USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 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 30 CYS SG : rot -156:sc= -0.065 USER MOD Set 1.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 93 ASN : amide:sc= -1.75! K(o=-5.3!,f=-0.95) USER MOD Set 2.2: A 100 ASN : amide:sc= -3.51! K(o=-5.3!,f=-0.95) USER MOD Set 3.1: A 42 TYR OH : rot -138:sc= 0.0569 USER MOD Set 3.2: A 45 SER OG : rot -159:sc= -0.0939 USER MOD Set 3.3: A 49 ASN : amide:sc= 0.125 K(o=0.088,f=-1) USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 79 TYR OH : rot -78:sc= 0.114 USER MOD Set 4.3: A 101 SER OG : rot -155:sc= 0.533 USER MOD Set 4.4: A 103 LYS NZ :NH3+ 152:sc= 0.126 (180deg=-1.5!) USER MOD Set 5.1: A 29 THR OG1 : rot -12:sc= 1.28 USER MOD Set 5.2: A 43 THR OG1 : rot -74:sc= 0.792 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.141 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.01! K(o=-2!,f=-0.046) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 27:sc= 1.22 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 148:sc= 0.253 USER MOD Single : A 60 SER OG : rot 139:sc= 0.0213 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0.351 (180deg=0.351) USER MOD Single : A 67 LYS NZ :NH3+ 143:sc= -0.342 (180deg=-1.86!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.047) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.589 USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00411 USER MOD Single : A 78 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.08) USER MOD Single : A 80 HIS : no HE2:sc= -0.105 K(o=-0.1,f=-0.88) USER MOD Single : A 83 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.06) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -162:sc= -2.63! (180deg=-3.03!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.489) USER MOD Single : A 109 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.131 -5.048 -3.724 1.00 1.03 N ATOM 2 CA GLY A 1 24.968 -4.526 -2.638 1.00 1.14 C ATOM 3 C GLY A 1 24.113 -3.945 -1.527 1.00 14.21 C ATOM 4 O GLY A 1 22.883 -4.023 -1.573 1.00 23.43 O ATOM 0 H1 GLY A 1 24.398 -6.033 -3.925 1.00 1.03 H new ATOM 0 H2 GLY A 1 23.131 -5.012 -3.440 1.00 1.03 H new ATOM 0 H3 GLY A 1 24.270 -4.470 -4.578 1.00 1.03 H new ATOM 0 HA2 GLY A 1 25.595 -5.324 -2.240 1.00 1.14 H new ATOM 0 HA3 GLY A 1 25.638 -3.759 -3.026 1.00 1.14 H new ATOM 8 N ASP A 2 24.765 -3.351 -0.528 1.00 63.23 N ATOM 9 CA ASP A 2 24.154 -2.905 0.721 1.00 74.42 C ATOM 10 C ASP A 2 23.527 -4.071 1.490 1.00 3.43 C ATOM 11 O ASP A 2 23.648 -5.244 1.120 1.00 30.24 O ATOM 12 CB ASP A 2 23.124 -1.777 0.567 1.00 4.14 C ATOM 13 CG ASP A 2 23.550 -0.590 -0.267 1.00 72.23 C ATOM 14 OD1 ASP A 2 24.356 0.225 0.213 1.00 21.34 O ATOM 15 OD2 ASP A 2 23.000 -0.444 -1.389 1.00 11.01 O ATOM 0 H ASP A 2 25.766 -3.161 -0.569 1.00 63.23 H new ATOM 0 HA ASP A 2 24.985 -2.488 1.290 1.00 74.42 H new ATOM 0 HB2 ASP A 2 22.220 -2.197 0.127 1.00 4.14 H new ATOM 0 HB3 ASP A 2 22.858 -1.419 1.561 1.00 4.14 H new ATOM 20 N GLU A 3 22.854 -3.724 2.585 1.00 50.01 N ATOM 21 CA GLU A 3 22.389 -4.611 3.625 1.00 22.33 C ATOM 22 C GLU A 3 20.938 -4.253 3.978 1.00 30.44 C ATOM 23 O GLU A 3 20.524 -4.336 5.135 1.00 50.21 O ATOM 24 CB GLU A 3 23.352 -4.478 4.819 1.00 43.44 C ATOM 25 CG GLU A 3 24.774 -4.989 4.503 1.00 50.12 C ATOM 26 CD GLU A 3 25.856 -3.911 4.358 1.00 13.22 C ATOM 27 OE1 GLU A 3 25.972 -3.279 3.279 1.00 71.21 O ATOM 28 OE2 GLU A 3 26.678 -3.821 5.294 1.00 74.13 O ATOM 0 H GLU A 3 22.608 -2.752 2.772 1.00 50.01 H new ATOM 0 HA GLU A 3 22.386 -5.654 3.307 1.00 22.33 H new ATOM 0 HB2 GLU A 3 23.406 -3.432 5.121 1.00 43.44 H new ATOM 0 HB3 GLU A 3 22.951 -5.034 5.666 1.00 43.44 H new ATOM 0 HG2 GLU A 3 25.076 -5.676 5.293 1.00 50.12 H new ATOM 0 HG3 GLU A 3 24.735 -5.564 3.578 1.00 50.12 H new ATOM 35 N ASP A 4 20.131 -3.841 2.994 1.00 2.13 N ATOM 36 CA ASP A 4 18.790 -3.273 3.197 1.00 22.53 C ATOM 37 C ASP A 4 17.718 -4.227 2.690 1.00 11.14 C ATOM 38 O ASP A 4 16.619 -3.812 2.335 1.00 50.43 O ATOM 39 CB ASP A 4 18.581 -1.912 2.532 1.00 50.15 C ATOM 40 CG ASP A 4 19.679 -0.879 2.708 1.00 11.21 C ATOM 41 OD1 ASP A 4 19.723 -0.252 3.799 1.00 23.43 O ATOM 42 OD2 ASP A 4 20.429 -0.691 1.727 1.00 10.41 O ATOM 0 H ASP A 4 20.397 -3.894 2.011 1.00 2.13 H new ATOM 0 HA ASP A 4 18.706 -3.127 4.274 1.00 22.53 H new ATOM 0 HB2 ASP A 4 18.439 -2.076 1.464 1.00 50.15 H new ATOM 0 HB3 ASP A 4 17.653 -1.488 2.915 1.00 50.15 H new ATOM 47 N ASP A 5 18.058 -5.510 2.610 1.00 43.03 N ATOM 48 CA ASP A 5 17.227 -6.585 2.073 1.00 25.30 C ATOM 49 C ASP A 5 16.800 -6.316 0.619 1.00 63.34 C ATOM 50 O ASP A 5 15.879 -6.978 0.128 1.00 54.05 O ATOM 51 CB ASP A 5 16.026 -6.843 2.995 1.00 11.33 C ATOM 52 CG ASP A 5 16.368 -7.459 4.343 1.00 70.13 C ATOM 53 OD1 ASP A 5 17.155 -8.437 4.383 1.00 32.23 O ATOM 54 OD2 ASP A 5 15.830 -6.969 5.354 1.00 5.21 O ATOM 0 H ASP A 5 18.965 -5.846 2.934 1.00 43.03 H new ATOM 0 HA ASP A 5 17.828 -7.494 2.045 1.00 25.30 H new ATOM 0 HB2 ASP A 5 15.509 -5.899 3.165 1.00 11.33 H new ATOM 0 HB3 ASP A 5 15.327 -7.501 2.479 1.00 11.33 H new ATOM 59 N LYS A 6 17.529 -5.437 -0.093 1.00 22.50 N ATOM 60 CA LYS A 6 17.241 -4.837 -1.394 1.00 44.01 C ATOM 61 C LYS A 6 15.969 -3.990 -1.342 1.00 41.12 C ATOM 62 O LYS A 6 14.923 -4.388 -1.853 1.00 4.40 O ATOM 63 CB LYS A 6 17.249 -5.894 -2.511 1.00 14.33 C ATOM 64 CG LYS A 6 18.647 -6.213 -3.077 1.00 71.52 C ATOM 65 CD LYS A 6 18.921 -5.496 -4.406 1.00 41.45 C ATOM 66 CE LYS A 6 18.041 -6.056 -5.532 1.00 11.30 C ATOM 67 NZ LYS A 6 18.083 -5.233 -6.754 1.00 41.22 N ATOM 0 H LYS A 6 18.421 -5.101 0.271 1.00 22.50 H new ATOM 0 HA LYS A 6 18.043 -4.144 -1.646 1.00 44.01 H new ATOM 0 HB2 LYS A 6 16.807 -6.814 -2.127 1.00 14.33 H new ATOM 0 HB3 LYS A 6 16.611 -5.550 -3.325 1.00 14.33 H new ATOM 0 HG2 LYS A 6 19.405 -5.924 -2.349 1.00 71.52 H new ATOM 0 HG3 LYS A 6 18.739 -7.289 -3.223 1.00 71.52 H new ATOM 0 HD2 LYS A 6 18.733 -4.428 -4.291 1.00 41.45 H new ATOM 0 HD3 LYS A 6 19.972 -5.608 -4.673 1.00 41.45 H new ATOM 0 HE2 LYS A 6 18.365 -7.069 -5.771 1.00 11.30 H new ATOM 0 HE3 LYS A 6 17.011 -6.125 -5.182 1.00 11.30 H new ATOM 0 HZ1 LYS A 6 17.471 -5.658 -7.480 1.00 41.22 H new ATOM 0 HZ2 LYS A 6 17.748 -4.273 -6.537 1.00 41.22 H new ATOM 0 HZ3 LYS A 6 19.060 -5.187 -7.108 1.00 41.22 H new ATOM 81 N VAL A 7 16.079 -2.786 -0.785 1.00 34.22 N ATOM 82 CA VAL A 7 15.098 -1.707 -0.916 1.00 4.12 C ATOM 83 C VAL A 7 15.410 -0.896 -2.182 1.00 22.52 C ATOM 84 O VAL A 7 16.364 -0.118 -2.232 1.00 74.55 O ATOM 85 CB VAL A 7 15.044 -0.894 0.398 1.00 34.51 C ATOM 86 CG1 VAL A 7 16.326 -0.119 0.719 1.00 11.01 C ATOM 87 CG2 VAL A 7 13.873 0.093 0.405 1.00 65.32 C ATOM 0 H VAL A 7 16.880 -2.524 -0.210 1.00 34.22 H new ATOM 0 HA VAL A 7 14.087 -2.089 -1.055 1.00 4.12 H new ATOM 0 HB VAL A 7 14.914 -1.652 1.170 1.00 34.51 H new ATOM 0 HG11 VAL A 7 16.199 0.422 1.657 1.00 11.01 H new ATOM 0 HG12 VAL A 7 17.159 -0.816 0.812 1.00 11.01 H new ATOM 0 HG13 VAL A 7 16.533 0.589 -0.083 1.00 11.01 H new ATOM 0 HG21 VAL A 7 13.869 0.646 1.345 1.00 65.32 H new ATOM 0 HG22 VAL A 7 13.980 0.790 -0.426 1.00 65.32 H new ATOM 0 HG23 VAL A 7 12.936 -0.454 0.301 1.00 65.32 H new ATOM 97 N GLU A 8 14.613 -1.094 -3.227 1.00 74.11 N ATOM 98 CA GLU A 8 14.459 -0.140 -4.321 1.00 23.34 C ATOM 99 C GLU A 8 13.249 0.747 -4.027 1.00 32.54 C ATOM 100 O GLU A 8 12.346 0.364 -3.275 1.00 45.02 O ATOM 101 CB GLU A 8 14.198 -0.892 -5.640 1.00 14.23 C ATOM 102 CG GLU A 8 15.430 -1.091 -6.523 1.00 14.14 C ATOM 103 CD GLU A 8 15.081 -1.060 -8.025 1.00 62.51 C ATOM 104 OE1 GLU A 8 14.363 -1.967 -8.501 1.00 72.42 O ATOM 105 OE2 GLU A 8 15.472 -0.084 -8.712 1.00 21.24 O ATOM 0 H GLU A 8 14.047 -1.935 -3.340 1.00 74.11 H new ATOM 0 HA GLU A 8 15.367 0.456 -4.412 1.00 23.34 H new ATOM 0 HB2 GLU A 8 13.775 -1.869 -5.406 1.00 14.23 H new ATOM 0 HB3 GLU A 8 13.445 -0.347 -6.209 1.00 14.23 H new ATOM 0 HG2 GLU A 8 16.161 -0.312 -6.305 1.00 14.14 H new ATOM 0 HG3 GLU A 8 15.899 -2.045 -6.280 1.00 14.14 H new ATOM 112 N ILE A 9 13.180 1.899 -4.690 1.00 53.04 N ATOM 113 CA ILE A 9 11.947 2.650 -4.879 1.00 71.52 C ATOM 114 C ILE A 9 11.120 1.974 -5.994 1.00 45.03 C ATOM 115 O ILE A 9 10.045 1.459 -5.687 1.00 25.44 O ATOM 116 CB ILE A 9 12.275 4.155 -5.066 1.00 31.33 C ATOM 117 CG1 ILE A 9 12.617 4.798 -3.693 1.00 21.52 C ATOM 118 CG2 ILE A 9 11.115 4.931 -5.717 1.00 11.13 C ATOM 119 CD1 ILE A 9 14.103 4.783 -3.311 1.00 14.45 C ATOM 0 H ILE A 9 13.994 2.342 -5.117 1.00 53.04 H new ATOM 0 HA ILE A 9 11.303 2.630 -4.000 1.00 71.52 H new ATOM 0 HB ILE A 9 13.133 4.215 -5.736 1.00 31.33 H new ATOM 0 HG12 ILE A 9 12.271 5.832 -3.699 1.00 21.52 H new ATOM 0 HG13 ILE A 9 12.055 4.278 -2.917 1.00 21.52 H new ATOM 0 HG21 ILE A 9 11.394 5.979 -5.826 1.00 11.13 H new ATOM 0 HG22 ILE A 9 10.900 4.509 -6.699 1.00 11.13 H new ATOM 0 HG23 ILE A 9 10.228 4.855 -5.088 1.00 11.13 H new ATOM 0 HD11 ILE A 9 14.233 5.255 -2.337 1.00 14.45 H new ATOM 0 HD12 ILE A 9 14.457 3.753 -3.265 1.00 14.45 H new ATOM 0 HD13 ILE A 9 14.676 5.331 -4.059 1.00 14.45 H new ATOM 131 N PRO A 10 11.563 1.900 -7.268 1.00 11.33 N ATOM 132 CA PRO A 10 10.677 1.485 -8.360 1.00 51.15 C ATOM 133 C PRO A 10 10.265 0.002 -8.325 1.00 3.03 C ATOM 134 O PRO A 10 9.319 -0.393 -9.003 1.00 52.34 O ATOM 135 CB PRO A 10 11.408 1.851 -9.650 1.00 25.35 C ATOM 136 CG PRO A 10 12.875 1.821 -9.243 1.00 5.42 C ATOM 137 CD PRO A 10 12.847 2.333 -7.807 1.00 63.13 C ATOM 0 HA PRO A 10 9.721 2.001 -8.270 1.00 51.15 H new ATOM 0 HB2 PRO A 10 11.197 1.139 -10.448 1.00 25.35 H new ATOM 0 HB3 PRO A 10 11.112 2.835 -10.015 1.00 25.35 H new ATOM 0 HG2 PRO A 10 13.290 0.815 -9.304 1.00 5.42 H new ATOM 0 HG3 PRO A 10 13.485 2.456 -9.886 1.00 5.42 H new ATOM 0 HD2 PRO A 10 13.675 1.924 -7.228 1.00 63.13 H new ATOM 0 HD3 PRO A 10 12.941 3.418 -7.775 1.00 63.13 H new ATOM 145 N GLN A 11 10.876 -0.828 -7.474 1.00 42.34 N ATOM 146 CA GLN A 11 10.384 -2.176 -7.193 1.00 73.55 C ATOM 147 C GLN A 11 8.955 -2.179 -6.652 1.00 22.31 C ATOM 148 O GLN A 11 8.271 -3.203 -6.763 1.00 63.31 O ATOM 149 CB GLN A 11 11.377 -2.896 -6.275 1.00 41.24 C ATOM 150 CG GLN A 11 11.277 -4.430 -6.248 1.00 32.42 C ATOM 151 CD GLN A 11 12.125 -5.070 -7.344 1.00 44.15 C ATOM 152 OE1 GLN A 11 13.287 -5.409 -7.156 1.00 71.44 O ATOM 153 NE2 GLN A 11 11.574 -5.267 -8.525 1.00 45.02 N ATOM 0 H GLN A 11 11.724 -0.583 -6.963 1.00 42.34 H new ATOM 0 HA GLN A 11 10.323 -2.730 -8.130 1.00 73.55 H new ATOM 0 HB2 GLN A 11 12.387 -2.623 -6.579 1.00 41.24 H new ATOM 0 HB3 GLN A 11 11.238 -2.524 -5.260 1.00 41.24 H new ATOM 0 HG2 GLN A 11 11.601 -4.799 -5.275 1.00 32.42 H new ATOM 0 HG3 GLN A 11 10.236 -4.729 -6.372 1.00 32.42 H new ATOM 0 HE21 GLN A 11 10.607 -4.988 -8.690 1.00 45.02 H new ATOM 0 HE22 GLN A 11 12.115 -5.699 -9.274 1.00 45.02 H new ATOM 162 N LEU A 12 8.457 -1.038 -6.174 1.00 3.13 N ATOM 163 CA LEU A 12 7.109 -0.903 -5.669 1.00 33.43 C ATOM 164 C LEU A 12 6.032 -1.371 -6.640 1.00 74.51 C ATOM 165 O LEU A 12 5.060 -1.966 -6.187 1.00 3.23 O ATOM 166 CB LEU A 12 6.837 0.568 -5.335 1.00 34.52 C ATOM 167 CG LEU A 12 5.549 0.782 -4.513 1.00 42.11 C ATOM 168 CD1 LEU A 12 5.814 0.522 -3.033 1.00 3.43 C ATOM 169 CD2 LEU A 12 5.092 2.221 -4.695 1.00 64.51 C ATOM 0 H LEU A 12 8.996 -0.173 -6.130 1.00 3.13 H new ATOM 0 HA LEU A 12 7.054 -1.543 -4.789 1.00 33.43 H new ATOM 0 HB2 LEU A 12 7.685 0.969 -4.779 1.00 34.52 H new ATOM 0 HB3 LEU A 12 6.766 1.136 -6.262 1.00 34.52 H new ATOM 0 HG LEU A 12 4.780 0.090 -4.858 1.00 42.11 H new ATOM 0 HD11 LEU A 12 4.896 0.677 -2.466 1.00 3.43 H new ATOM 0 HD12 LEU A 12 6.154 -0.505 -2.899 1.00 3.43 H new ATOM 0 HD13 LEU A 12 6.582 1.208 -2.675 1.00 3.43 H new ATOM 0 HD21 LEU A 12 4.182 2.389 -4.120 1.00 64.51 H new ATOM 0 HD22 LEU A 12 5.872 2.897 -4.346 1.00 64.51 H new ATOM 0 HD23 LEU A 12 4.894 2.409 -5.750 1.00 64.51 H new ATOM 181 N VAL A 13 6.223 -1.129 -7.941 1.00 42.35 N ATOM 182 CA VAL A 13 5.249 -1.267 -9.029 1.00 23.53 C ATOM 183 C VAL A 13 4.608 -2.665 -9.108 1.00 32.54 C ATOM 184 O VAL A 13 3.630 -2.862 -9.822 1.00 4.44 O ATOM 185 CB VAL A 13 5.962 -0.866 -10.346 1.00 3.31 C ATOM 186 CG1 VAL A 13 5.069 -0.979 -11.588 1.00 30.43 C ATOM 187 CG2 VAL A 13 6.499 0.573 -10.285 1.00 25.11 C ATOM 0 H VAL A 13 7.128 -0.808 -8.286 1.00 42.35 H new ATOM 0 HA VAL A 13 4.404 -0.605 -8.839 1.00 23.53 H new ATOM 0 HB VAL A 13 6.781 -1.580 -10.440 1.00 3.31 H new ATOM 0 HG11 VAL A 13 5.635 -0.683 -12.471 1.00 30.43 H new ATOM 0 HG12 VAL A 13 4.733 -2.010 -11.702 1.00 30.43 H new ATOM 0 HG13 VAL A 13 4.204 -0.325 -11.475 1.00 30.43 H new ATOM 0 HG21 VAL A 13 6.992 0.818 -11.226 1.00 25.11 H new ATOM 0 HG22 VAL A 13 5.672 1.263 -10.119 1.00 