 74.52 O ATOM 1715 CB ASN A 109 7.411 9.302 8.058 1.00 23.10 C ATOM 1716 CG ASN A 109 7.668 7.984 8.789 1.00 45.00 C ATOM 1717 OD1 ASN A 109 8.139 7.970 9.930 1.00 11.22 O ATOM 1718 ND2 ASN A 109 7.356 6.867 8.146 1.00 12.21 N ATOM 0 H ASN A 109 5.147 8.431 7.151 1.00 13.21 H new ATOM 0 HA ASN A 109 5.959 10.078 9.450 1.00 11.33 H new ATOM 0 HB2 ASN A 109 7.496 9.139 6.984 1.00 23.10 H new ATOM 0 HB3 ASN A 109 8.182 10.021 8.333 1.00 23.10 H new ATOM 0 HD21 ASN A 109 7.504 5.963 8.594 1.00 12.21 H new ATOM 0 HD22 ASN A 109 6.968 6.912 7.204 1.00 12.21 H new ATOM 1725 N GLY A 110 5.170 12.199 8.329 1.00 71.12 N ATOM 1726 CA GLY A 110 4.945 13.549 7.787 1.00 64.24 C ATOM 1727 C GLY A 110 5.948 14.575 8.305 1.00 45.44 C ATOM 1728 O GLY A 110 5.733 15.784 8.163 1.00 51.34 O ATOM 0 H GLY A 110 4.793 12.061 9.266 1.00 71.12 H new ATOM 0 HA2 GLY A 110 5.001 13.512 6.699 1.00 64.24 H new ATOM 0 HA3 GLY A 110 3.937 13.874 8.043 1.00 64.24 H new ATOM 1732 N GLY A 111 7.046 14.081 8.896 1.00 54.21 N ATOM 1733 CA GLY A 111 8.105 14.923 9.456 1.00 21.14 C ATOM 1734 C GLY A 111 9.056 14.115 10.332 1.00 42.05 C ATOM 1735 O GLY A 111 9.298 12.927 10.060 1.00 10.43 O ATOM 0 H GLY A 111 7.222 13.081 8.998 1.00 54.21 H new ATOM 0 HA2 GLY A 111 8.664 15.393 8.647 1.00 21.14 H new ATOM 0 HA3 GLY A 111 7.660 15.726 10.044 1.00 21.14 H new ATOM 1739 N SER A 112 9.600 14.753 11.391 1.00 1.31 N ATOM 1740 CA SER A 112 10.508 14.100 12.354 1.00 62.14 C ATOM 1741 C SER A 112 10.388 14.775 13.732 1.00 42.30 C ATOM 1742 O SER A 112 10.223 15.995 13.815 1.00 33.14 O ATOM 1743 CB SER A 112 11.978 14.157 11.852 1.00 4.04 C ATOM 1744 OG SER A 112 12.140 13.446 10.633 1.00 5.33 O ATOM 0 H SER A 112 9.421 15.735 11.601 1.00 1.31 H new ATOM 0 HA SER A 112 10.220 13.053 12.445 1.00 62.14 H new ATOM 0 HB2 SER A 112 12.275 15.196 11.711 1.00 4.04 H new ATOM 0 HB3 SER A 112 12.639 13.737 12.610 1.00 4.04 H new ATOM 0 HG SER A 112 13.074 13.502 10.343 1.00 5.33 H new ATOM 1750 N LEU A 113 10.455 13.959 14.799 1.00 34.33 N ATOM 1751 CA LEU A 113 10.374 14.424 16.207 1.00 25.13 C ATOM 1752 C LEU A 113 11.774 14.448 16.856 1.00 54.44 C ATOM 1753 O LEU A 113 11.935 14.973 17.968 1.00 44.00 O ATOM 1754 CB LEU A 113 9.426 13.508 17.053 1.00 65.40 C ATOM 1755 CG LEU A 113 7.914 13.418 16.624 1.00 33.23 C ATOM 1756 CD1 LEU A 113 7.721 12.558 15.354 1.00 74.31 C ATOM 1757 CD2 LEU A 113 7.032 12.901 17.792 1.00 4.14 C ATOM 0 H LEU A 113 10.568 12.949 14.714 1.00 34.33 H new