USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 19 TYR OH : rot 180:sc= 0.0225 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -153:sc= 0.00463 (180deg=0) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.0317 K(o=-0.038,f=-0.68) USER MOD Set 2.2: A 47 GLN : amide:sc=-0.00638 X(o=-0.038,f=-0.34) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.073 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 1.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -112:sc= 0.466 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00149 X(o=-0.0015,f=-0.0015) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 31 ASN : amide:sc= -3.27! C(o=-3.3!,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 39:sc= 0.638 USER MOD Single : A 37 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.1) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.146 (180deg=-0.493) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 132:sc= 0.408 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0055) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 41:sc= 0.907 USER MOD Single : A 65 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 76 MET CE :methyl 170:sc= -0.906 (180deg=-1.52) USER MOD Single : A 77 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.3!) USER MOD Single : A 78 GLN : amide:sc= -0.371 K(o=-0.37,f=-3!) USER MOD Single : A 80 MET CE :methyl -172:sc= 0 (180deg=-0.0992) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -170:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0337 K(o=-0.034,f=-0.91) USER MOD Single : A 86 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -97:sc= 0.126 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.9!) USER MOD Single : A 104 ASN : amide:sc= -2.52! K(o=-2.5!,f=-0.035) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.937 39.318 2.140 1.00 40.23 N ATOM 2 CA GLY A 1 -9.556 39.119 1.739 1.00 42.32 C ATOM 3 C GLY A 1 -9.432 38.276 0.485 1.00 45.34 C ATOM 4 O GLY A 1 -10.432 37.949 -0.152 1.00 41.32 O ATOM 0 H1 GLY A 1 -11.159 40.334 2.126 1.00 40.23 H new ATOM 0 H2 GLY A 1 -11.566 38.817 1.480 1.00 40.23 H new ATOM 0 H3 GLY A 1 -11.077 38.946 3.101 1.00 40.23 H new ATOM 0 HA2 GLY A 1 -9.087 40.088 1.569 1.00 42.32 H new ATOM 0 HA3 GLY A 1 -9.011 38.639 2.551 1.00 42.32 H new ATOM 8 N SER A 2 -8.200 37.926 0.129 1.00 53.31 N ATOM 9 CA SER A 2 -7.948 37.121 -1.061 1.00 41.23 C ATOM 10 C SER A 2 -6.470 36.762 -1.170 1.00 61.42 C ATOM 11 O SER A 2 -5.916 36.692 -2.267 1.00 52.13 O ATOM 12 CB SER A 2 -8.396 37.873 -2.315 1.00 60.24 C ATOM 13 OG SER A 2 -8.173 37.100 -3.481 1.00 35.23 O ATOM 0 H SER A 2 -7.361 38.187 0.647 1.00 53.31 H new ATOM 0 HA SER A 2 -8.523 36.199 -0.975 1.00 41.23 H new ATOM 0 HB2 SER A 2 -9.455 38.120 -2.236 1.00 60.24 H new ATOM 0 HB3 SER A 2 -7.854 38.815 -2.391 1.00 60.24 H new ATOM 0 HG SER A 2 -7.237 36.811 -3.508 1.00 