25.11 H new ATOM 0 HG23 VAL A 13 7.214 0.660 -9.467 1.00 25.11 H new ATOM 197 N GLY A 14 5.125 -3.664 -8.400 1.00 4.43 N ATOM 198 CA GLY A 14 4.486 -4.959 -8.297 1.00 13.00 C ATOM 199 C GLY A 14 3.191 -4.953 -7.490 1.00 74.12 C ATOM 200 O GLY A 14 2.802 -3.969 -6.864 1.00 22.31 O ATOM 0 H GLY A 14 6.001 -3.592 -7.883 1.00 4.43 H new ATOM 0 HA2 GLY A 14 4.274 -5.328 -9.300 1.00 13.00 H new ATOM 0 HA3 GLY A 14 5.183 -5.661 -7.839 1.00 13.00 H new ATOM 204 N LYS A 15 2.536 -6.112 -7.509 1.00 10.40 N ATOM 205 CA LYS A 15 1.280 -6.376 -6.818 1.00 70.42 C ATOM 206 C LYS A 15 1.569 -6.762 -5.367 1.00 42.32 C ATOM 207 O LYS A 15 2.514 -7.525 -5.122 1.00 70.25 O ATOM 208 CB LYS A 15 0.562 -7.534 -7.522 1.00 74.52 C ATOM 209 CG LYS A 15 0.288 -7.387 -9.033 1.00 32.54 C ATOM 210 CD LYS A 15 0.356 -8.749 -9.734 1.00 45.03 C ATOM 211 CE LYS A 15 1.779 -9.035 -10.236 1.00 32.14 C ATOM 212 NZ LYS A 15 1.991 -10.479 -10.442 1.00 74.33 N ATOM 0 H LYS A 15 2.880 -6.921 -8.026 1.00 10.40 H new ATOM 0 HA LYS A 15 0.652 -5.485 -6.835 1.00 70.42 H new ATOM 0 HB2 LYS A 15 1.154 -8.437 -7.374 1.00 74.52 H new ATOM 0 HB3 LYS A 15 -0.393 -7.693 -7.021 1.00 74.52 H new ATOM 0 HG2 LYS A 15 -0.695 -6.942 -9.187 1.00 32.54 H new ATOM 0 HG3 LYS A 15 1.018 -6.709 -9.475 1.00 32.54 H new ATOM 0 HD2 LYS A 15 0.044 -9.534 -9.044 1.00 45.03 H new ATOM 0 HD3 LYS A 15 -0.340 -8.766 -10.572 1.00 45.03 H new ATOM 0 HE2 LYS A 15 1.952 -8.502 -11.171 1.00 32.14 H new ATOM 0 HE3 LYS A 15 2.504 -8.657 -9.516 1.00 32.14 H new ATOM 0 HZ1 LYS A 15 2.960 -10.643 -10.781 1.00 74.33 H new ATOM 0 HZ2 LYS A 15 1.849 -10.982 -9.543 1.00 74.33 H new ATOM 0 HZ3 LYS A 15 1.313 -10.832 -11.147 1.00 74.33 H new ATOM 226 N TRP A 16 0.720 -6.341 -4.430 1.00 12.23 N ATOM 227 CA TRP A 16 0.917 -6.527 -2.994 1.00 10.01 C ATOM 228 C TRP A 16 -0.380 -6.956 -2.339 1.00 45.41 C ATOM 229 O TRP A 16 -1.411 -6.407 -2.700 1.00 5.32 O ATOM 230 CB TRP A 16 1.366 -5.207 -2.375 1.00 74.53 C ATOM 231 CG TRP A 16 2.688 -4.747 -2.845 1.00 10.33 C ATOM 232 CD1 TRP A 16 2.919 -3.969 -3.916 1.00 3.44 C ATOM 233 CD2 TRP A 16 3.990 -5.115 -2.328 1.00 34.31 C ATOM 234 NE1 TRP A 16 4.278 -3.799 -4.086 1.00 52.35 N ATOM 235 CE2 TRP A 16 4.994 -4.520 -3.150 1.00 74.13 C ATOM 236 CE3 TRP A 16 4.410 -5.932 -1.261 1.00 25.12 C ATOM 237 CZ2 TRP A 16 6.361 -4.745 -2.928 1.00 5.31 C ATOM 238 CZ3 TRP A 16 5.773 -6.171 -1.044 1.00 14.42 C ATOM 239 CH2 TRP A 16 6.745 -5.582 -1.865 1.00 23.10 C ATOM 0 H TRP A 16 -0.145 -5.849 -4.655 1.00 12.23 H new ATOM 0 HA TRP A 16 1.673 -7.297 -2.837 1.00 10.01 H new ATOM 0 HB2 TRP A 16 0.624 -4.440 -2.599 1.00 74.53 H new ATOM 0 HB3 TRP A 16 1.394 -5.316 -1.291 1.00 74.53 H new ATOM 0 HD1 TRP A 16 2.156 -3.541 -4.549 1.00 3.44 H new ATOM 0 HE1 TRP A 16 4.699 -3.216 -4.809 1.00 52.35 H new ATOM 0 HE3 TRP A 16 3.676 -6.377 -0.605 1.00 25.12 H new ATOM 0 HZ2 TRP A 16 7.104 -4.284 -3.562 1.00 5.31 H new ATOM 0 HZ3 TRP A 16 6.079 -6.817 -0.234 1.00 14.42 H new ATOM 0 HH2 TRP A 16 7.792 -5.772 -1.681 1.00 23.10 H new ATOM 250 N ILE A 17 -0.337 -7.848 -1.343 1.00 23.33 N ATOM 251 CA ILE A 17 -1.501 -8.235 -0.549 1.00 25.22 C ATOM 252 C ILE A 17 -1.325 -7.743 0.879 1.00 61.53 C ATOM 253 O ILE A 17 -0.216 -7.760 1.412 1.00 12.01 O ATOM 254 CB ILE A 17 -1.727 -9.765 -0.597 1.00 22.32 C ATOM 255 CG1 ILE A 17 -3.204 -10.030 -0.280 1.00 12.31 C ATOM 256 CG2 ILE A 17 -0.798 -10.588 0.323 1.00 5.23 C ATOM 257 CD1 ILE A 17 -3.673 -11.418 -0.653 1.00 54.21 C ATOM 0 H ILE A 17 0.520 -8.326 -1.065 1.00 23.33 H new ATOM 0 HA ILE A 17 -2.391 -7.770 -0.973 1.00 25.22 H new ATOM 0 HB ILE A 17 -1.468 -10.106 -1.599 1.00 22.32 H new ATOM 0 HG12 ILE A 17 -3.370 -9.876 0.786 1.00 12.31 H new ATOM 0 HG13 ILE A 17 -3.815 -9.297 -0.807 1.00 12.31 H new ATOM 0 HG21 ILE A 17 -1.031 -11.648 0.221 1.00 5.23 H new ATOM 0 HG22 ILE A 17 0.240 -10.416 0.040 1.00 5.23 H new ATOM 0 HG23 ILE A 17 -0.947 -10.282 1.358 1.00 5.23 H new ATOM 0 HD11 ILE A 17 -4.727 -11.527 -0.398 1.00 54.21 H new ATOM 0 HD12 ILE A 17 -3.542 -11.571 -1.724 1.00 54.21 H new ATOM 0 HD13 ILE A 17 -3.089 -12.159 -0.107 1.00 54.21 H new ATOM 269 N VAL A 18 -2.427 -7.377 1.531 1.00 21.43 N ATOM 270 CA VAL A 18 -2.472 -7.003 2.943 1.00 25.30 C ATOM 271 C VAL A 18 -2.413 -8.205 3.876 1.00 12.01 C ATOM 272 O VAL A 18 -2.444 -8.042 5.089 1.00 4.44 O ATOM 273 CB VAL A 18 -3.752 -6.166 3.214 1.00 50.42 C ATOM 274 CG1 VAL A 18 -5.056 -6.961 3.311 1.00 53.35 C ATOM 275 CG2 VAL A 18 -3.599 -5.369 4.488 1.00 42.15 C ATOM 0 H VAL A 18 -3.340 -7.331 1.078 1.00 21.43 H new ATOM 0 HA VAL A 18 -1.584 -6.407 3.154 1.00 25.30 H new ATOM 0 HB VAL A 18 -3.840 -5.528 2.334 1.00 50.42 H new ATOM 0 HG11 VAL A 18 -5.885 -6.279 3.502 1.00 53.35 H new ATOM 0 HG12 VAL A 18 -5.230 -7.490 2.374 1.00 53.35 H new ATOM 0 HG13 VAL A 18 -4.984 -7.681 4.126 1.00 53.35 H new ATOM 0 HG21 VAL A 18 -4.504 -4.788 4.664 1.00 42.15 H new ATOM 0 HG22 VAL A 18 -3.435 -6.048 5.325 1.00 42.15 H new ATOM 0 HG23 VAL A 18 -2.747 -4.695 4.396 1.00 42.15 H new ATOM 285 N LYS A 19 -2.431 -9.405 3.311 1.00 51.03 N ATOM 286 CA LYS A 19 -2.779 -10.647 3.992 1.00 33.33 C ATOM 287 C LYS A 19 -1.558 -11.153 4.758 1.00 64.11 C ATOM 288 O LYS A 19 -1.105 -12.273 4.562 1.00 31.31 O ATOM 289 CB LYS A 19 -3.412 -11.632 2.979 1.00 2.03 C ATOM 290 CG LYS A 19 -3.949 -12.920 3.607 1.00 52.33 C ATOM 291 CD LYS A 19 -4.891 -13.722 2.695 1.00 5.44 C ATOM 292 CE LYS A 19 -4.159 -14.480 1.575 1.00 61.44 C ATOM 293 NZ LYS A 19 -5.091 -15.329 0.799 1.00 52.43 N ATOM 0 H LYS A 19 -2.195 -9.546 2.329 1.00 51.03 H new ATOM 0 HA LYS A 19 -3.549 -10.505 4.750 1.00 33.33 H new ATOM 0 HB2 LYS A 19 -4.227 -11.127 2.459 1.00 2.03 H new ATOM 0 HB3 LYS A 19 -2.667 -11.891 2.227 1.00 2.03 H new ATOM 0 HG2 LYS A 19 -3.107 -13.553 3.887 1.00 52.33 H new ATOM 0 HG3 LYS A 19 -4.478 -12.669 4.526 1.00 52.33 H new ATOM 0 HD2 LYS A 19 -5.451 -14.435 3.300 1.00 5.44 H new ATOM 0 HD3 LYS A 19 -5.618 -13.043 2.249 1.00 5.44 H new ATOM 0 HE2 LYS A 19 -3.673 -13.767 0.909 1.00 61.44 H new ATOM 0 HE3 LYS A 19 -3.373 -15.100 2.006 1.00 61.44 H new ATOM 0 HZ1 LYS A 19 -4.567 -15.827 0.052 1.00 52.43 H new ATOM 0 HZ2 LYS A 19 -5.536 -16.024 1.432 1.00 52.43 H new ATOM 0 HZ3 LYS A 19 -5.826 -14.733 0.368 1.00 52.43 H new ATOM 307 N GLU A 20 -0.993 -10.275 5.579 1.00 13.02 N ATOM 308 CA GLU A 20 0.200 -10.467 6.367 1.00 30.23 C ATOM 309 C GLU A 20 0.380 -9.215 7.262 1.00 24.23 C ATOM 310 O GLU A 20 0.721 -8.136 6.757 1.00 30.43 O ATOM 311 CB GLU A 20 1.404 -10.714 5.436 1.00 22.10 C ATOM 312 CG GLU A 20 1.985 -12.131 5.542 1.00 10.12 C ATOM 313 CD GLU A 20 2.254 -12.585 6.975 1.00 5.14 C ATOM 314 OE1 GLU A 20 2.585 -11.741 7.830 1.00 30.44 O ATOM 315 OE2 GLU A 20 2.052 -13.793 7.246 1.00 61.43 O ATOM 0 H GLU A 20 -1.392 -9.346 5.715 1.00 13.02 H new ATOM 0 HA GLU A 20 0.121 -11.344 7.010 1.00 30.23 H new ATOM 0 HB2 GLU A 20 1.099 -10.532 4.406 1.00 22.10 H new ATOM 0 HB3 GLU A 20 2.186 -9.992 5.669 1.00 22.10 H new ATOM 0 HG2 GLU A 20 1.295 -12.832 5.073 1.00 10.12 H new ATOM 0 HG3 GLU A 20 2.916 -12.174 4.977 1.00 10.12 H new ATOM 322 N PRO A 21 0.093 -9.295 8.576 1.00 1.24 N ATOM 323 CA PRO A 21 -0.742 -10.322 9.183 1.00 21.40 C ATOM 324 C PRO A 21 -2.176 -10.236 8.643 1.00 43.41 C ATOM 325 O PRO A 21 -2.662 -9.171 8.246 1.00 64.11 O ATOM 326 CB PRO A 21 -0.703 -10.087 10.693 1.00 23.43 C ATOM 327 CG PRO A 21 -0.240 -8.642 10.856 1.00 1.23 C ATOM 328 CD PRO A 21 0.478 -8.291 9.555 1.00 30.52 C ATOM 0 HA PRO A 21 -0.376 -11.320 8.944 1.00 21.40 H new ATOM 0 HB2 PRO A 21 -1.685 -10.240 11.142 1.00 23.43 H new ATOM 0 HB3 PRO A 21 -0.017 -10.779 11.183 1.00 23.43 H new ATOM 0 HG2 PRO A 21 -1.086 -7.977 11.029 1.00 1.23 H new ATOM 0 HG3 PRO A 21 0.427 -8.538 11.712 1.00 1.23 H new ATOM 0 HD2 PRO A 21 0.198 -7.294 9.216 1.00 30.52 H new ATOM 0 HD3 PRO A 21 1.558 -8.287 9.699 1.00 30.52 H new ATOM 336 N VAL A 22 -2.873 -11.369 8.621 1.00 3.41 N ATOM 337 CA VAL A 22 -4.209 -11.464 8.035 1.00 51.23 C ATOM 338 C VAL A 22 -5.248 -10.785 8.924 1.00 43.45 C ATOM 339 O VAL A 22 -5.004 -10.526 10.109 1.00 53.14 O ATOM 340 CB VAL A 22 -4.536 -12.952 7.755 1.00 52.32 C ATOM 341 CG1 VAL A 22 -5.817 -13.134 6.920 1.00 44.05 C ATOM 342 CG2 VAL A 22 -3.377 -13.703 7.061 1.00 31.32 C ATOM 0 H VAL A 22 -2.529 -12.247 9.009 1.00 3.41 H new ATOM 0 HA VAL A 22 -4.235 -10.930 7.085 1.00 51.23 H new ATOM 0 HB VAL A 22 -4.693 -13.386 8.742 1.00 52.32 H new ATOM 0 HG11 VAL A 22 -5.996 -14.196 6.755 1.00 44.05 H new ATOM 0 HG12 VAL A 22 -6.664 -12.702 7.454 1.00 44.05 H new ATOM 0 HG13 VAL A 22 -5.699 -12.633 5.959 1.00 44.05 H new ATOM 0 HG21 VAL A 22 -3.666 -14.740 6.891 1.00 31.32 H new ATOM 0 HG22 VAL A 22 -3.155 -13.227 6.106 1.00 31.32 H new ATOM 0 HG23 VAL A 22 -2.492 -13.672 7.696 1.00 31.32 H new ATOM 352 N LEU A 23 -6.354 -10.403 8.282 1.00 3.00 N ATOM 353 CA LEU A 23 -7.441 -9.667 8.896 1.00 1.12 C ATOM 354 C LEU A 23 -8.488 -10.673 9.280 1.00 64.22 C ATOM 355 O LEU A 23 -8.389 -11.863 8.958 1.00 30.22 O ATOM 356 CB LEU A 23 -8.118 -8.530 8.071 1.00 30.12 C ATOM 357 CG LEU A 23 -7.099 -7.457 7.694 1.00 1.23 C ATOM 358 CD1 LEU A 23 -6.311 -7.930 6.480 1.00 43.43 C ATOM 359 CD2 LEU A 23 -7.756 -6.134 7.461 1.00 5.11 C ATOM 0 H LEU A 23 -6.514 -10.606 7.295 1.00 3.00 H new ATOM 0 HA LEU A 23 -6.986 -9.131 9.729 1.00 1.12 H new ATOM 0 HB2 LEU A 23 -8.566 -8.946 7.169 1.00 30.12 H new ATOM 0 HB3 LEU A 23 -8.925 -8.084 8.652 1.00 30.12 H new ATOM 0 HG LEU A 23 -6.407 -7.306 8.523 1.00 1.23 H new ATOM 0 HD11 LEU A 23 -5.580 -7.171 6.202 1.00 43.43 H new ATOM 0 HD12 LEU A 23 -5.795 -8.859 6.721 1.00 43.43 H new ATOM 0 HD13 LEU A 23 -6.993 -8.099 5.647 1.00 43.43 H new ATOM 0 HD21 LEU A 23 -7.001 -5.395 7.195 1.00 5.11 H new ATOM 0 HD22 LEU A 23 -8.478 -6.224 6.649 1.00 5.11 H new ATOM 0 HD23 LEU A 23 -8.269 -5.818 8.369 1.00 5.11 H new ATOM 371 N GLN A 24 -9.541 -10.141 9.867 1.00 12.40 N ATOM 372 CA GLN A 24 -10.781 -10.820 10.077 1.00 50.31 C ATOM 373 C GLN A 24 -11.878 -10.356 9.105 1.00 1.22 C ATOM 374 O GLN A 24 -11.596 -9.553 8.214 1.00 23.54 O ATOM 375 CB GLN A 24 -11.110 -10.737 11.554 1.00 1.32 C ATOM 376 CG GLN A 24 -11.477 -9.369 12.113 1.00 44.44 C ATOM 377 CD GLN A 24 -12.482 -9.469 13.267 1.00 74.23 C ATOM 378 OE1 GLN A 24 -12.193 -9.962 14.351 1.00 54.24 O ATOM 379 NE2 GLN A 24 -13.724 -9.066 13.050 1.00 23.53 N ATOM 0 H GLN A 24 -9.545 -9.184 10.221 1.00 12.40 H new ATOM 0 HA GLN A 24 -10.701 -11.878 9.828 1.00 50.31 H new ATOM 0 HB2 GLN A 24 -11.939 -11.416 11.753 1.00 1.32 H new ATOM 0 HB3 GLN A 24 -10.251 -11.110 12.112 1.00 1.32 H new ATOM 0 HG2 GLN A 24 -10.575 -8.866 12.461 1.00 44.44 H new ATOM 0 HG3 GLN A 24 -11.898 -8.754 11.318 1.00 44.44 H new ATOM 0 HE21 GLN A 24 -13.977 -8.654 12.152 1.00 23.53 H new ATOM 0 HE22 GLN A 24 -14.428 -9.167 13.781 1.00 23.53 H new ATOM 388 N ASP A 25 -13.108 -10.856 9.302 1.00 62.11 N ATOM 389 CA ASP A 25 -14.349 -10.472 8.606 1.00 14.31 C ATOM 390 C ASP A 25 -14.323 -10.793 7.114 1.00 42.35 C ATOM 391 O ASP A 25 -15.101 -10.245 6.342 1.00 10.14 O ATOM 392 CB ASP A 25 -14.628 -8.992 8.854 1.00 21.31 C ATOM 393 CG ASP A 25 -16.096 -8.576 8.687 1.00 4.34 C ATOM 394 OD1 ASP A 25 -16.975 -9.246 9.274 1.00 41.22 O ATOM 395 OD2 ASP A 25 -16.345 -7.417 8.271 1.00 3.31 O ATOM 0 H ASP A 25 -13.274 -11.586 9.995 1.00 62.11 H new ATOM 0 HA ASP A 25 -15.161 -11.071 9.018 1.00 14.31 H new ATOM 0 HB2 ASP A 25 -14.307 -8.741 9.865 1.00 21.31 H new ATOM 0 HB3 ASP A 25 -14.018 -8.402 8.170 1.00 21.31 H new ATOM 400 N ASP A 26 -13.391 -11.662 6.713 1.00 42.24 N ATOM 401 CA ASP A 26 -13.105 -12.064 5.333 1.00 10.30 C ATOM 402 C ASP A 26 -12.663 -10.888 4.455 1.00 10.33 C ATOM 403 O ASP A 26 -12.653 -10.985 3.222 1.00 5.23 O ATOM 404 CB ASP A 26 -14.269 -12.875 4.736 1.00 30.41 C ATOM 405 CG ASP A 26 -14.374 -14.256 5.364 1.00 51.43 C ATOM 406 OD1 ASP A 26 -13.334 -14.966 5.394 1.00 22.23 O ATOM 407 OD2 ASP A 26 -15.469 -14.688 5.753 1.00 71.31 O ATOM 0 H ASP A 26 -12.780 -12.131 7.382 1.00 42.24 H new ATOM 0 HA ASP A 26 -12.244 -12.732 5.358 1.00 10.30 H new ATOM 0 HB2 ASP A 26 -15.204 -12.335 4.887 1.00 30.41 H new ATOM 0 HB3 ASP A 26 -14.129 -12.975 3.660 1.00 30.41 H new ATOM 412 N PHE A 27 -12.247 -9.781 5.080 1.00 61.44 N ATOM 413 CA PHE A 27 -11.672 -8.640 4.400 1.00 71.55 C ATOM 414 C PHE A 27 -10.320 -9.080 3.867 1.00 41.44 C ATOM 415 O PHE A 27 -9.406 -9.411 4.631 1.00 62.23 O ATOM 416 CB PHE A 27 -11.549 -7.425 5.334 1.00 21.24 C ATOM 417 CG PHE A 27 -12.798 -6.564 5.427 1.00 1.11 C ATOM 418 CD1 PHE A 27 -14.083 -7.138 5.366 1.00 22.32 C ATOM 419 CD2 PHE A 27 -12.679 -5.170 5.589 1.00 72.34 C ATOM 420 CE1 PHE A 27 -15.228 -6.339 