ATOM 0 HA LEU A 113 9.966 15.435 16.193 1.00 25.13 H new ATOM 0 HB2 LEU A 113 9.838 12.499 17.041 1.00 65.40 H new ATOM 0 HB3 LEU A 113 9.461 13.854 18.086 1.00 65.40 H new ATOM 0 HG LEU A 113 7.589 14.429 16.377 1.00 33.23 H new ATOM 0 HD11 LEU A 113 6.663 12.524 15.095 1.00 74.31 H new ATOM 0 HD12 LEU A 113 8.282 12.996 14.529 1.00 74.31 H new ATOM 0 HD13 LEU A 113 8.082 11.547 15.541 1.00 74.31 H new ATOM 0 HD21 LEU A 113 5.993 12.849 17.468 1.00 4.14 H new ATOM 0 HD22 LEU A 113 7.369 11.908 18.091 1.00 4.14 H new ATOM 0 HD23 LEU A 113 7.114 13.582 18.639 1.00 4.14 H new ATOM 1769 N GLU A 114 12.775 13.881 16.151 1.00 25.13 N ATOM 1770 CA GLU A 114 14.133 13.690 16.681 1.00 13.42 C ATOM 1771 C GLU A 114 14.853 15.039 16.880 1.00 23.31 C ATOM 1772 O GLU A 114 14.781 15.933 16.029 1.00 25.13 O ATOM 1773 CB GLU A 114 14.960 12.746 15.753 1.00 75.24 C ATOM 1774 CG GLU A 114 15.235 13.265 14.303 1.00 42.44 C ATOM 1775 CD GLU A 114 16.711 13.644 14.035 1.00 3.42 C ATOM 1776 OE1 GLU A 114 17.442 12.854 13.389 1.00 25.33 O ATOM 1777 OE2 GLU A 114 17.155 14.712 14.504 1.00 43.04 O ATOM 0 H GLU A 114 12.659 13.543 15.196 1.00 25.13 H new ATOM 0 HA GLU A 114 14.046 13.216 17.659 1.00 13.42 H new ATOM 0 HB2 GLU A 114 15.918 12.548 16.233 1.00 75.24 H new ATOM 0 HB3 GLU A 114 14.437 11.792 15.681 1.00 75.24 H new ATOM 0 HG2 GLU A 114 14.934 12.497 13.591 1.00 42.44 H new ATOM 0 HG3 GLU A 114 14.608 14.137 14.116 1.00 42.44 H new ATOM 1784 N HIS A 115 15.513 15.180 18.036 1.00 65.10 N ATOM 1785 CA HIS A 115 16.395 16.321 18.353 1.00 42.22 C ATOM 1786 C HIS A 115 17.864 15.885 18.228 1.00 41.14 C ATOM 1787 O HIS A 115 18.756 16.561 18.730 1.00 54.34 O ATOM 1788 CB HIS A 115 16.104 16.848 19.786 1.00 41.13 C ATOM 1789 CG HIS A 115 14.697 17.345 19.996 1.00 61.44 C ATOM 1790 ND1 HIS A 115 14.374 18.681 20.060 1.00 34.14 N ATOM 1791 CD2 HIS A 115 13.528 16.677 20.165 1.00 25.34 C ATOM 1792 CE1 HIS A 115 13.079 18.809 20.257 1.00 60.04 C ATOM 1793 NE2 HIS A 115 12.542 17.614 20.323 1.00 34.31 N ATOM 0 H HIS A 115 15.452 14.497 18.791 1.00 65.10 H new ATOM 0 HA HIS A 115 16.202 17.129 17.648 1.00 42.22 H new ATOM 0 HB2 HIS A 115 16.304 16.050 20.501 1.00 41.13 H new ATOM 0 HB3 HIS A 115 16.799 17.657 20.010 1.00 41.13 H new ATOM 0 HD1 HIS A 115 15.035 19.452 19.969 1.00 34.14 H new ATOM 0 HD2 HIS A 115 13.399 15.605 20.173 1.00 25.34 H new ATOM 0 HE1 HIS A 115 12.546 19.744 20.349 1.00 60.04 H new ATOM 1802 N HIS A 116 18.094 14.762 