5.447 1.00 41.12 C ATOM 421 CE2 PHE A 27 -13.829 -4.363 5.643 1.00 30.50 C ATOM 422 CZ PHE A 27 -15.103 -4.949 5.570 1.00 2.21 C ATOM 0 H PHE A 27 -12.306 -9.662 6.091 1.00 61.44 H new ATOM 0 HA PHE A 27 -12.317 -8.316 3.583 1.00 71.55 H new ATOM 0 HB2 PHE A 27 -11.292 -7.777 6.333 1.00 21.24 H new ATOM 0 HB3 PHE A 27 -10.721 -6.804 4.992 1.00 21.24 H new ATOM 0 HD1 PHE A 27 -14.185 -8.207 5.255 1.00 22.32 H new ATOM 0 HD2 PHE A 27 -11.701 -4.719 5.672 1.00 72.34 H new ATOM 0 HE1 PHE A 27 -16.207 -6.793 5.415 1.00 41.12 H new ATOM 0 HE2 PHE A 27 -13.732 -3.292 5.741 1.00 30.50 H new ATOM 0 HZ PHE A 27 -15.986 -4.328 5.609 1.00 2.21 H new ATOM 432 N VAL A 28 -10.199 -9.065 2.548 1.00 61.54 N ATOM 433 CA VAL A 28 -8.928 -9.137 1.851 1.00 23.10 C ATOM 434 C VAL A 28 -8.706 -7.789 1.165 1.00 11.23 C ATOM 435 O VAL A 28 -9.633 -6.985 1.012 1.00 25.52 O ATOM 436 CB VAL A 28 -8.871 -10.357 0.905 1.00 21.41 C ATOM 437 CG1 VAL A 28 -9.098 -11.667 1.678 1.00 30.34 C ATOM 438 CG2 VAL A 28 -9.857 -10.283 -0.268 1.00 41.21 C ATOM 0 H VAL A 28 -11.001 -9.001 1.921 1.00 61.54 H new ATOM 0 HA VAL A 28 -8.102 -9.306 2.542 1.00 23.10 H new ATOM 0 HB VAL A 28 -7.867 -10.340 0.480 1.00 21.41 H new ATOM 0 HG11 VAL A 28 -9.053 -12.509 0.988 1.00 30.34 H new ATOM 0 HG12 VAL A 28 -8.325 -11.779 2.439 1.00 30.34 H new ATOM 0 HG13 VAL A 28 -10.077 -11.642 2.156 1.00 30.34 H new ATOM 0 HG21 VAL A 28 -9.756 -11.176 -0.885 1.00 41.21 H new ATOM 0 HG22 VAL A 28 -10.875 -10.221 0.116 1.00 41.21 H new ATOM 0 HG23 VAL A 28 -9.642 -9.400 -0.869 1.00 41.21 H new ATOM 448 N THR A 29 -7.463 -7.495 0.799 1.00 4.23 N ATOM 449 CA THR A 29 -7.077 -6.299 0.063 1.00 73.24 C ATOM 450 C THR A 29 -5.752 -6.587 -0.638 1.00 54.33 C ATOM 451 O THR A 29 -4.897 -7.280 -0.075 1.00 24.14 O ATOM 452 CB THR A 29 -6.924 -5.120 1.042 1.00 10.13 C ATOM 453 OG1 THR A 29 -8.121 -4.903 1.745 1.00 45.34 O ATOM 454 CG2 THR A 29 -6.535 -3.814 0.375 1.00 1.12 C ATOM 0 H THR A 29 -6.672 -8.102 1.014 1.00 4.23 H new ATOM 0 HA THR A 29 -7.836 -6.035 -0.674 1.00 73.24 H new ATOM 0 HB THR A 29 -6.115 -5.411 1.712 1.00 10.13 H new ATOM 0 HG1 THR A 29 -8.842 -5.421 1.330 1.00 45.34 H new ATOM 0 HG21 THR A 29 -6.447 -3.032 1.129 1.00 1.12 H new ATOM 0 HG22 THR A 29 -5.579 -3.936 -0.134 1.00 1.12 H new ATOM 0 HG23 THR A 29 -7.299 -3.534 -0.350 1.00 1.12 H new ATOM 462 N CYS A 30 -5.562 -6.008 -1.820 1.00 31.24 N ATOM 463 CA CYS A 30 -4.309 -5.898 -2.529 1.00 45.33 C ATOM 464 C CYS A 30 -4.113 -4.504 -3.121 1.00 22.30 C ATOM 465 O CYS A 30 -4.945 -4.037 -3.893 1.00 21.43 O ATOM 466 CB CYS A 30 -4.219 -6.984 -3.586 1.00 53.35 C ATOM 467 SG CYS A 30 -5.780 -7.259 -4.480 1.00 44.01 S ATOM 0 H CYS A 30 -6.332 -5.579 -2.333 1.00 31.24 H new ATOM 0 HA CYS A 30 -3.495 -6.043 -1.819 1.00 45.33 H new ATOM 0 HB2 CYS A 30 -3.441 -6.719 -4.302 1.00 53.35 H new ATOM 0 HB3 CYS A 30 -3.912 -7.916 -3.112 1.00 53.35 H new ATOM 0 HG CYS A 30 -5.796 -8.465 -4.964 1.00 44.01 H new ATOM 473 N TYR A 31 -3.035 -3.820 -2.727 1.00 25.32 N ATOM 474 CA TYR A 31 -2.655 -2.526 -3.277 1.00 24.43 C ATOM 475 C TYR A 31 -1.712 -2.759 -4.461 1.00 65.25 C ATOM 476 O TYR A 31 -0.512 -2.994 -4.287 1.00 3.13 O ATOM 477 CB TYR A 31 -2.038 -1.611 -2.206 1.00 45.31 C ATOM 478 CG TYR A 31 -2.892 -1.247 -0.998 1.00 41.11 C ATOM 479 CD1 TYR A 31 -3.759 -0.145 -1.023 1.00 64.45 C ATOM 480 CD2 TYR A 31 -2.742 -1.942 0.214 1.00 10.30 C ATOM 481 CE1 TYR A 31 -4.573 0.187 0.081 1.00 21.33 C ATOM 482 CE2 TYR A 31 -3.608 -1.692 1.299 1.00 41.22 C ATOM 483 CZ TYR A 31 -4.499 -0.600 1.246 1.00 13.23 C ATOM 484 OH TYR A 31 -5.235 -0.313 2.343 1.00 61.12 O ATOM 0 H TYR A 31 -2.397 -4.158 -2.007 1.00 25.32 H new ATOM 0 HA TYR A 31 -3.543 -2.002 -3.631 1.00 24.43 H new ATOM 0 HB2 TYR A 31 -1.130 -2.090 -1.841 1.00 45.31 H new ATOM 0 HB3 TYR A 31 -1.736 -0.684 -2.693 1.00 45.31 H new ATOM 0 HD1 TYR A 31 -3.805 0.467 -1.912 1.00 64.45 H new ATOM 0 HD2 TYR A 31 -1.956 -2.675 0.316 1.00 10.30 H new ATOM 0 HE1 TYR A 31 -5.243 1.033 0.033 1.00 21.33 H new ATOM 0 HE2 TYR A 31 -3.589 -2.334 2.167 1.00 41.22 H new ATOM 0 HH TYR A 31 -5.047 -0.971 3.044 1.00 61.12 H new ATOM 494 N THR A 32 -2.251 -2.741 -5.674 1.00 30.10 N ATOM 495 CA THR A 32 -1.489 -2.795 -6.912 1.00 65.14 C ATOM 496 C THR A 32 -0.883 -1.425 -7.215 1.00 53.23 C ATOM 497 O THR A 32 -1.597 -0.531 -7.691 1.00 71.53 O ATOM 498 CB THR A 32 -2.399 -3.257 -8.064 1.00 30.21 C ATOM 499 OG1 THR A 32 -3.209 -4.317 -7.617 1.00 13.41 O ATOM 500 CG2 THR A 32 -1.503 -3.756 -9.195 1.00 51.33 C ATOM 0 H THR A 32 -3.258 -2.687 -5.826 1.00 30.10 H new ATOM 0 HA THR A 32 -0.675 -3.512 -6.804 1.00 65.14 H new ATOM 0 HB THR A 32 -3.032 -2.438 -8.406 1.00 30.21 H new ATOM 0 HG1 THR A 32 -3.792 -4.614 -8.347 1.00 13.41 H new ATOM 0 HG21 THR A 32 -2.121 -4.091 -10.028 1.00 51.33 H new ATOM 0 HG22 THR A 32 -0.853 -2.947 -9.528 1.00 51.33 H new ATOM 0 HG23 THR A 32 -0.894 -4.587 -8.838 1.00 51.33 H new ATOM 508 N PHE A 33 0.395 -1.191 -6.903 1.00 30.22 N ATOM 509 CA PHE A 33 1.000 0.064 -7.340 1.00 41.23 C ATOM 510 C PHE A 33 1.340 -0.045 -8.830 1.00 72.54 C ATOM 511 O PHE A 33 1.417 -1.136 -9.395 1.00 33.42 O ATOM 512 CB PHE A 33 2.159 0.549 -6.460 1.00 10.22 C ATOM 513 CG PHE A 33 1.764 0.675 -5.002 1.00 23.50 C ATOM 514 CD1 PHE A 33 1.615 -0.483 -4.222 1.00 70.12 C ATOM 515 CD2 PHE A 33 1.471 1.934 -4.441 1.00 70.15 C ATOM 516 CE1 PHE A 33 1.068 -0.404 -2.936 1.00 12.33 C ATOM 517 CE2 PHE A 33 0.970 2.018 -3.129 1.00 53.23 C ATOM 518 CZ PHE A 33 0.714 0.845 -2.398 1.00 41.33 C ATOM 0 H PHE A 33 1.002 -1.819 -6.377 1.00 30.22 H new ATOM 0 HA PHE A 33 0.269 0.862 -7.211 1.00 41.23 H new ATOM 0 HB2 PHE A 33 2.994 -0.146 -6.549 1.00 10.22 H new ATOM 0 HB3 PHE A 33 2.508 1.515 -6.824 1.00 10.22 H new ATOM 0 HD1 PHE A 33 1.924 -1.440 -4.616 1.00 70.12 H new ATOM 0 HD2 PHE A 33 1.631 2.833 -5.017 1.00 70.15 H new ATOM 0 HE1 PHE A 33 0.918 -1.303 -2.357 1.00 12.33 H new ATOM 0 HE2 PHE A 33 0.782 2.984 -2.684 1.00 53.23 H new ATOM 0 HZ PHE A 33 0.247 0.903 -1.426 1.00 41.33 H new ATOM 528 N ASN A 34 1.449 1.087 -9.507 1.00 44.35 N ATOM 529 CA ASN A 34 1.826 1.210 -10.912 1.00 11.42 C ATOM 530 C ASN A 34 3.094 2.062 -10.979 1.00 11.20 C ATOM 531 O ASN A 34 3.557 2.550 -9.951 1.00 3.24 O ATOM 532 CB ASN A 34 0.698 1.854 -11.734 1.00 72.33 C ATOM 533 CG ASN A 34 -0.521 0.966 -11.988 1.00 72.03 C ATOM 534 OD1 ASN A 34 -1.098 1.035 -13.065 1.00 22.42 O ATOM 535 ND2 ASN A 34 -0.973 0.142 -11.055 1.00 65.12 N ATOM 0 H ASN A 34 1.269 1.992 -9.072 1.00 44.35 H new ATOM 0 HA ASN A 34 2.006 0.223 -11.337 1.00 11.42 H new ATOM 0 HB2 ASN A 34 0.367 2.757 -11.220 1.00 72.33 H new ATOM 0 HB3 ASN A 34 1.105 2.166 -12.696 1.00 72.33 H new ATOM 0 HD21 ASN A 34 -1.798 -0.430 -11.236 1.00 65.12 H new ATOM 0 HD22 ASN A 34 -0.497 0.080 -10.155 1.00 65.12 H new ATOM 542 N ALA A 35 3.663 2.236 -12.173 1.00 25.43 N ATOM 543 CA ALA A 35 4.874 3.023 -12.380 1.00 64.22 C ATOM 544 C ALA A 35 4.676 4.476 -11.958 1.00 70.40 C ATOM 545 O ALA A 35 5.591 5.052 -11.375 1.00 2.44 O ATOM 546 CB ALA A 35 5.357 2.936 -13.833 1.00 13.11 C ATOM 0 H ALA A 35 3.290 1.829 -13.031 1.00 25.43 H new ATOM 0 HA ALA A 35 5.649 2.595 -11.744 1.00 64.22 H new ATOM 0 HB1 ALA A 35 6.261 3.534 -13.952 1.00 13.11 H new ATOM 0 HB2 ALA A 35 5.573 1.897 -14.083 1.00 13.11 H new ATOM 0 HB3 ALA A 35 4.581 3.315 -14.498 1.00 13.11 H new ATOM 552 N ASP A 36 3.530 5.075 -12.296 1.00 70.34 N ATOM 553 CA ASP A 36 3.147 6.412 -11.818 1.00 34.25 C ATOM 554 C ASP A 36 1.664 6.726 -12.055 1.00 52.53 C ATOM 555 O ASP A 36 1.157 7.754 -11.599 1.00 65.21 O ATOM 556 CB ASP A 36 3.999 7.501 -12.497 1.00 50.32 C ATOM 557 CG ASP A 36 4.574 8.481 -11.477 1.00 72.32 C ATOM 558 OD1 ASP A 36 3.958 9.533 -11.208 1.00 5.32 O ATOM 559 OD2 ASP A 36 5.738 8.284 -11.063 1.00 44.43 O ATOM 0 H ASP A 36 2.838 4.647 -12.911 1.00 70.34 H new ATOM 0 HA ASP A 36 3.326 6.409 -10.743 1.00 34.25 H new ATOM 0 HB2 ASP A 36 4.812 7.034 -13.053 1.00 50.32 H new ATOM 0 HB3 ASP A 36 3.389 8.043 -13.220 1.00 50.32 H new ATOM 564 N LYS A 37 0.951 5.893 -12.826 1.00 53.30 N ATOM 565 CA LYS A 37 -0.278 6.299 -13.475 1.00 54.53 C ATOM 566 C LYS A 37 -1.395 6.419 -12.453 1.00 30.05 C ATOM 567 O LYS A 37 -1.852 7.527 -12.183 1.00 34.43 O ATOM 568 CB LYS A 37 -0.579 5.320 -14.630 1.00 72.40 C ATOM 569 CG LYS A 37 -1.835 5.626 -15.458 1.00 14.11 C ATOM 570 CD LYS A 37 -1.865 7.092 -15.895 1.00 41.12 C ATOM 571 CE LYS A 37 -3.070 7.425 -16.772 1.00 64.02 C ATOM 572 NZ LYS A 37 -3.196 8.890 -16.906 1.00 61.23 N ATOM 0 H LYS A 37 1.218 4.926 -13.009 1.00 53.30 H new ATOM 0 HA LYS A 37 -0.181 7.290 -13.918 1.00 54.53 H new ATOM 0 HB2 LYS A 37 0.280 5.305 -15.301 1.00 72.40 H new ATOM 0 HB3 LYS A 37 -0.677 4.317 -14.214 1.00 72.40 H new ATOM 0 HG2 LYS A 37 -1.861 4.981 -16.336 1.00 14.11 H new ATOM 0 HG3 LYS A 37 -2.725 5.400 -14.871 1.00 14.11 H new ATOM 0 HD2 LYS A 37 -1.878 7.729 -15.011 1.00 41.12 H new ATOM 0 HD3 LYS A 37 -0.950 7.322 -16.441 1.00 41.12 H new ATOM 0 HE2 LYS A 37 -2.954 6.969 -17.755 1.00 64.02 H new ATOM 0 HE3 LYS A 37 -3.978 7.011 -16.333 1.00 64.02 H new ATOM 0 HZ1 LYS A 37 -4.017 9.115 -17.504 1.00 61.23 H new ATOM 0 HZ2 LYS A 37 -3.326 9.315 -15.966 1.00 61.23 H new ATOM 0 HZ3 LYS A 37 -2.334 9.274 -17.343 1.00 61.23 H new ATOM 586 N THR A 38 -1.839 5.291 -11.919 1.00 51.13 N ATOM 587 CA THR A 38 -3.014 5.151 -11.081 1.00 4.54 C ATOM 588 C THR A 38 -2.776 3.953 -10.162 1.00 44.21 C ATOM 589 O THR A 38 -1.835 3.190 -10.396 1.00 70.02 O ATOM 590 CB THR A 38 -4.256 4.951 -11.971 1.00 42.21 C ATOM 591 OG1 THR A 38 -4.004 3.944 -12.941 1.00 13.25 O ATOM 592 CG2 THR A 38 -4.625 6.249 -12.696 1.00 11.13 C ATOM 0 H THR A 38 -1.361 4.402 -12.069 1.00 51.13 H new ATOM 0 HA THR A 38 -3.188 6.041 -10.477 1.00 4.54 H new ATOM 0 HB THR A 38 -5.083 4.652 -11.327 1.00 42.21 H new ATOM 0 HG1 THR A 38 -4.799 3.823 -13.501 1.00 13.25 H new ATOM 0 HG21 THR A 38 -5.505 6.081 -13.317 1.00 11.13 H new ATOM 0 HG22 THR A 38 -4.841 7.026 -11.963 1.00 11.13 H new ATOM 0 HG23 THR A 38 -3.792 6.564 -13.324 1.00 11.13 H new ATOM 600 N TYR A 39 -3.584 3.755 -9.120 1.00 4.41 N ATOM 601 CA TYR A 39 -3.509 2.586 -8.239 1.00 54.03 C ATOM 602 C TYR A 39 -4.819 1.802 -8.353 1.00 53.03 C ATOM 603 O TYR A 39 -5.694 2.225 -9.106 1.00 51.43 O ATOM 604 CB TYR A 39 -3.062 3.008 -6.827 1.00 54.03 C ATOM 605 CG TYR A 39 -4.067 3.645 -5.890 1.00 33.31 C ATOM 606 CD1 TYR A 39 -4.354 5.001 -6.045 1.00 12.34 C ATOM 607 CD2 TYR A 39 -4.650 2.982 -4.794 1.00 24.13 C ATOM 608 CE1 TYR A 39 -5.231 5.651 -5.181 1.00 61.51 C ATOM 609 CE2 TYR A 39 -5.566 3.605 -3.918 1.00 24.55 C ATOM 610 CZ TYR A 39 -5.881 4.956 -4.145 1.00 54.41 C ATOM 611 OH TYR A 39 -6.813 5.545 -3.352 1.00 42.01 O ATOM 0 H TYR A 39 -4.320 4.411 -8.859 1.00 4.41 H new ATOM 0 HA TYR A 39 -2.734 1.883 -8.542 1.00 54.03 H new ATOM 0 HB2 TYR A 39 -2.667 2.122 -6.330 1.00 54.03 H new ATOM 0 HB3 TYR A 39 -2.233 3.706 -6.941 1.00 54.03 H new ATOM 0 HD1 TYR A 39 -3.889 5.555 -6.847 1.00 12.34 H new ATOM 0 HD2 TYR A 39 -4.385 1.950 -4.615 1.00 24.13 H new ATOM 0 HE1 TYR A 39 -5.416 6.707 -5.308 1.00 61.51 H new ATOM 0 HE2 TYR A 39 -6.011 3.060 -3.099 1.00 24.55 H new ATOM 0 HH TYR A 39 -7.240 6.280 -3.840 1.00 42.01 H new ATOM 621 N GLU A 40 -4.935 0.659 -7.679 1.00 32.10 N ATOM 622 CA GLU A 40 -6.074 -0.237 -7.762 1.00 22.50 C ATOM 623 C GLU A 40 -6.168 -1.083 -6.489 1.00 33.13 C ATOM 624 O GLU A 40 -5.256 -1.870 -6.198 1.00 42.05 O ATOM 625 CB GLU A 40 -5.939 -1.189 -8.956 1.00 31.40 C ATOM 626 CG GLU A 40 -6.489 -0.632 -10.269 1.00 42.12 C ATOM 627 CD GLU A 40 -7.375 -1.679 -10.931 1.00 43.51 C ATOM 628 OE1 GLU A 40 -8.568 -1.808 -10.555 1.00 43.12 O ATOM 629 OE2 GLU A 40 -6.844 -2.465 -11.742 1.00 71.14 O ATOM 0 H GLU A 40 -4.212 0.326 -7.041 1.00 32.10 H new ATOM 0 HA GLU A 40 -6.968 0.375 -7.883 1.00 22.50 H new ATOM 0 HB2 GLU A 40 -4.886 -1.436 -9.092 1.00 31.40 H new ATOM 0 HB3 GLU A 40 -6.457 -2.120 -8.724 1.00 31.40 H new ATOM 0 HG2 GLU A 40 -7.060 0.277 -10.080 1.00 42.12 H new ATOM 0 HG3 GLU A 40 -5.669 -0.361 -10.934 1.00 42.12 H new ATOM 636 N VAL A 41 -7.267 -0.947 -5.718 1.00 10.22 N ATOM 637 CA VAL A 41 -7.383 -1.609 -4.399 1.00 52.42 C ATOM 638 C VAL A 41 -8.888 -1.876 -4.138 1.00 51.03 C ATOM 639 O VAL A 41 -9.765 -1.597 -4.967 1.00 70.42 O ATOM 640 CB VAL A 41 -6.725 -0.798 -3.244 1.00 65.51 C ATOM 641 CG1 VAL A 41 -6.281 -1.754 -2.152 1.00 63.31 C ATOM 642 CG2 VAL A 41 -5.687 0.178 -3.661 1.00 2.42 C ATOM 0 H VAL A 41 -8.080 -0.391 -5.981 1.00 10.22 H new ATOM 0 HA VAL A 41 -6.829 -2.548 -4.421 1.00 52.42 H new ATOM 0 HB VAL A 41 -7.489 -0.136 -2.837 1.00 65.51 H new ATOM 0 HG11 VAL A 41 -5.820 -1.191 -1.341 1.00 63.31 H new ATOM 0 HG12 VAL A 41 -7.145 -2.297 -1.771 1.00 63.31 H new ATOM 0 HG13 VAL A 41 -5.559 -2.461 -2.559 1.00 63.31 H new ATOM 0 HG21 VAL A 41 -5.294 0.689 -2.782 1.00 2.42 H new ATOM 0 HG22 VAL A 41 -4.878 -0.346 -4.169 1.00 2.42 H new ATOM 0 HG23 VAL A 41 -6.127 0.910 -4.339 1.00 2.42 H new ATOM 652 N TYR A 42 -9.214 -2.442 -2.972 1.00 11.11 N ATOM 653 CA TYR A 42 -10.537 -2.889 -2.548 1.00 14.01 C ATOM 654 C TYR A 42 -10.411 -3.388 -1.109 1.00 42.42 C ATOM 655 O TYR A 42 -9.464 -4.121 -0.844 1.00 61.24 O ATOM 656 CB TYR A 42 -11.008 -3.978 -3.526 1.00 10.30 C ATOM 657 CG TYR A 42 -11.994 -4.959 -2.965 1.00 12.04 C ATOM 658 CD1 TYR A 42 -11.538 -5.964 -2.092 1.00 10.43 C ATOM 659 CD2 TYR A 42 -13.347 -4.869 -3.317 1.00 34.24 C ATOM 660 CE1 TYR A 42 -12.464 -6.833 -1.503 1.00 61.14 C ATOM 661 CE2 TYR A 42 -14.273 -5.776 -2.772 1.00 65.11 C ATOM 662 CZ TYR A 42 -13.838 -6.733 -1.814 1.00 5.40 C ATOM 663 OH TYR A 42 -14.715 -7.536 -1.157 1.00 14.00 O ATOM 0 H TYR A 42 -8.510 -2.610 -2.253 1.00 11.11 H new ATOM 0 HA TYR A 42 -11.282 -2.094 -2.564 1.00 14.01 H new ATOM 0 HB2 TYR A 42 -11.455 -3.495 -4.395 1.00 10.30 H new ATOM 0 HB3 TYR A 42 -10.136 -4.527 -3.881 1.00 10.30 H new ATOM 0 HD1 TYR A 42 -10.484 -6.064 -1.879 1.00 10.43 H new ATOM 0 HD2 TYR A 42 -13.678 -4.105 -4.005 1.00 34.24 H new ATOM 0 HE1 TYR A 42 -12.125 -7.585 -0.806 1.00 61.14 H new ATOM 0 HE2 TYR A 42 -15.308 -5.746 -3.079 1.00 65.11 H new ATOM 0 HH TYR A 42 -15.382 -7.878 -1.789 1.00 14.00 H new ATOM 673 N THR A 43 -11.344 -3.070 -0.212 1.00 3.32 N ATOM 674 CA THR A 43 -11.370 -3.649 1.129 1.00 62.22 C ATOM 675 C THR A 43 -12.820 -3.826 1.593 1.00 32.42 C ATOM 676 O THR A 43 -13.478 -2.851 1.969 1.00 3.12 O ATOM 677 CB THR A 43 -10.570 -2.777 2.118 1.00 52.14 C ATOM 678 OG1 THR A 43 -9.308 -2.363 1.618 1.00 64.41 O ATOM 679 CG2 THR A 43 -10.386 -3.502 3.457 1.00 52.25 C ATOM 0 H THR A 43 -12.098 -2.408 -0.394 1.00 3.32 H new ATOM 0 HA THR A 43 -10.895 -4.630 1.099 1.00 62.22 H new ATOM 0 HB THR A 43 -11.163 -1.874 2.264 1.00 52.14 H new ATOM 0 HG1 THR A 43 -8.689 -3.123 1.622 1.00 64.41 H new ATOM 0 HG21 THR A 43 -9.819 -2.868 4.139 1.00 52.25 H new ATOM 0 HG22 THR A 43 -11.362 -3.719 3.890 1.00 52.25 H new ATOM 0 HG23 THR A 43 -9.846 -4.435 3.295 1.00 52.25 H new ATOM 687 N GLY A 44 -13.315 -5.064 1.587 1.00 2.30 N ATOM 688 CA GLY A 44 -14.700 -5.365 1.921 1.00 2.41 C ATOM 689 C GLY A 44 -15.673 -4.902 0.832 1.00 62.35 C ATOM 690 O GLY A 44 -15.285 -4.197 -0.105 1.00 33.43 O ATOM 0 H GLY A 44 -12.761 -5.887 1.349 1.00 2.30 H new ATOM 0 HA2 GLY A 44 -14.810 -6.439 2.071 1.00 2.41 H new ATOM 0 HA3 GLY A 44 -14.957 -4.883 2.864 1.00 2.41 H new ATOM 694 N SER A 45 -16.943 -5.287 0.971 1.00 22.21 N ATOM 695 CA SER A 45 -17.998 -5.177 -0.027 1.00 42.43 C ATOM 696 C SER A 45 -19.274 -5.843 0.488 1.00 74.55 C ATOM 697 O SER A 45 -19.439 -7.048 0.269 1.00 34.12 O ATOM 698 CB SER A 45 -17.541 -5.806 -1.341 1.00 5.30 C ATOM 699 OG SER A 45 -18.569 -5.944 -2.291 1.00 3.32 O ATOM 0 H SER A 45 -17.278 -5.709 1.837 1.00 22.21 H new ATOM 0 HA SER A 45 -18.213 -4.124 -0.211 1.00 42.43 H new ATOM 0 HB2 SER A 45 -16.744 -5.196 -1.767 1.00 5.30 H new ATOM 0 HB3 SER A 45 -17.115 -6.788 -1.135 1.00 5.30 H new ATOM 0 HG SER A 45 -18.319 -6.628 -2.946 1.00 3.32 H new ATOM 705 N PRO A 46 -20.131 -5.145 1.239 1.00 12.10 N ATOM 706 CA PRO A 46 -21.411 -5.684 1.657 1.00 31.54 C ATOM 707 C PRO A 46 -22.472 -5.653 0.551 1.00 52.12 C ATOM 708 O PRO A 46 -23.522 -6.267 0.725 1.00 31.13 O ATOM 709 CB PRO A 46 -21.819 -4.811 2.835 1.00 21.10 C ATOM 710 CG PRO A 46 -21.171 -3.455 2.564 1.00 64.45 C ATOM 711 CD PRO A 46 -19.946 -3.790 1.721 1.00 50.11 C ATOM 0 HA PRO A 46 -21.326 -6.740 1.915 1.00 31.54 H new ATOM 0 HB2 PRO A 46 -22.903 -4.724 2.905 1.00 21.10 H new ATOM 0 HB3 PRO A 46 -21.472 -5.233 3.778 1.00 21.10 H new ATOM 0 HG2 PRO A 46 -21.850 -2.788 2.033 1.00 64.45 H new ATOM 0 HG3 PRO A 46 -20.892 -2.954 3.491 1.00 64.45 H new ATOM 0 HD2 PRO A 46 -19.846 -3.093 0.889 1.00 50.11 H new ATOM 0 HD3 PRO A 46 -19.035 -3.711 2.314 1.00 50.11 H new ATOM 719 N LEU A 47 -22.258 -4.927 -0.558 1.00 4.12 N ATOM 720 CA LEU A 47 -23.207 -4.882 -1.655 1.00 52.31 C ATOM 721 C LEU A 47 -22.757 -5.901 -2.684 1.00 51.23 C ATOM 722 O LEU A 47 -23.317 -6.992 -2.766 1.00 1.12 O ATOM 723 CB LEU A 47 -23.311 -3.466 -2.249 1.00 70.11 C ATOM 724 CG LEU A 47 -24.197 -2.538 -1.418 1.00 54.31 C ATOM 725 CD1 LEU A 47 -23.595 -2.075 -0.089 1.00 31.53 C ATOM 726 CD2 LEU A 47 -24.544 -1.306 -2.259 1.00 14.00 C ATOM 0 H LEU A 47 -21.423 -4.361 -0.708 1.00 4.12 H new ATOM 0 HA LEU A 47 -24.209 -5.128 -1.305 1.00 52.31 H new ATOM 0 HB2 LEU A 47 -22.313 -3.035 -2.326 1.00 70.11 H new ATOM 0 HB3 LEU A 47 -23.709 -3.530 -3.262 1.00 70.11 H new ATOM 0 HG LEU A 47 -25.076 -3.126 -1.154 1.00 54.31 H new ATOM 0 HD11 LEU A 47 -24.302 -1.422 0.423 1.00 31.53 H new ATOM 0 HD12 LEU A 47 -23.384 -2.942 0.537 1.00 31.53 H new ATOM 0 HD13 LEU A 47 -22.670 -1.531 -0.279 1.00 31.53 H new ATOM 0 HD21 LEU A 47 -25.176 -0.635 -1.678 1.00 14.00 H new ATOM 0 HD22 LEU A 47 -23.627 -0.788 -2.541 1.00 14.00 H new ATOM 0 HD23 LEU A 47 -25.076 -1.617 -3.158 1.00 14.00 H new ATOM 738 N SER A 48 -21.768 -5.559 -3.499 1.00 50.24 N ATOM 739 CA SER A 48 -21.261 -6.409 -4.565 1.00 72.31 C ATOM 740 C SER A 48 -19.895 -5.875 -4.978 1.00 41.32 C ATOM 741 O SER A 48 -19.627 -4.680 -4.837 1.00 12.20 O ATOM 742 CB SER A 48 -22.237 -6.453 -5.760 1.00 45.32 C ATOM 743 OG SER A 48 -23.247 -5.452 -5.751 1.00 70.22 O ATOM 0 H SER A 48 -21.286 -4.662 -3.435 1.00 50.24 H new ATOM 0 HA SER A 48 -21.165 -7.436 -4.211 1.00 72.31 H new ATOM 0 HB2 SER A 48 -21.663 -6.360 -6.682 1.00 45.32 H new ATOM 0 HB3 SER A 48 -22.717 -7.431 -5.781 1.00 45.32 H new ATOM 0 HG SER A 48 -23.816 -5.554 -6.542 1.00 70.22 H new ATOM 749 N ASN A 49 -19.020 -6.760 -5.449 1.00 45.24 N ATOM 750 CA ASN A 49 -17.653 -6.487 -5.875 1.00 41.24 C ATOM 751 C ASN A 49 -17.708 -5.701 -7.184 1.00 24.33 C ATOM 752 O ASN A 49 -17.589 -6.259 -8.278 1.00 3.33 O ATOM 753 CB ASN A 49 -16.868 -7.801 -6.038 1.00 33.12 C ATOM 754 CG ASN A 49 -16.675 -8.559 -4.729 1.00 74.45 C ATOM 755 OD1 ASN A 49 -16.578 -7.972 -3.663 1.00 71.13 O ATOM 756 ND2 ASN A 49 -16.557 -9.877 -4.772 1.00 5.24 N ATOM 0 H ASN A 49 -19.263 -7.746 -5.549 1.00 45.24 H new ATOM 0 HA ASN A 49 -17.132 -5.896 -5.122 1.00 41.24 H new ATOM 0 HB2 ASN A 49 -17.392 -8.443 -6.747 1.00 33.12 H new ATOM 0 HB3 ASN A 49 -15.891 -7.581 -6.469 1.00 33.12 H new ATOM 0 HD21 ASN A 49 -16.385 -10.402 -3.914 1.00 5.24 H new ATOM 0 HD22 ASN A 49 -16.638 -10.368 -5.663 1.00 5.24 H new ATOM 763 N GLY A 50 -17.927 -4.396 -7.076 1.00 41.02 N ATOM 764 CA GLY A 50 -18.406 -3.571 -8.182 1.00 33.34 C ATOM 765 C GLY A 50 -17.488 -2.417 -8.516 1.00 72.11 C ATOM 766 O GLY A 50 -17.217 -2.141 -9.686 1.00 10.41 O ATOM 0 H GLY A 50 -17.776 -3.875 -6.212 1.00 41.02 H new ATOM 0 HA2 GLY A 50 -18.526 -4.197 -9.066 1.00 33.34 H new ATOM 0 HA3 GLY A 50 -19.392 -3.180 -7.932 1.00 33.34 H new ATOM 770 N VAL A 51 -17.018 -1.723 -7.491 1.00 30.33 N ATOM 771 CA VAL A 51 -16.305 -0.462 -7.582 1.00 11.13 C ATOM 772 C VAL A 51 -15.005 -0.629 -6.797 1.00 4.44 C ATOM 773 O VAL A 51 -14.970 -0.409 -5.579 1.00 54.03 O ATOM 774 CB VAL A 51 -17.197 0.697 -7.099 1.00 71.21 C ATOM 775 CG1 VAL A 51 -16.495 2.056 -7.236 1.00 30.51 C ATOM 776 CG2 VAL A 51 -18.497 0.769 -7.908 1.00 13.30 C ATOM 0 H VAL A 51 -17.130 -2.040 -6.528 1.00 30.33 H new ATOM 0 HA VAL A 51 -16.052 -0.202 -8.610 1.00 11.13 H new ATOM 0 HB VAL A 51 -17.409 0.495 -6.049 1.00 71.21 H new ATOM 0 HG11 VAL A 51 -17.159 2.846 -6.884 1.00 30.51 H new ATOM 0 HG12 VAL A 51 -15.583 2.056 -6.639 1.00 30.51 H new ATOM 0 HG13 VAL A 51 -16.244 2.232 -8.282 1.00 30.51 H new ATOM 0 HG21 VAL A 51 -19.106 1.596 -7.545 1.00 13.30 H new ATOM 0 HG22 VAL A 51 -18.262 0.926 -8.961 1.00 13.30 H new ATOM 0 HG23 VAL A 51 -19.048 -0.165 -7.795 1.00 13.30 H new ATOM 786 N PRO A 52 -13.940 -1.151 -7.421 1.00 64.41 N ATOM 787 CA PRO A 52 -12.627 -1.125 -6.811 1.00 73.45 C ATOM 788 C PRO A 52 -12.108 0.318 -6.846 1.00 65.11 C ATOM 789 O PRO A 52 -12.613 1.177 -7.586 1.00 1.10 O ATOM 790 CB PRO A 52 -11.800 -2.116 -7.613 1.00 31.23 C ATOM 791 CG PRO A 52 -12.385 -2.017 -9.021 1.00 3.31 C ATOM 792 CD PRO A 52 -13.864 -1.691 -8.772 1.00 25.21 C ATOM 0 HA PRO A 52 -12.601 -1.417 -5.761 1.00 73.45 H new ATOM 0 HB2 PRO A 52 -10.741 -1.858 -7.600 1.00 31.23 H new ATOM 0 HB3 PRO A 52 -11.886 -3.126 -7.213 1.00 31.23 H new ATOM 0 HG2 PRO A 52 -11.895 -1.238 -9.605 1.00 3.31 H new ATOM 0 HG3 PRO A 52 -12.267 -2.950 -9.571 1.00 3.31 H new ATOM 0 HD2 PRO A 52 -14.231 -0.969 -9.501 1.00 25.21 H new ATOM 0 HD3 PRO A 52 -14.481 -2.584 -8.869 1.00 25.21 H new ATOM 800 N PHE A 53 -11.104 0.591 -6.023 1.00 13.20 N ATOM 801 CA PHE A 53 -10.380 1.846 -6.050 1.00 50.23 C ATOM 802 C PHE A 53 -9.656 1.948 -7.384 1.00 51.43 C ATOM 803 O PHE A 53 -9.125 0.941 -7.838 1.00 12.34 O ATOM 804 CB PHE A 53 -9.391 1.891 -4.862 1.00 65.24 C ATOM 805 CG PHE A 53 -9.663 2.897 -3.760 1.00 71.22 C ATOM 806 CD1 PHE A 53 -10.524 3.997 -3.947 1.00 63.53 C ATOM 807 CD2 PHE A 53 -9.088 2.687 -2.491 1.00 45.45 C ATOM 808 CE1 PHE A 53 -10.873 4.815 -2.872 1.00 30.53 C ATOM 809 CE2 PHE A 53 -9.436 3.515 -1.412 1.00 32.41 C ATOM 810 CZ PHE A 53 -10.347 4.568 -1.601 1.00 4.33 C ATOM 0 H PHE A 53 -10.770 -0.061 -5.313 1.00 13.20 H new ATOM 0 HA PHE A 53 -11.058 2.694 -5.951 1.00 50.23 H new ATOM 0 HB2 PHE A 53 -9.362 0.899 -4.412 1.00 65.24 H new ATOM 0 HB3 PHE A 53 -8.396 2.090 -5.260 1.00 65.24 H new ATOM 0 HD1 PHE A 53 -10.917 4.208 -4.931 1.00 63.53 H new ATOM 0 HD2 PHE A 53 -8.377 1.887 -2.348 1.00 45.45 H new ATOM 0 HE1 PHE A 53 -11.552 5.642 -3.023 1.00 30.53 H new ATOM 0 HE2 PHE A 53 -9.004 3.343 -0.437 1.00 32.41 H new ATOM 0 HZ PHE A 53 -10.640 5.186 -0.765 1.00 4.33 H new ATOM 820 N ARG A 54 -9.631 3.138 -7.989 1.00 24.11 N ATOM 821 CA ARG A 54 -8.800 3.460 -9.141 1.00 34.23 C ATOM 822 C ARG A 54 -8.545 4.969 -9.188 1.00 51.34 C ATOM 823 O ARG A 54 -9.250 5.727 -9.864 1.00 14.33 O ATOM 824 CB ARG A 54 -9.387 2.895 -10.430 1.00 22.10 C ATOM 825 CG ARG A 54 -10.913 2.992 -10.478 1.00 63.12 C ATOM 826 CD ARG A 54 -11.323 2.964 -11.930 1.00 54.34 C ATOM 827 NE ARG A 54 -12.781 2.917 -12.067 1.00 4.12 N ATOM 828 CZ ARG A 54 -13.439 2.817 -13.221 1.00 53.14 C ATOM 829 NH1 ARG A 54 -12.789 2.850 -14.375 1.00 32.12 N ATOM 830 NH2 ARG A 54 -14.756 2.693 -13.212 1.00 72.23 N ATOM 0 H ARG A 54 -10.205 3.922 -7.679 1.00 24.11 H new ATOM 0 HA ARG A 54 -7.829 2.975 -9.036 1.00 34.23 H new ATOM 0 HB2 ARG A 54 -8.966 3.431 -11.281 1.00 22.10 H new ATOM 0 HB3 ARG A 54 -9.090 1.851 -10.532 1.00 22.10 H new ATOM 0 HG2 ARG A 54 -11.367 2.163 -9.935 1.00 63.12 H new ATOM 0 HG3 ARG A 54 -11.254 3.911 -10.001 1.00 63.12 H new ATOM 0 HD2 ARG A 54 -10.936 3.848 -12.437 1.00 54.34 H new ATOM 0 HD3 ARG A 54 -10.881 2.096 -12.419 1.00 54.34 H new ATOM 0 HE ARG A 54 -13.335 2.965 -11.212 1.00 4.12 H new ATOM 0 HH11 ARG A 54 -11.774 2.953 -14.386 1.00 32.12 H new ATOM 0 HH12 ARG A 54 -13.303 2.773 -15.252 1.00 32.12 H new ATOM 0 HH21 ARG A 54 -15.260 2.675 -12.326 1.00 72.23 H new ATOM 0 HH22 ARG A 54 -15.267 2.616 -14.091 1.00 72.23 H new ATOM 844 N GLY A 55 -7.555 5.401 -8.421 1.00 1.25 N ATOM 845 CA GLY A 55 -7.173 6.776 -8.136 1.00 13.42 C ATOM 846 C GLY A 55 -5.685 6.961 -8.392 1.00 23.12 C ATOM 847 O GLY A 55 -5.136 6.281 -9.256 1.00 54.03 O ATOM 0 H GLY A 55 -6.945 4.740 -7.940 1.00 1.25 H new ATOM 0 HA2 GLY A 55 -7.747 7.460 -8.762 1.00 13.42 H new ATOM 0 HA3 GLY A 55 -7.406 7.021 -7.100 1.00 13.42 H new ATOM 851 N THR A 56 -5.013 7.840 -7.646 1.00 30.13 N ATOM 852 CA THR A 56 -3.594 8.176 -7.821 1.00 43.03 C ATOM 853 C THR A 56 -2.883 8.018 -6.471 1.00 25.11 C ATOM 854 O THR A 56 -3.468 8.339 -5.431 1.00 74.12 O ATOM 855 CB THR A 56 -3.431 9.609 -8.397 1.00 21.22 C ATOM 856 OG1 THR A 56 -4.669 10.246 -8.666 1.00 22.15 O ATOM 857 CG2 THR A 56 -2.694 9.626 -9.738 1.00 30.53 C ATOM 0 H THR A 56 -5.451 8.354 -6.881 1.00 30.13 H new ATOM 0 HA THR A 56 -3.138 7.498 -8.542 1.00 43.03 H new ATOM 0 HB THR A 56 -2.874 10.128 -7.617 1.00 21.22 H new ATOM 0 HG1 THR A 56 -4.504 11.143 -9.024 1.00 22.15 H new ATOM 0 HG21 THR A 56 -2.609 10.653 -10.093 1.00 30.53 H new ATOM 0 HG22 THR A 56 -1.698 9.202 -9.611 1.00 30.53 H new ATOM 0 HG23 THR A 56 -3.250 9.035 -10.466 1.00 30.53 H new ATOM 865 N TYR A 57 -1.657 7.486 -6.459 1.00 61.20 N ATOM 866 CA TYR A 57 -0.797 7.562 -5.277 1.00 51.44 C ATOM 867 C TYR A 57 0.107 8.794 -5.404 1.00 44.21 C ATOM 868 O TYR A 57 0.087 9.492 -6.418 1.00 4.44 O ATOM 869 CB TYR A 57 -0.008 6.257 -5.042 1.00 1.05 C ATOM 870 CG TYR A 57 1.131 5.999 -6.001 1.00 3.33 C ATOM 871 CD1 TYR A 57 2.424 6.467 -5.722 1.00 10.21 C ATOM 872 CD2 TYR A 57 0.893 5.291 -7.183 1.00 32.45 C ATOM 873 CE1 TYR A 57 3.474 6.249 -6.631 1.00 42.00 C ATOM 874 CE2 TYR A 57 1.942 5.023 -8.078 1.00 43.23 C ATOM 875 CZ TYR A 57 3.241 5.501 -7.806 1.00 2.25 C ATOM 876 OH TYR A 57 4.243 5.282 -8.695 1.00 41.03 O ATOM 0 H TYR A 57 -1.240 7.000 -7.253 1.00 61.20 H new ATOM 0 HA TYR A 57 -1.416 7.676 -4.387 1.00 51.44 H new ATOM 0 HB2 TYR A 57 0.392 6.273 -4.028 1.00 1.05 H new ATOM 0 HB3 TYR A 57 -0.703 5.419 -5.098 1.00 1.05 H new ATOM 0 HD1 TYR A 57 2.614 6.999 -4.802 1.00 10.21 H new ATOM 0 HD2 TYR A 57 -0.105 4.947 -7.410 1.00 32.45 H new ATOM 0 HE1 TYR A 57 4.456 6.652 -6.431 1.00 42.00 H new ATOM 0 HE2 TYR A 57 1.754 4.451 -8.975 1.00 43.23 H new ATOM 0 HH TYR A 57 4.110 4.414 -9.130 1.00 41.03 H new ATOM 886 N ILE A 58 0.902 9.068 -4.369 1.00 53.21 N ATOM 887 CA ILE A 58 1.972 10.069 -4.364 1.00 33.11 C ATOM 888 C ILE A 58 3.099 9.485 -3.505 1.00 33.23 C ATOM 889 O ILE A 58 2.812 8.924 -2.447 1.00 1.01 O ATOM 890 CB ILE A 58 1.463 11.431 -3.815 1.00 53.22 C ATOM 891 CG1 ILE A 58 0.282 11.982 -4.653 1.00 70.52 C ATOM 892 CG2 ILE A 58 2.611 12.453 -3.797 1.00 74.51 C ATOM 893 CD1 ILE A 58 -0.193 13.392 -4.286 1.00 34.54 C ATOM 0 H ILE A 58 0.816 8.581 -3.477 1.00 53.21 H new ATOM 0 HA ILE A 58 2.329 10.277 -5.373 1.00 33.11 H new ATOM 0 HB ILE A 58 1.104 11.265 -2.799 1.00 53.22 H new ATOM 0 HG12 ILE A 58 0.573 11.979 -5.703 1.00 70.52 H new ATOM 0 HG13 ILE A 58 -0.560 11.297 -4.554 1.00 70.52 H new ATOM 0 HG21 ILE A 58 2.245 13.404 -3.411 1.00 74.51 H new ATOM 0 HG22 ILE A 58 3.414 12.087 -3.158 1.00 74.51 H new ATOM 0 HG23 ILE A 58 2.989 12.594 -4.810 1.00 74.51 H new ATOM 0 HD11 ILE A 58 -1.022 13.677 -4.934 1.00 34.54 H new ATOM 0 HD12 ILE A 58 -0.523 13.406 -3.247 1.00 34.54 H new ATOM 0 HD13 ILE A 58 0.628 14.098 -4.415 1.00 34.54 H new ATOM 905 N ILE A 59 4.361 9.600 -3.932 1.00 74.51 N ATOM 906 CA ILE A 59 5.568 9.186 -3.204 1.00 10.32 C ATOM 907 C ILE A 59 6.508 10.375 -3.110 1.00 23.54 C ATOM 908 O ILE A 59 6.563 11.198 -4.022 1.00 41.01 O ATOM 909 CB ILE A 59 6.243 7.969 -3.885 1.00 51.24 C ATOM 910 CG1 ILE A 59 5.411 6.725 -3.540 1.00 43.43 C ATOM 911 CG2 ILE A 59 7.721 7.729 -3.517 1.00 14.22 C ATOM 912 CD1 ILE A 59 5.815 5.478 -4.314 1.00 33.32 C ATOM 0 H ILE A 59 4.581 10.005 -4.842 1.00 74.51 H new ATOM 0 HA ILE A 59 5.299 8.864 -2.198 1.00 10.32 H new ATOM 0 HB ILE A 59 6.265 8.182 -4.954 1.00 51.24 H new ATOM 0 HG12 ILE A 59 5.502 6.524 -2.473 1.00 43.43 H new ATOM 0 HG13 ILE A 59 4.360 6.937 -3.736 1.00 43.43 H new ATOM 0 HG21 ILE A 59 8.091 6.853 -4.050 1.00 14.22 H new ATOM 0 HG22 ILE A 59 8.312 8.601 -3.797 1.00 14.22 H new ATOM 0 HG23 ILE A 59 7.806 7.563 -2.443 1.00 14.22 H new ATOM 0 HD11 ILE A 59 5.182 4.643 -4.015 1.00 33.32 H new ATOM 0 HD12 ILE A 59 5.697 5.659 -5.382 1.00 33.32 H new ATOM 0 HD13 ILE A 59 6.857 5.238 -4.100 1.00 33.32 H new ATOM 924 N SER A 60 7.265 10.424 -2.017 1.00 64.50 N ATOM 925 CA SER A 60 8.253 11.451 -1.757 1.00 14.44 C ATOM 926 C SER A 60 9.660 10.904 -2.006 1.00 33.43 C ATOM 927 O SER A 60 9.931 9.716 -1.797 1.00 14.34 O ATOM 928 CB SER A 60 8.089 11.975 -0.321 1.00 3.42 C ATOM 929 OG SER A 60 6.899 11.528 0.324 1.00 44.12 O ATOM 0 H SER A 60 7.202 9.730 -1.272 1.00 64.50 H new ATOM 0 HA SER A 60 8.102 12.288 -2.439 1.00 14.44 H new ATOM 0 HB2 SER A 60 8.950 11.663 0.270 1.00 3.42 H new ATOM 0 HB3 SER A 60 8.093 13.065 -0.340 1.00 3.42 H new ATOM 0 HG SER A 60 7.098 11.302 1.257 1.00 44.12 H new ATOM 935 N LEU A 61 10.561 11.780 -2.447 1.00 44.40 N ATOM 936 CA LEU A 61 11.960 11.459 -2.701 1.00 4.42 C ATOM 937 C LEU A 61 12.729 11.461 -1.392 1.00 22.51 C ATOM 938 O LEU A 61 13.324 10.449 -1.015 1.00 41.33 O ATOM 939 CB LEU A 61 12.572 12.473 -3.695 1.00 24.35 C ATOM 940 CG LEU A 61 12.985 11.854 -5.036 1.00 23.14 C ATOM 941 CD1 LEU A 61 14.033 10.755 -4.816 1.00 32.51 C ATOM 942 CD2 LEU A 61 11.771 11.323 -5.807 1.00 45.41 C ATOM 0 H LEU A 61 10.331 12.755 -2.641 1.00 44.40 H new ATOM 0 HA LEU A 61 12.025 10.466 -3.146 1.00 4.42 H new ATOM 0 HB2 LEU A 61 11.849 13.268 -3.880 1.00 24.35 H new ATOM 0 HB3 LEU A 61 13.445 12.936 -3.235 1.00 24.35 H new ATOM 0 HG LEU A 61 13.434 12.637 -5.647 1.00 23.14 H new ATOM 0 HD11 LEU A 61 14.316 10.325 -5.777 1.00 32.51 H new ATOM 0 HD12 LEU A 61 14.913 11.183 -4.336 1.00 32.51 H new ATOM 0 HD13 LEU A 61 13.615 9.976 -4.179 1.00 32.51 H new ATOM 0 HD21 LEU A 61 12.101 10.891 -6.752 1.00 45.41 H new ATOM 0 HD22 LEU A 61 11.270 10.558 -5.214 1.00 45.41 H new ATOM 0 HD23 LEU A 61 11.079 12.141 -6.004 1.00 45.41 H new ATOM 954 N ASP A 62 12.720 12.618 -0.734 1.00 63.32 N ATOM 955 CA ASP A 62 13.468 12.868 0.483 1.00 10.03 C ATOM 956 C ASP A 62 12.786 12.109 1.614 1.00 10.02 C ATOM 957 O ASP A 62 13.214 11.059 2.092 1.00 14.14 O ATOM 958 CB ASP A 62 13.522 14.384 0.765 1.00 73.50 C ATOM 959 CG ASP A 62 14.810 15.019 0.249 1.00 42.00 C ATOM 960 OD1 ASP A 62 15.137 14.887 -0.951 1.00 73.43 O ATOM 961 OD2 ASP A 62 15.508 15.651 1.080 1.00 52.10 O ATOM 0 H ASP A 62 12.177 13.424 -1.045 1.00 63.32 H new ATOM 0 HA ASP A 62 14.497 12.522 0.388 1.00 10.03 H new ATOM 0 HB2 ASP A 62 12.666 14.870 0.297 1.00 73.50 H new ATOM 0 HB3 ASP A 62 13.438 14.556 1.838 1.00 73.50 H new ATOM 966 N GLU A 63 11.654 12.664 2.018 1.00 64.12 N ATOM 967 CA GLU A 63 10.885 12.314 3.182 1.00 32.54 C ATOM 968 C GLU A 63 10.092 11.033 2.912 1.00 61.44 C ATOM 969 O GLU A 63 8.885 11.102 2.722 1.00 10.12 O ATOM 970 CB GLU A 63 10.061 13.558 3.579 1.00 13.44 C ATOM 971 CG GLU A 63 9.253 14.252 2.451 1.00 24.32 C ATOM 972 CD GLU A 63 9.250 15.786 2.577 1.00 4.44 C ATOM 973 OE1 GLU A 63 10.234 16.446 2.128 1.00 54.04 O ATOM 974 OE2 GLU A 63 8.262 16.336 3.105 1.00 14.23 O ATOM 0 H GLU A 63 11.224 13.427 1.495 1.00 64.12 H new ATOM 0 HA GLU A 63 11.499 12.062 4.047 1.00 32.54 H new ATOM 0 HB2 GLU A 63 9.365 13.267 4.366 1.00 13.44 H new ATOM 0 HB3 GLU A 63 10.741 14.292 4.011 1.00 13.44 H new ATOM 0 HG2 GLU A 63 9.673 13.972 1.485 1.00 24.32 H new ATOM 0 HG3 GLU A 63 8.226 13.888 2.470 1.00 24.32 H new ATOM 981 N LYS A 64 10.756 9.863 2.965 1.00 12.21 N ATOM 982 CA LYS A 64 10.235 8.526 2.622 1.00 34.14 C ATOM 983 C LYS A 64 8.827 8.297 3.185 1.00 23.15 C ATOM 984 O LYS A 64 8.653 7.911 4.352 1.00 4.42 O ATOM 985 CB LYS A 64 11.192 7.413 3.115 1.00 1.33 C ATOM 986 CG LYS A 64 12.151 6.865 2.055 1.00 34.43 C ATOM 987 CD LYS A 64 13.192 7.903 1.648 1.00 25.33 C ATOM 988 CE LYS A 64 14.140 7.287 0.625 1.00 32.34 C ATOM 989 NZ LYS A 64 15.153 8.265 0.200 1.00 64.14 N ATOM 0 H LYS A 64 11.730 9.823 3.267 1.00 12.21 H new ATOM 0 HA LYS A 64 10.172 8.481 1.535 1.00 34.14 H new ATOM 0 HB2 LYS A 64 11.779 7.802 3.947 1.00 1.33 H new ATOM 0 HB3 LYS A 64 10.595 6.588 3.504 1.00 1.33 H new ATOM 0 HG2 LYS A 64 12.653 5.978 2.442 1.00 34.43 H new ATOM 0 HG3 LYS A 64 11.585 6.554 1.177 1.00 34.43 H new ATOM 0 HD2 LYS A 64 12.702 8.781 1.226 1.00 25.33 H new ATOM 0 HD3 LYS A 64 13.750 8.239 2.522 1.00 25.33 H new ATOM 0 HE2 LYS A 64 14.629 6.413 1.055 1.00 32.34 H new ATOM 0 HE3 LYS A 64 13.575 6.942 -0.241 1.00 32.34 H new ATOM 0 HZ1 LYS A 64 15.789 7.826 -0.496 1.00 64.14 H new ATOM 0 HZ2 LYS A 64 14.683 9.087 -0.230 1.00 64.14 H new ATOM 0 HZ3 LYS A 64 15.705 8.574 1.026 1.00 64.14 H new ATOM 1003 N LEU A 65 7.817 8.542 2.354 1.00 51.21 N ATOM 1004 CA LEU A 65 6.405 8.466 2.692 1.00 70.53 C ATOM 1005 C LEU A 65 5.619 8.231 1.400 1.00 50.30 C ATOM 1006 O LEU A 65 6.162 8.354 0.294 1.00 50.00 O ATOM 1007 CB LEU A 65 5.974 9.777 3.386 1.00 10.34 C ATOM 1008 CG LEU A 65 4.848 9.585 4.415 1.00 70.32 C ATOM 1009 CD1 LEU A 65 5.372 8.964 5.711 1.00 54.40 C ATOM 1010 CD2 LEU A 65 4.243 10.925 4.802 1.00 61.24 C ATOM 0 H LEU A 65 7.972 8.811 1.382 1.00 51.21 H new ATOM 0 HA LEU A 65 6.209 7.645 3.381 1.00 70.53 H new ATOM 0 HB2 LEU A 65 6.839 10.217 3.883 1.00 10.34 H new ATOM 0 HB3 LEU A 65 5.646 10.489 2.629 1.00 10.34 H new ATOM 0 HG LEU A 65 4.112 8.933 3.945 1.00 70.32 H new ATOM 0 HD11 LEU A 65 4.549 8.843 6.415 1.00 54.40 H new ATOM 0 HD12 LEU A 65 5.812 7.990 5.496 1.00 54.40 H new ATOM 0 HD13 LEU A 65 6.129 9.616 6.147 1.00 54.40 H new ATOM 0 HD21 LEU A 65 3.448 10.768 5.531 1.00 61.24 H new ATOM 0 HD22 LEU A 65 5.014 11.560 5.237 1.00 61.24 H new ATOM 0 HD23 LEU A 65 3.832 11.408 3.916 1.00 61.24 H new ATOM 1022 N ILE A 66 4.336 7.904 1.525 1.00 10.21 N ATOM 1023 CA ILE A 66 3.446 7.601 0.419 1.00 45.42 C ATOM 1024 C ILE A 66 2.041 7.933 0.893 1.00 74.14 C ATOM 1025 O ILE A 66 1.750 7.823 2.089 1.00 32.45 O ATOM 1026 CB ILE A 66 3.587 6.126 -0.026 1.00 41.00 C ATOM 1027 CG1 ILE A 66 2.634 5.785 -1.197 1.00 24.24 C ATOM 1028 CG2 ILE A 66 3.413 5.154 1.152 1.00 33.55 C ATOM 1029 CD1 ILE A 66 2.967 4.477 -1.917 1.00 14.43 C ATOM 0 H ILE A 66 3.876 7.842 2.433 1.00 10.21 H new ATOM 0 HA ILE A 66 3.693 8.191 -0.463 1.00 45.42 H new ATOM 0 HB ILE A 66 4.605 6.001 -0.395 1.00 41.00 H new ATOM 0 HG12 ILE A 66 1.614 5.727 -0.816 1.00 24.24 H new ATOM 0 HG13 ILE A 66 2.658 6.601 -1.920 1.00 24.24 H new ATOM 0 HG21 ILE A 66 3.519 4.129 0.797 1.00 33.55 H new ATOM 0 HG22 ILE A 66 4.173 5.357 1.907 1.00 33.55 H new ATOM 0 HG23 ILE A 66 2.423 5.286 1.589 1.00 33.55 H new ATOM 0 HD11 ILE A 66 2.252 4.313 -2.723 1.00 14.43 H new ATOM 0 HD12 ILE A 66 3.973 4.536 -2.331 1.00 14.43 H new ATOM 0 HD13 ILE A 66 2.913 3.649 -1.210 1.00 14.43 H new ATOM 1041 N LYS A 67 1.177 8.346 -0.028 1.00 24.14 N ATOM 1042 CA LYS A 67 -0.222 8.646 0.233 1.00 4.11 C ATOM 1043 C LYS A 67 -1.044 8.135 -0.939 1.00 45.22 C ATOM 1044 O LYS A 67 -0.493 7.951 -2.029 1.00 52.22 O ATOM 1045 CB LYS A 67 -0.392 10.159 0.435 1.00 50.00 C ATOM 1046 CG LYS A 67 0.282 10.660 1.727 1.00 45.32 C ATOM 1047 CD LYS A 67 1.753 11.082 1.580 1.00 13.04 C ATOM 1048 CE LYS A 67 2.058 12.492 2.091 1.00 34.25 C ATOM 1049 NZ LYS A 67 1.724 12.731 3.509 1.00 74.30 N ATOM 0 H LYS A 67 1.440 8.484 -1.004 1.00 24.14 H new ATOM 0 HA LYS A 67 -0.567 8.154 1.143 1.00 4.11 H new ATOM 0 HB2 LYS A 67 0.031 10.686 -0.420 1.00 50.00 H new ATOM 0 HB3 LYS A 67 -1.454 10.401 0.465 1.00 50.00 H new ATOM 0 HG2 LYS A 67 -0.286 11.509 2.108 1.00 45.32 H new ATOM 0 HG3 LYS A 67 0.220 9.873 2.478 1.00 45.32 H new ATOM 0 HD2 LYS A 67 2.379 10.370 2.118 1.00 13.04 H new ATOM 0 HD3 LYS A 67 2.033 11.021 0.528 1.00 13.04 H new ATOM 0 HE2 LYS A 67 3.119 12.693 1.945 1.00 34.25 H new ATOM 0 HE3 LYS A 67 1.511 13.209 1.479 1.00 34.25 H new ATOM 0 HZ1 LYS A 67 2.442 13.351 3.935 1.00 74.30 H new ATOM 0 HZ2 LYS A 67 0.791 13.187 3.574 1.00 74.30 H new ATOM 0 HZ3 LYS A 67 1.703 11.824 4.018 1.00 74.30 H new ATOM 1063 N LEU A 68 -2.335 7.885 -0.727 1.00 24.51 N ATOM 1064 CA LEU A 68 -3.238 7.350 -1.742 1.00 45.34 C ATOM 1065 C LEU A 68 -4.510 8.171 -1.719 1.00 4.13 C ATOM 1066 O LEU A 68 -5.013 8.492 -0.647 1.00 41.41 O ATOM 1067 CB LEU A 68 -3.571 5.878 -1.473 1.00 70.33 C ATOM 1068 CG LEU A 68 -2.339 4.952 -1.463 1.00 33.13 C ATOM 1069 CD1 LEU A 68 -2.077 4.404 -0.053 1.00 45.14 C ATOM 1070 CD2 LEU A 68 -2.485 3.793 -2.445 1.00 61.41 C ATOM 0 H LEU A 68 -2.790 8.052 0.171 1.00 24.51 H new ATOM 0 HA LEU A 68 -2.755 7.407 -2.717 1.00 45.34 H new ATOM 0 HB2 LEU A 68 -4.080 5.800 -0.512 1.00 70.33 H new ATOM 0 HB3 LEU A 68 -4.270 5.529 -2.233 1.00 70.33 H new ATOM 0 HG LEU A 68 -1.489 5.557 -1.778 1.00 33.13 H new ATOM 0 HD11 LEU A 68 -1.203 3.753 -0.072 1.00 45.14 H new ATOM 0 HD12 LEU A 68 -1.898 5.233 0.632 1.00 45.14 H new ATOM 0 HD13 LEU A 68 -2.944 3.836 0.284 1.00 45.14 H new ATOM 0 HD21 LEU A 68 -1.594 3.167 -2.404 1.00 61.41 H new ATOM 0 HD22 LEU A 68 -3.359 3.198 -2.179 1.00 61.41 H new ATOM 0 HD23 LEU A 68 -2.607 4.185 -3.455 1.00 61.41 H new ATOM 1082 N TYR A 69 -5.022 8.517 -2.892 1.00 53.00 N ATOM 1083 CA TYR A 69 -6.087 9.491 -3.051 1.00 30.12 C ATOM 1084 C TYR A 69 -7.318 8.794 -3.602 1.00 25.35 C ATOM 1085 O TYR A 69 -7.220 7.946 -4.487 1.00 22.55 O ATOM 1086 CB TYR A 69 -5.575 10.606 -3.963 1.00 53.22 C ATOM 1087 CG TYR A 69 -4.646 11.580 -3.257 1.00 2.31 C ATOM 1088 CD1 TYR A 69 -3.352 11.225 -2.827 1.00 32.44 C ATOM 1089 CD2 TYR A 69 -5.126 12.861 -2.970 1.00 1.42 C ATOM 1090 CE1 TYR A 69 -2.592 12.127 -2.056 1.00 53.03 C ATOM 1091 CE2 TYR A 69 -4.403 13.760 -2.180 1.00 54.33 C ATOM 1092 CZ TYR A 69 -3.121 13.396 -1.716 1.00 74.23 C ATOM 1093 OH TYR A 69 -2.395 14.261 -0.959 1.00 73.30 O ATOM 0 H TYR A 69 -4.701 8.120 -3.775 1.00 53.00 H new ATOM 0 HA TYR A 69 -6.375 9.939 -2.100 1.00 30.12 H new ATOM 0 HB2 TYR A 69 -5.050 10.162 -4.809 1.00 53.22 H new ATOM 0 HB3 