17.518 1.00 0.21 N ATOM 1803 CA HIS A 116 19.418 14.145 17.330 1.00 20.24 C ATOM 1804 C HIS A 116 20.369 15.107 16.597 1.00 21.53 C ATOM 1805 O HIS A 116 21.458 15.413 17.102 1.00 15.40 O ATOM 1806 CB HIS A 116 19.242 12.791 16.562 1.00 60.32 C ATOM 1807 CG HIS A 116 20.421 12.340 15.724 1.00 70.31 C ATOM 1808 ND1 HIS A 116 20.399 12.354 14.343 1.00 41.43 N ATOM 1809 CD2 HIS A 116 21.652 11.883 16.069 1.00 1.40 C ATOM 1810 CE1 HIS A 116 21.555 11.927 13.881 1.00 32.13 C ATOM 1811 NE2 HIS A 116 22.333 11.638 14.902 1.00 4.10 N ATOM 0 H HIS A 116 17.347 14.249 17.050 1.00 0.21 H new ATOM 0 HA HIS A 116 19.872 13.937 18.299 1.00 20.24 H new ATOM 0 HB2 HIS A 116 19.020 12.010 17.290 1.00 60.32 H new ATOM 0 HB3 HIS A 116 18.372 12.877 15.911 1.00 60.32 H new ATOM 0 HD1 HIS A 116 19.609 12.650 13.770 1.00 41.43 H new ATOM 0 HD2 HIS A 116 22.025 11.739 17.072 1.00 1.40 H new ATOM 0 HE1 HIS A 116 21.821 11.830 12.839 1.00 32.13 H new ATOM 1820 N HIS A 117 19.942 15.585 15.420 1.00 44.04 N ATOM 1821 CA HIS A 117 20.757 16.473 14.570 1.00 25.41 C ATOM 1822 C HIS A 117 20.952 17.849 15.231 1.00 5.01 C ATOM 1823 O HIS A 117 22.037 18.439 15.162 1.00 62.31 O ATOM 1824 CB HIS A 117 20.094 16.623 13.177 1.00 64.12 C ATOM 1825 CG HIS A 117 20.871 17.486 12.205 1.00 2.44 C ATOM 1826 ND1 HIS A 117 21.911 17.006 11.440 1.00 41.31 N ATOM 1827 CD2 HIS A 117 20.768 18.805 11.895 1.00 62.11 C ATOM 1828 CE1 HIS A 117 22.412 17.983 10.713 1.00 31.12 C ATOM 1829 NE2 HIS A 117 21.740 19.085 10.968 1.00 50.13 N ATOM 0 H HIS A 117 19.025 15.370 15.029 1.00 44.04 H new ATOM 0 HA HIS A 117 21.743 16.024 14.446 1.00 25.41 H new ATOM 0 HB2 HIS A 117 19.964 15.632 12.741 1.00 64.12 H new ATOM 0 HB3 HIS A 117 19.098 17.048 13.306 1.00 64.12 H new ATOM 0 HD2 HIS A 117 20.053 19.504 12.303 1.00 62.11 H new ATOM 0 HE1 HIS A 117 23.237 17.894 10.022 1.00 31.12 H new ATOM 0 HE2 HIS A 117 21.913 19.997 10.546 1.00 50.13 H new ATOM 1838 N HIS A 118 19.885 18.336 15.876 1.00 21.43 N ATOM 1839 CA HIS A 118 19.873 19.637 16.568 1.00 34.32 C ATOM 1840 C HIS A 118 20.534 19.546 17.972 1.00 41.12 C ATOM 1841 O HIS A 118 20.690 20.572 18.641 1.00 14.44 O ATOM 1842 CB HIS A 118 18.401 20.148 16.653 1.00 14.12 C ATOM 1843 CG HIS A 118 18.240 21.545 17.209 1.00 15.35 C ATOM 1844 ND1 HIS A 118 17.398 21.849 18.255 1.00 10.22 N ATOM 1845 CD2 HIS A 118 18.802 22.728 16.836 1.00 11.01 C ATOM 1846 CE1 HIS A 118 17.449 23.138 18.503 1.00 2.30 C ATOM 1847 NE2 HIS A 118 18.289 23.694 