TYR A 69 -6.426 11.154 -4.368 1.00 53.22 H new ATOM 0 HD1 TYR A 69 -2.942 10.261 -3.089 1.00 32.44 H new ATOM 0 HD2 TYR A 69 -6.082 13.165 -3.370 1.00 1.42 H new ATOM 0 HE1 TYR A 69 -1.603 11.850 -1.723 1.00 53.03 H new ATOM 0 HE2 TYR A 69 -4.821 14.723 -1.928 1.00 54.33 H new ATOM 0 HH TYR A 69 -2.908 15.085 -0.821 1.00 73.30 H new ATOM 1103 N ASP A 70 -8.479 9.099 -3.043 1.00 52.44 N ATOM 1104 CA ASP A 70 -9.748 8.566 -3.528 1.00 72.41 C ATOM 1105 C ASP A 70 -10.324 9.476 -4.615 1.00 32.32 C ATOM 1106 O ASP A 70 -9.624 10.305 -5.205 1.00 10.04 O ATOM 1107 CB ASP A 70 -10.763 8.399 -2.394 1.00 4.43 C ATOM 1108 CG ASP A 70 -11.428 9.715 -1.995 1.00 5.11 C ATOM 1109 OD1 ASP A 70 -10.689 10.704 -1.827 1.00 62.31 O ATOM 1110 OD2 ASP A 70 -12.687 9.733 -2.015 1.00 25.22 O ATOM 0 H ASP A 70 -8.571 9.722 -2.241 1.00 52.44 H new ATOM 0 HA ASP A 70 -9.551 7.580 -3.948 1.00 72.41 H new ATOM 0 HB2 ASP A 70 -11.530 7.688 -2.701 1.00 4.43 H new ATOM 0 HB3 ASP A 70 -10.263 7.972 -1.525 1.00 4.43 H new ATOM 1115 N LYS A 71 -11.618 9.297 -4.882 1.00 65.43 N ATOM 1116 CA LYS A 71 -12.354 10.031 -5.888 1.00 3.24 C ATOM 1117 C LYS A 71 -12.574 11.487 -5.459 1.00 51.44 C ATOM 1118 O LYS A 71 -12.585 12.388 -6.296 1.00 63.24 O ATOM 1119 CB LYS A 71 -13.700 9.346 -6.142 1.00 13.04 C ATOM 1120 CG LYS A 71 -13.599 7.858 -6.526 1.00 70.31 C ATOM 1121 CD LYS A 71 -13.591 6.870 -5.341 1.00 53.32 C ATOM 1122 CE LYS A 71 -14.038 5.482 -5.817 1.00 30.13 C ATOM 1123 NZ LYS A 71 -15.496 5.291 -5.676 1.00 64.51 N ATOM 0 H LYS A 71 -12.191 8.615 -4.385 1.00 65.43 H new ATOM 0 HA LYS A 71 -11.770 10.037 -6.808 1.00 3.24 H new ATOM 0 HB2 LYS A 71 -14.313 9.436 -5.245 1.00 13.04 H new ATOM 0 HB3 LYS A 71 -14.220 9.879 -6.938 1.00 13.04 H new ATOM 0 HG2 LYS A 71 -14.436 7.611 -7.178 1.00 70.31 H new ATOM 0 HG3 LYS A 71 -12.688 7.711 -7.107 1.00 70.31 H new ATOM 0 HD2 LYS A 71 -12.591 6.812 -4.911 1.00 53.32 H new ATOM 0 HD3 LYS A 71 -14.256 7.226 -4.554 1.00 53.32 H new ATOM 0 HE2 LYS A 71 -13.754 5.348 -6.861 1.00 30.13 H new ATOM 0 HE3 LYS A 71 -13.515 4.716 -5.244 1.00 30.13 H new ATOM 0 HZ1 LYS A 71 -15.755 4.340 -6.009 1.00 64.51 H new ATOM 0 HZ2 LYS A 71 -15.764 5.393 -4.676 1.00 64.51 H new ATOM 0 HZ3 LYS A 71 -15.996 6.005 -6.243 1.00 64.51 H new ATOM 1137 N GLU A 72 -12.747 11.741 -4.167 1.00 31.23 N ATOM 1138 CA GLU A 72 -12.738 13.086 -3.595 1.00 65.32 C ATOM 1139 C GLU A 72 -11.308 13.599 -3.367 1.00 22.34 C ATOM 1140 O GLU A 72 -11.124 14.672 -2.795 1.00 74.44 O ATOM 1141 CB GLU A 72 -13.546 13.048 -2.293 1.00 33.34 C ATOM 1142 CG GLU A 72 -15.038 13.281 -2.571 1.00 34.55 C ATOM 1143 CD GLU A 72 -15.417 14.756 -2.429 1.00 62.31 C ATOM 1144 OE1 GLU A 72 -14.572 15.634 -2.687 1.00 62.12 O ATOM 1145 OE2 GLU A 72 -16.571 15.018 -2.013 1.00 34.13 O ATOM 0 H GLU A 72 -12.900 11.008 -3.475 1.00 31.23 H new ATOM 0 HA GLU A 72 -13.195 13.788 -4.292 1.00 65.32 H new ATOM 0 HB2 GLU A 72 -13.409 12.084 -1.803 1.00 33.34 H new ATOM 0 HB3 GLU A 72 -13.176 13.810 -1.607 1.00 33.34 H new ATOM 0 HG2 GLU A 72 -15.278 12.939 -3.578 1.00 34.55 H new ATOM 0 HG3 GLU A 72 -15.634 12.684 -1.881 1.00 34.55 H new ATOM 1152 N GLU A 73 -10.297 12.843 -3.808 1.00 4.23 N ATOM 1153 CA GLU A 73 -8.871 13.114 -3.710 1.00 2.35 C ATOM 1154 C GLU A 73 -8.455 13.629 -2.321 1.00 3.01 C ATOM 1155 O GLU A 73 -7.584 14.484 -2.169 1.00 31.54 O ATOM 1156 CB GLU A 73 -8.359 13.869 -4.956 1.00 10.23 C ATOM 1157 CG GLU A 73 -8.786 15.333 -5.039 1.00 41.00 C ATOM 1158 CD GLU A 73 -8.372 15.999 -6.355 1.00 43.22 C ATOM 1159 OE1 GLU A 73 -7.227 15.776 -6.818 1.00 70.20 O ATOM 1160 OE2 GLU A 73 -9.209 16.741 -6.921 1.00 30.55 O ATOM 0 H GLU A 73 -10.476 11.956 -4.279 1.00 4.23 H new ATOM 0 HA GLU A 73 -8.315 12.177 -3.752 1.00 2.35 H new ATOM 0 HB2 GLU A 73 -7.270 13.822 -4.970 1.00 10.23 H new ATOM 0 HB3 GLU A 73 -8.712 13.351 -5.848 1.00 10.23 H new ATOM 0 HG2 GLU A 73 -9.869 15.398 -4.929 1.00 41.00 H new ATOM 0 HG3 GLU A 73 -8.348 15.882 -4.206 1.00 41.00 H new ATOM 1167 N HIS A 74 -9.041 13.051 -1.265 1.00 21.13 N ATOM 1168 CA HIS A 74 -8.859 13.583 0.079 1.00 21.21 C ATOM 1169 C HIS A 74 -7.699 12.978 0.854 1.00 12.04 C ATOM 1170 O HIS A 74 -7.442 13.430 1.971 1.00 14.24 O ATOM 1171 CB HIS A 74 -10.182 13.538 0.859 1.00 72.34 C ATOM 1172 CG HIS A 74 -10.832 12.177 1.006 1.00 42.30 C ATOM 1173 ND1 HIS A 74 -12.145 11.902 0.711 1.00 52.30 N ATOM 1174 CD2 HIS A 74 -10.276 11.014 1.484 1.00 14.24 C ATOM 1175 CE1 HIS A 74 -12.368 10.610 0.973 1.00 30.52 C ATOM 1176 NE2 HIS A 74 -11.266 10.022 1.461 1.00 45.01 N ATOM 0 H HIS A 74 -9.637 12.225 -1.320 1.00 21.13 H new ATOM 0 HA HIS A 74 -8.565 14.625 -0.046 1.00 21.21 H new ATOM 0 HB2 HIS A 74 -10.005 13.941 1.856 1.00 72.34 H new ATOM 0 HB3 HIS A 74 -10.891 14.204 0.367 1.00 72.34 H new ATOM 0 HD2 HIS A 74 -9.257 10.887 1.818 1.00 14.24 H new ATOM 0 HE1 HIS A 74 -13.310 10.107 0.813 1.00 30.52 H new ATOM 0 HE2 HIS A 74 -11.168 9.050 1.756 1.00 45.01 H new ATOM 1184 N CYS A 75 -6.901 12.111 0.227 1.00 32.21 N ATOM 1185 CA CYS A 75 -5.896 11.258 0.862 1.00 62.14 C ATOM 1186 C CYS A 75 -6.591 10.359 1.886 1.00 54.22 C ATOM 1187 O CYS A 75 -6.964 10.824 2.963 1.00 14.15 O ATOM 1188 CB CYS A 75 -4.747 12.063 1.485 1.00 25.13 C ATOM 1189 SG CYS A 75 -3.510 10.930 2.178 1.00 71.34 S ATOM 0 H CYS A 75 -6.940 11.979 -0.784 1.00 32.21 H new ATOM 0 HA CYS A 75 -5.428 10.638 0.097 1.00 62.14 H new ATOM 0 HB2 CYS A 75 -4.287 12.702 0.731 1.00 25.13 H new ATOM 0 HB3 CYS A 75 -5.132 12.719 2.266 1.00 25.13 H new ATOM 0 HG CYS A 75 -2.538 11.616 2.702 1.00 71.34 H new ATOM 1195 N THR A 76 -6.812 9.098 1.520 1.00 52.00 N ATOM 1196 CA THR A 76 -7.437 8.126 2.402 1.00 62.24 C ATOM 1197 C THR A 76 -6.521 7.933 3.604 1.00 72.50 C ATOM 1198 O THR A 76 -6.899 8.167 4.749 1.00 72.33 O ATOM 1199 CB THR A 76 -7.693 6.811 1.637 1.00 73.11 C ATOM 1200 OG1 THR A 76 -6.548 6.277 0.985 1.00 51.40 O ATOM 1201 CG2 THR A 76 -8.707 7.029 0.521 1.00 13.34 C ATOM 0 H THR A 76 -6.562 8.726 0.604 1.00 52.00 H new ATOM 0 HA THR A 76 -8.408 8.474 2.754 1.00 62.24 H new ATOM 0 HB THR A 76 -8.033 6.122 2.410 1.00 73.11 H new ATOM 0 HG1 THR A 76 -6.791 5.446 0.526 1.00 51.40 H new ATOM 0 HG21 THR A 76 -8.874 6.090 -0.007 1.00 13.34 H new ATOM 0 HG22 THR A 76 -9.647 7.378 0.947 1.00 13.34 H new ATOM 0 HG23 THR A 76 -8.326 7.775 -0.177 1.00 13.34 H new ATOM 1209 N GLU A 77 -5.285 7.526 3.315 1.00 1.43 N ATOM 1210 CA GLU A 77 -4.268 7.197 4.284 1.00 12.43 C ATOM 1211 C GLU A 77 -2.882 7.475 3.718 1.00 13.43 C ATOM 1212 O GLU A 77 -2.668 7.548 2.500 1.00 2.12 O ATOM 1213 CB GLU A 77 -4.388 5.711 4.646 1.00 34.42 C ATOM 1214 CG GLU A 77 -5.420 5.474 5.756 1.00 64.52 C ATOM 1215 CD GLU A 77 -6.540 4.520 5.371 1.00 34.14 C ATOM 1216 OE1 GLU A 77 -6.207 3.411 4.896 1.00 44.30 O ATOM 1217 OE2 GLU A 77 -7.717 4.783 5.700 1.00 34.33 O ATOM 0 H GLU A 77 -4.962 7.415 2.354 1.00 1.43 H new ATOM 0 HA GLU A 77 -4.408 7.812 5.173 1.00 12.43 H new ATOM 0 HB2 GLU A 77 -4.671 5.143 3.760 1.00 34.42 H new ATOM 0 HB3 GLU A 77 -3.416 5.336 4.968 1.00 34.42 H new ATOM 0 HG2 GLU A 77 -4.909 5.081 6.635 1.00 64.52 H new ATOM 0 HG3 GLU A 77 -5.855 6.431 6.043 1.00 64.52 H new ATOM 1224 N GLN A 78 -1.932 7.560 4.644 1.00 71.53 N ATOM 1225 CA GLN A 78 -0.526 7.812 4.438 1.00 70.11 C ATOM 1226 C GLN A 78 0.260 6.732 5.172 1.00 70.42 C ATOM 1227 O GLN A 78 -0.223 6.187 6.160 1.00 25.12 O ATOM 1228 CB GLN A 78 -0.217 9.227 4.946 1.00 61.21 C ATOM 1229 CG GLN A 78 -0.499 9.453 6.436 1.00 3.45 C ATOM 1230 CD GLN A 78 -0.715 10.932 6.708 1.00 50.24 C ATOM 1231 OE1 GLN A 78 -1.787 11.469 6.477 1.00 43.31 O ATOM 1232 NE2 GLN A 78 0.303 11.642 7.159 1.00 74.34 N ATOM 0 H GLN A 78 -2.152 7.444 5.633 1.00 71.53 H new ATOM 0 HA GLN A 78 -0.243 7.769 3.386 1.00 70.11 H new ATOM 0 HB2 GLN A 78 0.833 9.446 4.753 1.00 61.21 H new ATOM 0 HB3 GLN A 78 -0.803 9.941 4.368 1.00 61.21 H new ATOM 0 HG2 GLN A 78 -1.381 8.887 6.737 1.00 3.45 H new ATOM 0 HG3 GLN A 78 0.335 9.084 7.032 1.00 3.45 H new ATOM 0 HE21 GLN A 78 1.196 11.188 7.350 1.00 74.34 H new ATOM 0 HE22 GLN A 78 0.196 12.644 7.316 1.00 74.34 H new ATOM 1241 N TYR A 79 1.459 6.407 4.691 1.00 33.52 N ATOM 1242 CA TYR A 79 2.245 5.315 5.254 1.00 64.54 C ATOM 1243 C TYR A 79 3.729 5.659 5.194 1.00 62.24 C ATOM 1244 O TYR A 79 4.183 6.339 4.269 1.00 3.42 O ATOM 1245 CB TYR A 79 1.961 4.021 4.481 1.00 72.43 C ATOM 1246 CG TYR A 79 0.506 3.589 4.447 1.00 72.44 C ATOM 1247 CD1 TYR A 79 -0.358 4.037 3.424 1.00 31.52 C ATOM 1248 CD2 TYR A 79 0.018 2.729 5.444 1.00 53.22 C ATOM 1249 CE1 TYR A 79 -1.704 3.622 3.399 1.00 53.04 C ATOM 1250 CE2 TYR A 79 -1.312 2.284 5.397 1.00 61.55 C ATOM 1251 CZ TYR A 79 -2.185 2.724 4.377 1.00 5.43 C ATOM 1252 OH TYR A 79 -3.422 2.165 4.263 1.00 32.32 O ATOM 0 H TYR A 79 1.907 6.887 3.910 1.00 33.52 H new ATOM 0 HA TYR A 79 1.965 5.168 6.297 1.00 64.54 H new ATOM 0 HB2 TYR A 79 2.309 4.146 3.456 1.00 72.43 H new ATOM 0 HB3 TYR A 79 2.551 3.217 4.922 1.00 72.43 H new ATOM 0 HD1 TYR A 79 0.015 4.701 2.658 1.00 31.52 H new ATOM 0 HD2 TYR A 79 0.666 2.410 6.247 1.00 53.22 H new ATOM 0 HE1 TYR A 79 -2.368 3.991 2.632 1.00 53.04 H new ATOM 0 HE2 TYR A 79 -1.672 1.598 6.149 1.00 61.55 H new ATOM 0 HH TYR A 79 -4.102 2.820 4.526 1.00 32.32 H new ATOM 1262 N HIS A 80 4.499 5.173 6.167 1.00 41.03 N ATOM 1263 CA HIS A 80 5.936 5.397 6.258 1.00 30.41 C ATOM 1264 C HIS A 80 6.651 4.200 5.639 1.00 45.12 C ATOM 1265 O HIS A 80 6.375 3.055 6.002 1.00 64.11 O ATOM 1266 CB HIS A 80 6.382 5.583 7.718 1.00 10.14 C ATOM 1267 CG HIS A 80 7.003 6.923 8.037 1.00 65.21 C ATOM 1268 ND1 HIS A 80 7.982 7.573 7.313 1.00 43.14 N ATOM 1269 CD2 HIS A 80 6.820 7.631 9.196 1.00 31.42 C ATOM 1270 CE1 HIS A 80 8.403 8.614 8.052 1.00 62.31 C ATOM 1271 NE2 HIS A 80 7.732 8.680 9.211 1.00 72.41 N ATOM 0 H HIS A 80 4.131 4.602 6.928 1.00 41.03 H new ATOM 0 HA HIS A 80 6.190 6.310 5.720 1.00 30.41 H new ATOM 0 HB2 HIS A 80 5.518 5.438 8.366 1.00 10.14 H new ATOM 0 HB3 HIS A 80 7.100 4.800 7.964 1.00 10.14 H new ATOM 0 HD1 HIS A 80 8.323 7.312 6.388 1.00 43.14 H new ATOM 0 HD2 HIS A 80 6.093 7.412 9.964 1.00 31.42 H new ATOM 0 HE1 HIS A 80 9.178 9.304 7.752 1.00 62.31 H new ATOM 1279 N ILE A 81 7.594 4.465 4.738 1.00 61.53 N ATOM 1280 CA ILE A 81 8.306 3.454 3.968 1.00 25.13 C ATOM 1281 C ILE A 81 9.547 3.030 4.763 1.00 1.02 C ATOM 1282 O ILE A 81 10.640 3.546 4.518 1.00 11.05 O ATOM 1283 CB ILE A 81 8.664 4.028 2.575 1.00 10.14 C ATOM 1284 CG1 ILE A 81 7.427 4.669 1.898 1.00 4.04 C ATOM 1285 CG2 ILE A 81 9.323 2.941 1.700 1.00 43.04 C ATOM 1286 CD1 ILE A 81 7.689 5.220 0.496 1.00 12.35 C ATOM 0 H ILE A 81 7.890 5.416 4.519 1.00 61.53 H new ATOM 0 HA ILE A 81 7.688 2.571 3.803 1.00 25.13 H new ATOM 0 HB ILE A 81 9.393 4.828 2.701 1.00 10.14 H new ATOM 0 HG12 ILE A 81 6.633 3.924 1.840 1.00 4.04 H new ATOM 0 HG13 ILE A 81 7.060 5.478 2.530 1.00 4.04 H new ATOM 0 HG21 ILE A 81 9.569 3.359 0.724 1.00 43.04 H new ATOM 0 HG22 ILE A 81 10.234 2.588 2.183 1.00 43.04 H new ATOM 0 HG23 ILE A 81 8.632 2.107 1.574 1.00 43.04 H new ATOM 0 HD11 ILE A 81 6.771 5.650 0.097 1.00 12.35 H new ATOM 0 HD12 ILE A 81 8.459 5.990 0.546 1.00 12.35 H new ATOM 0 HD13 ILE A 81 8.025 4.413 -0.155 1.00 12.35 H new ATOM 1298 N LEU A 82 9.412 2.087 5.703 1.00 14.21 N ATOM 1299 CA LEU A 82 10.571 1.646 6.489 1.00 4.13 C ATOM 1300 C LEU A 82 11.553 0.909 5.574 1.00 30.52 C ATOM 1301 O LEU A 82 12.720 1.288 5.474 1.00 53.13 O ATOM 1302 CB LEU A 82 10.191 0.758 7.692 1.00 23.21 C ATOM 1303 CG LEU A 82 9.024 1.251 8.563 1.00 70.22 C ATOM 1304 CD1 LEU A 82 8.705 0.240 9.678 1.00 73.21 C ATOM 1305 CD2 LEU A 82 9.324 2.623 9.175 1.00 34.41 C ATOM 0 H LEU A 82 8.533 1.623 5.935 1.00 14.21 H new ATOM 0 HA LEU A 82 11.037 2.539 6.906 1.00 4.13 H new ATOM 0 HB2 LEU A 82 9.943 -0.235 7.319 1.00 23.21 H new ATOM 0 HB3 LEU A 82 11.070 0.649 8.328 1.00 23.21 H new ATOM 0 HG LEU A 82 8.154 1.347 7.914 1.00 70.22 H new ATOM 0 HD11 LEU A 82 7.876 0.612 10.280 1.00 73.21 H new ATOM 0 HD12 LEU A 82 8.430 -0.717 9.234 1.00 73.21 H new ATOM 0 HD13 LEU A 82 9.582 0.108 10.311 1.00 73.21 H new ATOM 0 HD21 LEU A 82 8.479 2.942 9.785 1.00 34.41 H new ATOM 0 HD22 LEU A 82 10.216 2.556 9.798 1.00 34.41 H new ATOM 0 HD23 LEU A 82 9.491 3.348 8.378 1.00 34.41 H new ATOM 1317 N LYS A 83 11.071 -0.134 4.885 1.00 3.34 N ATOM 1318 CA LYS A 83 11.826 -0.964 3.948 1.00 74.31 C ATOM 1319 C LYS A 83 10.864 -1.561 2.927 1.00 63.24 C ATOM 1320 O LYS A 83 9.654 -1.641 3.171 1.00 71.25 O ATOM 1321 CB LYS A 83 12.626 -2.072 4.691 1.00 54.05 C ATOM 1322 CG LYS A 83 14.102 -1.700 4.736 1.00 14.12 C ATOM 1323 CD LYS A 83 14.923 -2.467 5.763 1.00 24.40 C ATOM 1324 CE LYS A 83 15.309 -3.867 5.305 1.00 62.22 C ATOM 1325 NZ LYS A 83 16.351 -4.447 6.182 1.00 74.33 N ATOM 0 H LYS A 83 10.100 -0.432 4.972 1.00 3.34 H new ATOM 0 HA LYS A 83 12.558 -0.345 3.429 1.00 74.31 H new ATOM 0 HB2 LYS A 83 12.241 -2.194 5.704 1.00 54.05 H new ATOM 0 HB3 LYS A 83 12.498 -3.028 4.184 1.00 54.05 H new ATOM 0 HG2 LYS A 83 14.534 -1.866 3.749 1.00 14.12 H new ATOM 0 HG3 LYS A 83 14.187 -0.634 4.946 1.00 14.12 H new ATOM 0 HD2 LYS A 83 15.829 -1.904 5.987 1.00 24.40 H new ATOM 0 HD3 LYS A 83 14.355 -2.540 6.690 1.00 24.40 H new ATOM 0 HE2 LYS A 83 14.428 -4.509 5.308 1.00 62.22 H new ATOM 0 HE3 LYS A 83 15.673 -3.829 4.278 1.00 62.22 H new ATOM 0 HZ1 LYS A 83 16.258 -5.483 6.194 1.00 74.33 H new ATOM 0 HZ2 LYS A 83 17.292 -4.188 5.821 1.00 74.33 H new ATOM 0 HZ3 LYS A 83 16.237 -4.078 7.148 1.00 74.33 H new ATOM 1339 N LEU A 84 11.418 -2.001 1.799 1.00 71.35 N ATOM 1340 CA LEU A 84 10.751 -2.699 0.711 1.00 30.44 C ATOM 1341 C LEU A 84 11.720 -3.789 0.285 1.00 51.02 C ATOM 1342 O LEU A 84 12.920 -3.558 0.362 1.00 43.12 O ATOM 1343 CB LEU A 84 10.519 -1.719 -0.455 1.00 13.14 C ATOM 1344 CG LEU A 84 9.330 -2.116 -1.349 1.00 14.24 C ATOM 1345 CD1 LEU A 84 8.747 -0.876 -2.016 1.00 45.24 C ATOM 1346 CD2 LEU A 84 9.703 -3.130 -2.437 1.00 72.24 C ATOM 0 H LEU A 84 12.412 -1.868 1.612 1.00 71.35 H new ATOM 0 HA LEU A 84 9.784 -3.106 1.007 1.00 30.44 H new ATOM 0 HB2 LEU A 84 10.347 -0.720 -0.054 1.00 13.14 H new ATOM 0 HB3 LEU A 84 11.422 -1.667 -1.063 1.00 13.14 H new ATOM 0 HG LEU A 84 8.599 -2.590 -0.694 1.00 14.24 H new ATOM 0 HD11 LEU A 84 7.906 -1.164 -2.647 1.00 45.24 H new ATOM 0 HD12 LEU A 84 8.405 -0.178 -1.251 1.00 45.24 H new ATOM 0 HD13 LEU A 84 9.512 -0.398 -2.627 1.00 45.24 H new ATOM 0 HD21 LEU A 84 8.821 -3.367 -3.031 1.00 72.24 H new ATOM 0 HD22 LEU A 84 10.472 -2.705 -3.082 1.00 72.24 H new ATOM 0 HD23 LEU A 84 10.082 -4.040 -1.972 1.00 72.24 H new ATOM 1358 N THR A 85 11.240 -4.928 -0.192 1.00 51.12 N ATOM 1359 CA THR A 85 12.074 -5.981 -0.751 1.00 63.33 C ATOM 1360 C THR A 85 11.360 -6.601 -1.958 1.00 2.00 C ATOM 1361 O THR A 85 10.224 -6.240 -2.272 1.00 53.45 O ATOM 1362 CB THR A 85 12.458 -7.009 0.331 1.00 30.22 C ATOM 1363 OG1 THR A 85 11.429 -7.954 0.534 1.00 54.22 O ATOM 1364 CG2 THR A 85 12.826 -6.401 1.693 1.00 1.21 C ATOM 0 H THR A 85 10.244 -5.150 -0.202 1.00 51.12 H new ATOM 0 HA THR A 85 13.017 -5.566 -1.108 1.00 63.33 H new ATOM 0 HB THR A 85 13.354 -7.486 -0.067 1.00 30.22 H new ATOM 0 HG1 THR A 85 11.703 -8.593 1.224 1.00 54.22 H new ATOM 0 HG21 THR A 85 13.082 -7.199 2.390 1.00 1.21 H new ATOM 0 HG22 THR A 85 13.680 -5.734 1.575 1.00 1.21 H new ATOM 0 HG23 THR A 85 11.977 -5.838 2.081 1.00 1.21 H new ATOM 1372 N SER A 86 11.976 -7.571 -2.633 1.00 50.45 N ATOM 1373 CA SER A 86 11.357 -8.300 -3.738 1.00 2.33 C ATOM 1374 C SER A 86 10.046 -9.002 -3.408 1.00 24.34 C ATOM 1375 O SER A 86 9.357 -9.408 -4.348 1.00 23.23 O ATOM 1376 CB SER A 86 12.332 -9.344 -4.298 1.00 1.13 C ATOM 1377 OG SER A 86 13.441 -9.637 -3.452 1.00 11.31 O ATOM 0 H SER A 86 12.927 -7.875 -2.426 1.00 50.45 H new ATOM 0 HA SER A 86 11.118 -7.527 -4.469 1.00 2.33 H new ATOM 0 HB2 SER A 86 11.784 -10.267 -4.489 1.00 1.13 H new ATOM 0 HB3 SER A 86 12.708 -8.992 -5.258 1.00 1.13 H new ATOM 0 HG SER A 86 14.010 -10.310 -3.880 1.00 11.31 H new ATOM 1383 N LYS A 87 9.704 -9.180 -2.131 1.00 24.14 N ATOM 1384 CA LYS A 87 8.479 -9.855 -1.725 1.00 10.30 C ATOM 1385 C LYS A 87 7.879 -9.271 -0.454 1.00 23.21 C ATOM 1386 O LYS A 87 6.958 -9.878 0.075 1.00 51.12 O ATOM 1387 CB LYS A 87 8.735 -11.364 -1.576 1.00 34.40 C ATOM 1388 CG LYS A 87 9.796 -11.688 -0.510 1.00 3.02 C ATOM 1389 CD LYS A 87 9.361 -12.867 0.373 1.00 31.30 C ATOM 1390 CE LYS A 87 10.138 -12.877 1.692 1.00 42.11 C ATOM 1391 NZ LYS A 87 9.677 -13.921 2.631 1.00 32.10 N ATOM 0 H LYS A 87 10.274 -8.857 -1.349 1.00 24.14 H new ATOM 0 HA LYS A 87 7.741 -9.694 -2.511 1.00 10.30 H new ATOM 0 HB2 LYS A 87 7.801 -11.862 -1.315 1.00 34.40 H new ATOM 0 HB3 LYS A 87 9.055 -11.770 -2.536 1.00 34.40 H new ATOM 0 HG2 LYS A 87 10.742 -11.925 -0.996 1.00 3.02 H new ATOM 0 HG3 LYS A 87 9.969 -10.810 0.112 1.00 3.02 H new ATOM 0 HD2 LYS A 87 8.292 -12.799 0.576 1.00 31.30 H new ATOM 0 HD3 LYS A 87 9.526 -13.805 -0.158 1.00 31.30 H new ATOM 0 HE2 LYS A 87 11.197 -13.029 1.481 1.00 42.11 H new ATOM 0 HE3 LYS A 87 10.044 -11.901 2.169 1.00 42.11 H new ATOM 0 HZ1 LYS A 87 10.241 -13.877 3.504 1.00 32.10 H new ATOM 0 HZ2 LYS A 87 8.674 -13.765 2.858 1.00 32.10 H new ATOM 0 HZ3 LYS A 87 9.791 -14.857 2.193 1.00 32.10 H new ATOM 1405 N GLU A 88 8.394 -8.169 0.083 1.00 45.15 N ATOM 1406 CA GLU A 88 8.033 -7.737 1.424 1.00 5.02 C ATOM 1407 C GLU A 88 8.038 -6.220 1.482 1.00 1.04 C ATOM 1408 O GLU A 88 8.744 -5.567 0.717 1.00 63.44 O ATOM 1409 CB GLU A 88 9.047 -8.328 2.405 1.00 1.40 C ATOM 1410 CG GLU A 88 8.423 -8.700 3.743 1.00 23.52 C ATOM 1411 CD GLU A 88 9.437 -9.497 4.553 1.00 71.33 C ATOM 1412 OE1 GLU A 88 9.773 -10.612 4.116 1.00 70.45 O ATOM 1413 OE2 GLU A 88 9.840 -9.062 5.660 1.00 10.03 O ATOM 0 H GLU A 88 9.062 -7.561 -0.391 1.00 45.15 H new ATOM 0 HA GLU A 88 7.034 -8.082 1.689 1.00 5.02 H new ATOM 0 HB2 GLU A 88 9.501 -9.214 1.962 1.00 1.40 H new ATOM 0 HB3 GLU A 88 9.848 -7.608 2.570 1.00 1.40 H new ATOM 0 HG2 GLU A 88 8.129 -7.801 4.285 1.00 23.52 H new ATOM 0 HG3 GLU A 88 7.519 -9.288 3.587 1.00 23.52 H new ATOM 1420 N MET A 89 7.240 -5.644 2.370 1.00 24.41 N ATOM 1421 CA MET A 89 7.120 -4.206 2.511 1.00 62.22 C ATOM 1422 C MET A 89 6.663 -3.868 3.922 1.00 21.51 C ATOM 1423 O MET A 89 5.891 -4.618 4.513 1.00 34.53 O ATOM 1424 CB MET A 89 6.111 -3.741 1.460 1.00 33.51 C ATOM 1425 CG MET A 89 5.877 -2.240 1.464 1.00 72.13 C ATOM 1426 SD MET A 89 5.052 -1.705 -0.045 1.00 50.32 S ATOM 1427 CE MET A 89 3.360 -1.995 0.508 1.00 62.31 C ATOM 0 H MET A 89 6.653 -6.170 3.018 1.00 24.41 H new ATOM 0 HA MET A 89 8.073 -3.700 2.356 1.00 62.22 H new ATOM 0 HB2 MET A 89 6.462 -4.043 0.473 1.00 33.51 H new ATOM 0 HB3 MET A 89 5.162 -4.249 1.630 1.00 33.51 H new ATOM 0 HG2 MET A 89 5.273 -1.966 2.329 1.00 72.13 H new ATOM 0 HG3 MET A 89 6.830 -1.721 1.564 1.00 72.13 H new ATOM 0 HE1 MET A 89 2.697 -2.038 -0.356 1.00 62.31 H new ATOM 0 HE2 MET A 89 3.311 -2.940 1.050 1.00 62.31 H new ATOM 0 HE3 MET A 89 3.048 -1.183 1.165 1.00 62.31 H new ATOM 1437 N LYS A 90 7.110 -2.727 4.449 1.00 2.01 N ATOM 1438 CA LYS A 90 6.799 -2.277 5.813 1.00 74.55 C ATOM 1439 C LYS A 90 6.159 -0.914 5.763 1.00 5.20 C ATOM 1440 O LYS A 90 6.870 0.096 5.742 1.00 51.01 O ATOM 1441 CB LYS A 90 8.059 -2.188 6.663 1.00 22.53 C ATOM 1442 CG LYS A 90 8.664 -3.556 6.916 1.00 53.24 C ATOM 1443 CD LYS A 90 10.101 -3.445 7.399 1.00 22.30 C ATOM 1444 CE LYS A 90 10.218 -3.519 8.917 1.00 54.14 C ATOM 1445 NZ LYS A 90 11.611 -3.281 9.342 1.00 12.44 N ATOM 0 H LYS A 90 7.707 -2.078 3.936 1.00 2.01 H new ATOM 0 HA LYS A 90 6.120 -3.003 6.259 1.00 74.55 H new ATOM 0 HB2 LYS A 90 8.791 -1.553 6.163 1.00 22.53 H new ATOM 0 HB3 LYS A 90 7.823 -1.713 7.615 1.00 22.53 H new ATOM 0 HG2 LYS A 90 8.069 -4.087 7.659 1.00 53.24 H new ATOM 0 HG3 LYS A 90 8.631 -4.146 6.000 1.00 53.24 H new ATOM 0 HD2 LYS A 90 10.693 -4.245 6.954 1.00 22.30 H new ATOM 0 HD3 LYS A 90 10.525 -2.503 7.051 1.00 22.30 H new ATOM 0 HE2 LYS A 90 9.561 -2.779 9.374 1.00 54.14 H new ATOM 0 HE3 LYS A 90 9.888 -4.498 9.265 1.00 54.14 H new ATOM 0 HZ1 LYS A 90 11.672 -3.335 10.379 1.00 12.44 H new ATOM 0 HZ2 LYS A 90 12.231 -4.002 8.921 1.00 12.44 H new ATOM 0 HZ3 LYS A 90 11.914 -2.337 9.026 1.00 12.44 H new ATOM 1459 N TRP A 91 4.839 -0.888 5.638 1.00 32.32 N ATOM 1460 CA TRP A 91 4.079 0.345 5.648 1.00 3.40 C ATOM 1461 C TRP A 91 3.739 0.612 7.098 1.00 43.02 C ATOM 1462 O TRP A 91 2.769 0.063 7.605 1.00 42.34 O ATOM 1463 CB TRP A 91 2.847 0.214 4.748 1.00 51.05 C ATOM 1464 CG TRP A 91 3.004 0.814 3.380 1.00 25.33 C ATOM 1465 CD1 TRP A 91 1.983 1.308 2.647 1.00 1.04 C ATOM 1466 CD2 TRP A 91 4.211 1.046 2.578 1.00 62.45 C ATOM 1467 NE1 TRP A 91 2.471 1.881 1.499 1.00 14.21 N ATOM 1468 CE2 TRP A 91 3.842 1.783 1.419 1.00 33.20 C ATOM 1469 CE3 TRP A 91 5.577 0.699 2.674 1.00 74.53 C ATOM 1470 CZ2 TRP A 91 4.773 2.165 0.440 1.00 71.53 C ATOM 1471 CZ3 TRP A 91 6.502 1.000 1.661 1.00 53.04 C ATOM 1472 CH2 TRP A 91 6.097 1.726 0.532 1.00 53.31 C ATOM 0 H TRP A 91 4.268 -1.726 5.527 1.00 32.32 H new ATOM 0 HA TRP A 91 4.639 1.189 5.244 1.00 3.40 H new ATOM 0 HB2 TRP A 91 2.603 -0.843 4.641 1.00 51.05 H new ATOM 0 HB3 TRP A 91 2.000 0.688 5.243 1.00 51.05 H new ATOM 0 HD1 TRP A 91 0.940 1.260 2.922 1.00 1.04 H new ATOM 0 HE1 TRP A 91 1.888 2.326 0.790 1.00 14.21 H new ATOM 0 HE3 TRP A 91 5.922 0.184 3.558 1.00 74.53 H new ATOM 0 HZ2 TRP A 91 4.467 2.796 -0.381 1.00 71.53 H new ATOM 0 HZ3 TRP A 91 7.527 0.672 1.752 1.00 53.04 H new ATOM 0 HH2 TRP A 91 6.800 1.944 -0.258 1.00 53.31 H new ATOM 1483 N GLU A 92 4.572 1.399 7.769 1.00 24.42 N ATOM 1484 CA GLU A 92 4.296 1.857 9.122 1.00 51.34 C ATOM 1485 C GLU A 92 3.150 2.874 9.055 1.00 4.12 C ATOM 1486 O GLU A 92 3.041 3.594 8.057 1.00 23.51 O ATOM 1487 CB GLU A 92 5.580 2.484 9.687 1.00 74.10 C ATOM 1488 CG GLU A 92 5.816 2.184 11.165 1.00 74.22 C ATOM 1489 CD GLU A 92 4.813 2.895 12.062 1.00 11.45 C ATOM 1490 OE1 GLU A 92 4.999 4.102 12.334 1.00 53.02 O ATOM 1491 OE2 GLU A 92 3.870 2.215 12.513 1.00 72.53 O ATOM 0 H GLU A 92 5.457 1.736 7.389 1.00 24.42 H new ATOM 0 HA GLU A 92 3.995 1.039 9.777 1.00 51.34 H new ATOM 0 HB2 GLU A 92 6.433 2.122 9.112 1.00 74.10 H new ATOM 0 HB3 GLU A 92 5.537 3.564 9.548 1.00 74.10 H new ATOM 0 HG2 GLU A 92 5.751 1.109 11.331 1.00 74.22 H new ATOM 0 HG3 GLU A 92 6.826 2.488 11.439 1.00 74.22 H new ATOM 1498 N ASN A 93 2.370 2.996 10.133 1.00 45.12 N ATOM 1499 CA ASN A 93 1.229 3.892 10.246 1.00 43.21 C ATOM 1500 C ASN A 93 1.632 5.315 9.907 1.00 13.04 C ATOM 1501 O ASN A 93 0.905 5.974 9.186 1.00 43.20 O ATOM 1502 CB ASN A 93 0.646 3.800 11.664 1.00 4.05 C ATOM 1503 CG ASN A 93 -0.709 4.482 11.872 1.00 65.40 C ATOM 1504 OD1 ASN A 93 -1.545 3.956 12.592 1.00 53.41 O ATOM 1505 ND2 ASN A 93 -0.985 5.644 11.307 1.00 44.31 N ATOM 0 H ASN A 93 2.527 2.450 10.980 1.00 45.12 H new ATOM 0 HA ASN A 93 0.461 3.592 9.533 1.00 43.21 H new ATOM 0 HB2 ASN A 93 0.546 2.747 11.928 1.00 4.05 H new ATOM 0 HB3 ASN A 93 1.362 4.237 12.360 1.00 4.05 H new ATOM 0 HD21 ASN A 93 -1.887 6.091 11.474 1.00 44.31 H new ATOM 0 HD22 ASN A 93 -0.297 6.094 10.704 1.00 44.31 H new ATOM 1512 N ALA A 94 2.773 5.804 10.397 1.00 73.52 N ATOM 1513 CA ALA A 94 3.284 7.155 10.162 1.00 70.40 C ATOM 1514 C ALA A 94 2.482 8.273 10.821 1.00 2.14 C ATOM 1515 O ALA A 94 3.091 9.108 11.489 1.00 53.14 O ATOM 1516 CB ALA A 94 3.425 7.475 8.667 1.00 61.14 C ATOM 0 H ALA A 94 3.389 5.249 10.991 1.00 73.52 H new ATOM 0 HA ALA A 94 4.264 7.132 10.639 1.00 70.40 H new ATOM 0 HB1 ALA A 94 3.808 8.489 8.546 1.00 61.14 H new ATOM 0 HB2 ALA A 94 4.117 6.769 8.207 1.00 61.14 H new ATOM 0 HB3 ALA A 94 2.451 7.395 8.184 1.00 61.14 H new ATOM 1522 N SER A 95 1.169 8.337 10.604 1.00 53.23 N ATOM 1523 CA SER A 95 0.293 9.348 11.183 1.00 21.44 C ATOM 1524 C SER A 95 -0.750 8.648 12.051 1.00 64.14 C ATOM 1525 O SER A 95 -1.906 8.482 11.661 1.00 31.55 O ATOM 1526 CB SER A 95 -0.292 10.254 10.099 1.00 4.42 C ATOM 1527 OG SER A 95 -0.459 11.567 10.593 1.00 44.13 O ATOM 0 H SER A 95 0.677 7.672 10.008 1.00 53.23 H new ATOM 0 HA SER A 95 0.853 10.022 11.831 1.00 21.44 H new ATOM 0 HB2 SER A 95 0.367 10.266 9.231 1.00 4.42 H new ATOM 0 HB3 SER A 95 -1.252 9.859 9.765 1.00 4.42 H new ATOM 0 HG SER A 95 -0.833 12.137 9.888 1.00 44.13 H new ATOM 1533 N PRO A 96 -0.365 8.224 13.264 1.00 31.13 N ATOM 1534 CA PRO A 96 -1.263 7.497 14.148 1.00 24.22 C ATOM 1535 C PRO A 96 -2.417 8.367 14.636 1.00 32.24 C ATOM 1536 O PRO A 96 -3.359 7.829 15.210 1.00 44.13 O ATOM 1537 CB PRO A 96 -0.391 7.023 15.306 1.00 1.41 C ATOM 1538 CG PRO A 96 0.730 8.059 15.362 1.00 44.04 C ATOM 1539 CD PRO A 96 0.934 8.407 13.888 1.00 1.31 C ATOM 0 HA PRO A 96 -1.738 6.663 13.630 1.00 24.22 H new ATOM 0 HB2 PRO A 96 -0.951 6.988 16.241 1.00 1.41 H new ATOM 0 HB3 PRO A 96 -0.001 6.020 15.130 1.00 1.41 H new ATOM 0 HG2 PRO A 96 0.446 8.932 15.949 1.00 44.04 H new ATOM 0 HG3 PRO A 96 1.636 7.653 15.812 1.00 44.04 H new ATOM 0 HD2 PRO A 96 1.285 9.432 13.772 1.00 1.31 H new ATOM 0 HD3 PRO A 96 1.683 7.760 13.432 1.00 1.31 H new ATOM 1547 N LYS A 97 -2.344 9.686 14.435 1.00 52.41 N ATOM 1548 CA LYS A 97 -3.412 10.626 14.726 1.00 3.22 C ATOM 1549 C LYS A 97 -4.453 10.569 13.615 1.00 63.12 C ATOM 1550 O LYS A 97 -5.626 10.395 13.939 1.00 25.45 O ATOM 1551 CB LYS A 97 -2.866 12.049 14.910 1.00 33.11 C ATOM 1552 CG LYS A 97 -1.733 