17.660 1.00 74.45 N ATOM 0 H HIS A 118 18.997 17.837 15.935 1.00 21.43 H new ATOM 0 HA HIS A 118 20.467 20.352 15.999 1.00 34.32 H new ATOM 0 HB2 HIS A 118 17.964 20.118 15.655 1.00 14.12 H new ATOM 0 HB3 HIS A 118 17.828 19.458 17.273 1.00 14.12 H new ATOM 0 HD1 HIS A 118 16.822 21.176 18.761 1.00 10.22 H new ATOM 0 HD2 HIS A 118 19.517 22.876 16.041 1.00 11.01 H new ATOM 0 HE1 HIS A 118 16.893 23.654 19.272 1.00 2.30 H new ATOM 1856 N HIS A 119 20.939 18.312 18.383 1.00 15.11 N ATOM 1857 CA HIS A 119 21.546 18.011 19.711 1.00 30.44 C ATOM 1858 C HIS A 119 20.474 18.095 20.826 1.00 24.25 C ATOM 1859 O HIS A 119 20.115 17.080 21.437 1.00 5.41 O ATOM 1860 CB HIS A 119 22.789 18.919 19.990 1.00 14.24 C ATOM 1861 CG HIS A 119 23.415 18.804 21.364 1.00 64.32 C ATOM 1862 ND1 HIS A 119 24.496 17.984 21.643 1.00 73.44 N ATOM 1863 CD2 HIS A 119 23.150 19.460 22.521 1.00 53.24 C ATOM 1864 CE1 HIS A 119 24.859 18.146 22.901 1.00 41.03 C ATOM 1865 NE2 HIS A 119 24.058 19.035 23.449 1.00 33.12 N ATOM 0 H HIS A 119 20.851 17.486 17.791 1.00 15.11 H new ATOM 0 HA HIS A 119 21.919 16.987 19.702 1.00 30.44 H new ATOM 0 HB2 HIS A 119 23.553 18.690 19.247 1.00 14.24 H new ATOM 0 HB3 HIS A 119 22.495 19.957 19.835 1.00 14.24 H new ATOM 0 HD2 HIS A 119 22.365 20.185 22.680 1.00 53.24 H new ATOM 0 HE1 HIS A 119 25.673 17.637 23.396 1.00 41.03 H new ATOM 0 HE2 HIS A 119 24.107 19.356 24.416 1.00 33.12 H new ATOM 1874 N HIS A 120 19.968 19.305 21.075 1.00 33.24 N ATOM 1875 CA HIS A 120 18.873 19.555 22.016 1.00 14.34 C ATOM 1876 C HIS A 120 17.909 20.569 21.361 1.00 51.42 C ATOM 1877 O HIS A 120 18.152 21.790 21.452 1.00 3.31 O ATOM 1878 CB HIS A 120 19.443 20.045 23.383 1.00 50.11 C ATOM 1879 CG HIS A 120 18.411 20.332 24.446 1.00 15.24 C ATOM 1880 ND1 HIS A 120 18.407 21.492 25.189 1.00 64.13 N ATOM 1881 CD2 HIS A 120 17.383 19.588 24.923 1.00 14.14 C ATOM 1882 CE1 HIS A 120 17.429 21.452 26.067 1.00 11.13 C ATOM 1883 NE2 HIS A 120 16.793 20.309 25.928 1.00 11.10 N ATOM 1884 OXT HIS A 120 16.935 20.138 20.698 1.00 37.75 O ATOM 0 H HIS A 120 20.312 20.151 20.622 1.00 33.24 H new ATOM 0 HA HIS A 120 18.316 18.643 22.232 1.00 14.34 H new ATOM 0 HB2 HIS A 120 20.131 19.290 23.763 1.00 50.11 H new ATOM 0 HB3 HIS A 120 20.026 20.950 23.212 1.00 50.11 H new ATOM 0 HD2 HIS A 120 17.085 18.610 24.576 1.00 14.14 H new ATOM 0 HE1 HIS A 120 17.189 22.226 26.781 1.00 11.13 H new ATOM 0 HE2 HIS A 120 15.990 20.008 26.480 1.00 11.10 H new TER 1893 HIS A 120