12.103 15.937 1.00 22.24 C ATOM 1553 CD LYS A 97 -1.619 13.421 16.710 1.00 11.42 C ATOM 1554 CE LYS A 97 -1.412 14.654 15.824 1.00 63.20 C ATOM 1555 NZ LYS A 97 -1.258 15.874 16.643 1.00 52.33 N ATOM 0 H LYS A 97 -1.512 10.135 14.053 1.00 52.41 H new ATOM 0 HA LYS A 97 -3.886 10.345 15.667 1.00 3.22 H new ATOM 0 HB2 LYS A 97 -2.505 12.425 13.953 1.00 33.11 H new ATOM 0 HB3 LYS A 97 -3.674 12.708 15.227 1.00 33.11 H new ATOM 0 HG2 LYS A 97 -1.872 11.292 16.651 1.00 22.24 H new ATOM 0 HG3 LYS A 97 -0.789 11.918 15.424 1.00 22.24 H new ATOM 0 HD2 LYS A 97 -2.523 13.561 17.302 1.00 11.42 H new ATOM 0 HD3 LYS A 97 -0.787 13.347 17.411 1.00 11.42 H new ATOM 0 HE2 LYS A 97 -0.528 14.515 15.202 1.00 63.20 H new ATOM 0 HE3 LYS A 97 -2.261 14.769 15.150 1.00 63.20 H new ATOM 0 HZ1 LYS A 97 -1.119 16.695 16.020 1.00 52.33 H new ATOM 0 HZ2 LYS A 97 -2.113 16.016 17.218 1.00 52.33 H new ATOM 0 HZ3 LYS A 97 -0.433 15.771 17.268 1.00 52.33 H new ATOM 1569 N ASP A 98 -4.043 10.688 12.344 1.00 1.15 N ATOM 1570 CA ASP A 98 -5.023 10.764 11.258 1.00 5.44 C ATOM 1571 C ASP A 98 -5.617 9.387 10.958 1.00 4.04 C ATOM 1572 O ASP A 98 -6.772 9.341 10.545 1.00 64.12 O ATOM 1573 CB ASP A 98 -4.510 11.462 9.983 1.00 22.43 C ATOM 1574 CG ASP A 98 -4.647 12.990 10.007 1.00 61.51 C ATOM 1575 OD1 ASP A 98 -4.375 13.596 11.069 1.00 64.41 O ATOM 1576 OD2 ASP A 98 -4.992 13.603 8.965 1.00 22.33 O ATOM 0 H ASP A 98 -3.067 10.733 12.050 1.00 1.15 H new ATOM 0 HA ASP A 98 -5.819 11.412 11.624 1.00 5.44 H new ATOM 0 HB2 ASP A 98 -3.461 11.204 9.838 1.00 22.43 H new ATOM 0 HB3 ASP A 98 -5.056 11.072 9.124 1.00 22.43 H new ATOM 1581 N GLY A 99 -4.907 8.283 11.243 1.00 74.30 N ATOM 1582 CA GLY A 99 -5.465 6.933 11.218 1.00 3.33 C ATOM 1583 C GLY A 99 -5.031 6.164 9.988 1.00 13.45 C ATOM 1584 O GLY A 99 -5.587 6.366 8.907 1.00 71.31 O ATOM 0 H GLY A 99 -3.920 8.310 11.499 1.00 74.30 H new ATOM 0 HA2 GLY A 99 -5.151 6.394 12.112 1.00 3.33 H new ATOM 0 HA3 GLY A 99 -6.553 6.990 11.245 1.00 3.33 H new ATOM 1588 N ASN A 100 -4.012 5.312 10.129 1.00 25.41 N ATOM 1589 CA ASN A 100 -3.493 4.475 9.062 1.00 54.13 C ATOM 1590 C ASN A 100 -3.184 3.084 9.603 1.00 50.14 C ATOM 1591 O ASN A 100 -3.636 2.732 10.692 1.00 73.43 O ATOM 1592 CB ASN A 100 -2.262 5.109 8.381 1.00 25.13 C ATOM 1593 CG ASN A 100 -2.274 6.629 8.273 1.00 42.03 C ATOM 1594 OD1 ASN A 100 -1.484 7.335 8.893 1.00 62.54 O ATOM 1595 ND2 ASN A 100 -3.201 7.167 7.510 1.00 4.01 N ATOM 0 H ASN A 100 -3.518 5.188 11.013 1.00 25.41 H new ATOM 0 HA ASN A 100 -4.258 4.386 8.291 1.00 54.13 H new ATOM 0 HB2 ASN A 100 -1.371 4.810 8.933 1.00 25.13 H new ATOM 0 HB3 ASN A 100 -2.171 4.693 7.378 1.00 25.13 H new ATOM 0 HD21 ASN A 100 -3.269 8.181 7.429 1.00 4.01 H new ATOM 0 HD22 ASN A 100 -3.852 6.570 7.000 1.00 4.01 H new ATOM 1602 N SER A 101 -2.434 2.286 8.845 1.00 44.32 N ATOM 1603 CA SER A 101 -2.075 0.926 9.216 1.00 14.42 C ATOM 1604 C SER A 101 -0.555 0.735 9.242 1.00 64.21 C ATOM 1605 O SER A 101 0.166 1.394 8.497 1.00 3.31 O ATOM 1606 CB SER A 101 -2.694 -0.073 8.240 1.00 25.11 C ATOM 1607 OG SER A 101 -3.532 0.448 7.225 1.00 34.23 O ATOM 0 H SER A 101 -2.055 2.574 7.943 1.00 44.32 H new ATOM 0 HA SER A 101 -2.464 0.747 10.219 1.00 14.42 H new ATOM 0 HB2 SER A 101 -1.884 -0.623 7.760 1.00 25.11 H new ATOM 0 HB3 SER A 101 -3.271 -0.795 8.817 1.00 25.11 H new ATOM 0 HG SER A 101 -4.160 -0.245 6.932 1.00 34.23 H new ATOM 1613 N ASP A 102 -0.088 -0.265 9.986 1.00 64.21 N ATOM 1614 CA ASP A 102 1.310 -0.591 10.280 1.00 53.25 C ATOM 1615 C ASP A 102 1.724 -1.989 9.775 1.00 65.11 C ATOM 1616 O ASP A 102 2.759 -2.522 10.191 1.00 5.01 O ATOM 1617 CB ASP A 102 1.561 -0.457 11.791 1.00 12.13 C ATOM 1618 CG ASP A 102 0.860 -1.514 12.654 1.00 45.03 C ATOM 1619 OD1 ASP A 102 0.015 -2.285 12.158 1.00 32.20 O ATOM 1620 OD2 ASP A 102 1.165 -1.566 13.874 1.00 33.11 O ATOM 0 H ASP A 102 -0.726 -0.922 10.436 1.00 64.21 H new ATOM 0 HA ASP A 102 1.933 0.120 9.738 1.00 53.25 H new ATOM 0 HB2 ASP A 102 2.634 -0.512 11.973 1.00 12.13 H new ATOM 0 HB3 ASP A 102 1.233 0.531 12.114 1.00 12.13 H new ATOM 1625 N LYS A 103 0.912 -2.608 8.905 1.00 21.31 N ATOM 1626 CA LYS A 103 1.080 -4.006 8.480 1.00 24.40 C ATOM 1627 C LYS A 103 2.142 -4.141 7.401 1.00 73.44 C ATOM 1628 O LYS A 103 2.610 -3.137 6.841 1.00 41.23 O ATOM 1629 CB LYS A 103 -0.240 -4.658 8.022 1.00 45.21 C ATOM 1630 CG LYS A 103 -0.724 -4.258 6.611 1.00 5.42 C ATOM 1631 CD LYS A 103 -1.837 -3.201 6.733 1.00 24.40 C ATOM 1632 CE LYS A 103 -2.391 -2.585 5.436 1.00 11.40 C ATOM 1633 NZ LYS A 103 -1.986 -1.175 5.286 1.00 74.44 N ATOM 0 H LYS A 103 0.112 -2.147 8.472 1.00 21.31 H new ATOM 0 HA LYS A 103 1.415 -4.547 9.365 1.00 24.40 H new ATOM 0 HB2 LYS A 103 -0.120 -5.741 8.053 1.00 45.21 H new ATOM 0 HB3 LYS A 103 -1.019 -4.403 8.740 1.00 45.21 H new ATOM 0 HG2 LYS A 103 0.107 -3.861 6.028 1.00 5.42 H new ATOM 0 HG3 LYS A 103 -1.096 -5.134 6.080 1.00 5.42 H new ATOM 0 HD2 LYS A 103 -2.670 -3.653 7.271 1.00 24.40 H new ATOM 0 HD3 LYS A 103 -1.460 -2.389 7.354 1.00 24.40 H new ATOM 0 HE2 LYS A 103 -2.036 -3.159 4.580 1.00 11.40 H new ATOM 0 HE3 LYS A 103 -3.479 -2.653 5.436 1.00 11.40 H new ATOM 0 HZ1 LYS A 103 -1.942 -0.932 4.276 1.00 74.44 H new ATOM 0 HZ2 LYS A 103 -2.680 -0.562 5.759 1.00 74.44 H new ATOM 0 HZ3 LYS A 103 -1.050 -1.035 5.717 1.00 74.44 H new ATOM 1647 N ARG A 104 2.421 -5.392 7.015 1.00 71.24 N ATOM 1648 CA ARG A 104 3.602 -5.714 6.246 1.00 31.43 C ATOM 1649 C ARG A 104 3.345 -6.630 5.047 1.00 33.24 C ATOM 1650 O ARG A 104 3.451 -7.847 5.118 1.00 31.53 O ATOM 1651 CB ARG A 104 4.673 -6.238 7.220 1.00 52.03 C ATOM 1652 CG ARG A 104 4.249 -7.506 7.999 1.00 52.02 C ATOM 1653 CD ARG A 104 4.474 -7.391 9.515 1.00 73.51 C ATOM 1654 NE ARG A 104 4.329 -8.704 10.169 1.00 53.12 N ATOM 1655 CZ ARG A 104 5.296 -9.621 10.292 1.00 50.25 C ATOM 1656 NH1 ARG A 104 6.560 -9.351 9.991 1.00 51.13 N ATOM 1657 NH2 ARG A 104 5.013 -10.841 10.711 1.00 23.12 N ATOM 0 H ARG A 104 1.831 -6.196 7.231 1.00 71.24 H new ATOM 0 HA ARG A 104 3.968 -4.808 5.764 1.00 31.43 H new ATOM 0 HB2 ARG A 104 5.583 -6.455 6.661 1.00 52.03 H new ATOM 0 HB3 ARG A 104 4.917 -5.451 7.933 1.00 52.03 H new ATOM 0 HG2 ARG A 104 3.194 -7.705 7.809 1.00 52.02 H new ATOM 0 HG3 ARG A 104 4.808 -8.361 7.619 1.00 52.02 H new ATOM 0 HD2 ARG A 104 5.469 -6.991 9.710 1.00 73.51 H new ATOM 0 HD3 ARG A 104 3.759 -6.687 9.941 1.00 73.51 H new ATOM 0 HE ARG A 104 3.415 -8.933 10.561 1.00 53.12 H new ATOM 0 HH11 ARG A 104 6.817 -8.423 9.655 1.00 51.13 H new ATOM 0 HH12 ARG A 104 7.274 -10.072 10.095 1.00 51.13 H new ATOM 0 HH21 ARG A 104 4.052 -11.090 10.944 1.00 23.12 H new ATOM 0 HH22 ARG A 104 5.756 -11.534 10.802 1.00 23.12 H new ATOM 1671 N LEU A 105 2.991 -6.012 3.922 1.00 22.32 N ATOM 1672 CA LEU A 105 2.496 -6.672 2.723 1.00 53.33 C ATOM 1673 C LEU A 105 3.575 -7.603 2.169 1.00 31.40 C ATOM 1674 O LEU A 105 4.696 -7.167 1.908 1.00 45.13 O ATOM 1675 CB LEU A 105 2.088 -5.643 1.653 1.00 73.33 C ATOM 1676 CG LEU A 105 0.887 -4.728 1.975 1.00 32.54 C ATOM 1677 CD1 LEU A 105 1.133 -3.795 3.162 1.00 73.11 C ATOM 1678 CD2 LEU A 105 0.499 -3.896 0.746 1.00 30.31 C ATOM 0 H LEU A 105 3.044 -4.999 3.820 1.00 22.32 H new ATOM 0 HA LEU A 105 1.612 -7.253 2.987 1.00 53.33 H new ATOM 0 HB2 LEU A 105 2.950 -5.009 1.448 1.00 73.33 H new ATOM 0 HB3 LEU A 105 1.864 -6.183 0.733 1.00 73.33 H new ATOM 0 HG LEU A 105 0.070 -5.394 2.253 1.00 32.54 H new ATOM 0 HD11 LEU A 105 0.248 -3.181 3.332 1.00 73.11 H new ATOM 0 HD12 LEU A 105 1.340 -4.387 4.053 1.00 73.11 H new ATOM 0 HD13 LEU A 105 1.986 -3.151 2.948 1.00 73.11 H new ATOM 0 HD21 LEU A 105 -0.349 -3.257 0.992 1.00 30.31 H new ATOM 0 HD22 LEU A 105 1.344 -3.277 0.444 1.00 30.31 H new ATOM 0 HD23 LEU A 105 0.226 -4.562 -0.073 1.00 30.31 H new ATOM 1690 N GLU A 106 3.229 -8.862 1.903 1.00 44.22 N ATOM 1691 CA GLU A 106 4.167 -9.911 1.479 1.00 25.52 C ATOM 1692 C GLU A 106 3.972 -10.259 0.001 1.00 1.13 C ATOM 1693 O GLU A 106 3.846 -11.426 -0.382 1.00 1.40 O ATOM 1694 CB GLU A 106 4.046 -11.136 2.395 1.00 72.33 C ATOM 1695 CG GLU A 106 5.348 -11.940 2.512 1.00 24.30 C ATOM 1696 CD GLU A 106 5.288 -12.946 3.675 1.00 73.51 C ATOM 1697 OE1 GLU A 106 4.612 -13.994 3.548 1.00 63.22 O ATOM 1698 OE2 GLU A 106 5.940 -12.712 4.713 1.00 3.12 O ATOM 0 H GLU A 106 2.267 -9.193 1.977 1.00 44.22 H new ATOM 0 HA GLU A 106 5.185 -9.535 1.575 1.00 25.52 H new ATOM 0 HB2 GLU A 106 3.739 -10.809 3.388 1.00 72.33 H new ATOM 0 HB3 GLU A 106 3.258 -11.787 2.016 1.00 72.33 H new ATOM 0 HG2 GLU A 106 5.533 -12.472 1.579 1.00 24.30 H new ATOM 0 HG3 GLU A 106 6.185 -11.258 2.662 1.00 24.30 H new ATOM 1705 N LYS A 107 3.961 -9.227 -0.849 1.00 22.21 N ATOM 1706 CA LYS A 107 3.675 -9.332 -2.282 1.00 32.10 C ATOM 1707 C LYS A 107 2.255 -9.862 -2.521 1.00 54.04 C ATOM 1708 O LYS A 107 1.498 -10.022 -1.574 1.00 24.21 O ATOM 1709 CB LYS A 107 4.758 -10.219 -2.913 1.00 74.23 C ATOM 1710 CG LYS A 107 5.231 -9.711 -4.286 1.00 32.40 C ATOM 1711 CD LYS A 107 6.073 -8.423 -4.242 1.00 50.11 C ATOM 1712 CE LYS A 107 5.732 -7.500 -5.414 1.00 11.30 C ATOM 1713 NZ LYS A 107 6.449 -7.888 -6.653 1.00 11.01 N ATOM 0 H LYS A 107 4.156 -8.271 -0.551 1.00 22.21 H new ATOM 0 HA LYS A 107 3.704 -8.351 -2.756 1.00 32.10 H new ATOM 0 HB2 LYS A 107 5.613 -10.274 -2.239 1.00 74.23 H new ATOM 0 HB3 LYS A 107 4.372 -11.232 -3.021 1.00 74.23 H new ATOM 0 HG2 LYS A 107 5.817 -10.495 -4.766 1.00 32.40 H new ATOM 0 HG3 LYS A 107 4.357 -9.536 -4.914 1.00 32.40 H new ATOM 0 HD2 LYS A 107 5.896 -7.902 -3.301 1.00 50.11 H new ATOM 0 HD3 LYS A 107 7.133 -8.677 -4.272 1.00 50.11 H new ATOM 0 HE2 LYS A 107 4.657 -7.525 -5.594 1.00 11.30 H new ATOM 0 HE3 LYS A 107 5.988 -6.473 -5.153 1.00 11.30 H new ATOM 0 HZ1 LYS A 107 6.724 -7.033 -7.177 1.00 11.01 H new ATOM 0 HZ2 LYS A 107 7.301 -8.431 -6.406 1.00 11.01 H new ATOM 0 HZ3 LYS A 107 5.826 -8.472 -7.246 1.00 11.01 H new ATOM 1727 N TYR A 108 1.809 -10.010 -3.769 1.00 70.15 N ATOM 1728 CA TYR A 108 0.485 -10.557 -4.060 1.00 54.02 C ATOM 1729 C TYR A 108 0.632 -12.047 -4.292 1.00 24.24 C ATOM 1730 O TYR A 108 1.079 -12.457 -5.367 1.00 74.23 O ATOM 1731 CB TYR A 108 -0.209 -9.850 -5.231 1.00 65.42 C ATOM 1732 CG TYR A 108 -1.691 -10.147 -5.370 1.00 23.33 C ATOM 1733 CD1 TYR A 108 -2.554 -9.839 -4.304 1.00 42.14 C ATOM 1734 CD2 TYR A 108 -2.231 -10.663 -6.563 1.00 70.15 C ATOM 1735 CE1 TYR A 108 -3.931 -10.086 -4.399 1.00 33.20 C ATOM 1736 CE2 TYR A 108 -3.618 -10.870 -6.678 1.00 42.42 C ATOM 1737 CZ TYR A 108 -4.474 -10.577 -5.600 1.00 13.42 C ATOM 1738 OH TYR A 108 -5.813 -10.792 -5.684 1.00 65.32 O ATOM 0 H TYR A 108 2.348 -9.757 -4.597 1.00 70.15 H new ATOM 0 HA TYR A 108 -0.170 -10.381 -3.207 1.00 54.02 H new ATOM 0 HB2 TYR A 108 -0.078 -8.774 -5.116 1.00 65.42 H new ATOM 0 HB3 TYR A 108 0.292 -10.134 -6.156 1.00 65.42 H new ATOM 0 HD1 TYR A 108 -2.151 -9.406 -3.400 1.00 42.14 H new ATOM 0 HD2 TYR A 108 -1.580 -10.900 -7.391 1.00 70.15 H new ATOM 0 HE1 TYR A 108 -4.574 -9.900 -3.551 1.00 33.20 H new ATOM 0 HE2 TYR A 108 -4.028 -11.256 -7.599 1.00 42.42 H new ATOM 0 HH TYR A 108 -6.035 -11.130 -6.577 1.00 65.32 H new ATOM 1748 N ASN A 109 0.312 -12.836 -3.267 1.00 33.22 N ATOM 1749 CA ASN A 109 0.194 -14.279 -3.395 1.00 5.44 C ATOM 1750 C ASN A 109 -1.140 -14.583 -4.083 1.00 70.44 C ATOM 1751 O ASN A 109 -2.190 -14.707 -3.442 1.00 21.14 O ATOM 1752 CB ASN A 109 0.367 -14.986 -2.044 1.00 24.50 C ATOM 1753 CG ASN A 109 0.553 -16.491 -2.226 1.00 5.24 C ATOM 1754 OD1 ASN A 109 0.647 -16.988 -3.344 1.00 13.23 O ATOM 1755 ND2 ASN A 109 0.679 -17.221 -1.133 1.00 70.41 N ATOM 0 H ASN A 109 0.128 -12.488 -2.326 1.00 33.22 H new ATOM 0 HA ASN A 109 1.000 -14.676 -4.013 1.00 5.44 H new ATOM 0 HB2 ASN A 109 1.229 -14.571 -1.522 1.00 24.50 H new ATOM 0 HB3 ASN A 109 -0.505 -14.798 -1.418 1.00 24.50 H new ATOM 0 HD21 ASN A 109 0.859 -18.222 -1.206 1.00 70.41 H new ATOM 0 HD22 ASN A 109 0.597 -16.784 -0.215 1.00 70.41 H new ATOM 1762 N ASP A 110 -1.102 -14.519 -5.413 1.00 14.02 N ATOM 1763 CA ASP A 110 -2.226 -14.773 -6.308 1.00 65.25 C ATOM 1764 C ASP A 110 -2.396 -16.273 -6.448 1.00 14.13 C ATOM 1765 O ASP A 110 -3.454 -16.807 -6.056 1.00 45.15 O ATOM 1766 CB ASP A 110 -1.986 -14.152 -7.692 1.00 31.53 C ATOM 1767 CG ASP A 110 -3.290 -13.910 -8.463 1.00 45.45 C ATOM 1768 OD1 ASP A 110 -4.336 -14.531 -8.203 1.00 72.32 O ATOM 1769 OD2 ASP A 110 -3.293 -12.958 -9.276 1.00 30.23 O ATOM 0 H ASP A 110 -0.248 -14.278 -5.917 1.00 14.02 H new ATOM 0 HA ASP A 110 -3.124 -14.320 -5.889 1.00 65.25 H new ATOM 0 HB2 ASP A 110 -1.456 -13.207 -7.575 1.00 31.53 H new ATOM 0 HB3 ASP A 110 -1.340 -14.809 -8.274 1.00 31.53 H new TER 1774 ASP A 110