35.23 H new ATOM 19 N SER A 3 -5.836 36.536 -0.024 1.00 33.25 N ATOM 20 CA SER A 3 -4.420 36.186 0.010 1.00 2.41 C ATOM 21 C SER A 3 -4.224 34.763 0.524 1.00 3.43 C ATOM 22 O SER A 3 -3.232 34.463 1.187 1.00 1.40 O ATOM 23 CB SER A 3 -3.652 37.170 0.894 1.00 15.34 C ATOM 24 OG SER A 3 -2.676 37.875 0.147 1.00 73.21 O ATOM 0 H SER A 3 -6.280 36.589 0.893 1.00 33.25 H new ATOM 0 HA SER A 3 -4.032 36.242 -1.007 1.00 2.41 H new ATOM 0 HB2 SER A 3 -4.348 37.876 1.346 1.00 15.34 H new ATOM 0 HB3 SER A 3 -3.170 36.631 1.710 1.00 15.34 H new ATOM 0 HG SER A 3 -2.201 38.498 0.735 1.00 73.21 H new ATOM 30 N GLY A 4 -5.178 33.891 0.212 1.00 34.33 N ATOM 31 CA GLY A 4 -5.092 32.510 0.649 1.00 23.32 C ATOM 32 C GLY A 4 -5.892 31.572 -0.231 1.00 53.12 C ATOM 33 O GLY A 4 -6.898 31.010 0.203 1.00 2.42 O ATOM 0 H GLY A 4 -6.009 34.116 -0.335 1.00 34.33 H new ATOM 0 HA2 GLY A 4 -4.048 32.198 0.652 1.00 23.32 H new ATOM 0 HA3 GLY A 4 -5.451 32.434 1.676 1.00 23.32 H new ATOM 37 N SER A 5 -5.447 31.402 -1.471 1.00 64.12 N ATOM 38 CA SER A 5 -6.133 30.529 -2.418 1.00 12.13 C ATOM 39 C SER A 5 -5.593 29.105 -2.332 1.00 10.14 C ATOM 40 O SER A 5 -5.730 28.321 -3.271 1.00 23.50 O ATOM 41 CB SER A 5 -5.975 31.062 -3.842 1.00 21.24 C ATOM 42 OG SER A 5 -5.877 32.476 -3.851 1.00 53.01 O ATOM 0 H SER A 5 -4.614 31.857 -1.845 1.00 64.12 H new ATOM 0 HA SER A 5 -7.192 30.514 -2.160 1.00 12.13 H new ATOM 0 HB2 SER A 5 -5.084 30.630 -4.298 1.00 21.24 H new ATOM 0 HB3 SER A 5 -6.826 30.750 -4.447 1.00 21.24 H new ATOM 0 HG SER A 5 -5.775 32.791 -4.773 1.00 53.01 H new ATOM 48 N SER A 6 -4.980 28.778 -1.200 1.00 10.04 N ATOM 49 CA SER A 6 -4.416 27.450 -0.991 1.00 23.30 C ATOM 50 C SER A 6 -3.933 27.285 0.446 1.00 71.55 C ATOM 51 O SER A 6 -4.133 28.160 1.285 1.00 30.34 O ATOM 52 CB SER A 6 -3.258 27.206 -1.962 1.00 51.21 C ATOM 53 OG SER A 6 -3.524 26.100 -2.807 1.00 52.54 O ATOM 0 H SER A 6 -4.861 29.415 -0.412 1.00 10.04 H new ATOM 0 HA SER A 6 -5.199 26.716 -1.179 1.00 23.30 H new ATOM 0 HB2 SER A 6 -3.093 28.098 -2.567 1.00 51.21 H new ATOM 0 HB3 SER A 6 -2.341 27.026 -1.401 1.00 51.21 H new ATOM 0 HG SER A 6 -2.770 25.967 -3.418 1.00 52.54 H new ATOM 59 N GLY A 7 -3.295 26.149 0.723 1.00 1.45 N ATOM 60 CA GLY A 7 -2.793 25.888 2.059 1.00 44.05 C ATOM 61 C GLY A 7 -1.500 25.098 2.048 1.00 3.22 C ATOM 62 O GLY A 7 -0.565 25.416 2.782 1.00 2.21 O ATOM 0 H GLY A 7 -3.118 25.407 0.046 1.00 1.45 H new ATOM 0 HA2 GLY A 7 -2.632 26.835 2.575 1.00 44.05 H new ATOM 0 HA3 GLY A 7 -3.545 25.340 2.626 1.00 44.05 H new ATOM 66 N GLU A 8 -1.447 24.064 1.214 1.00 22.31 N ATOM 67 CA GLU A 8 -0.258 23.225 1.113 1.00 44.14 C ATOM 68 C GLU A 8 0.211 23.117 -0.336 1.00 1.43 C ATOM 69 O GLU A 8 -0.477 23.528 -1.270 1.00 54.33 O ATOM 70 CB GLU A 8 -0.543 21.829 1.673 1.00 24.13 C ATOM 71 CG GLU A 8 -1.933 21.685 2.271 1.00 24.32 C ATOM 72 CD GLU A 8 -2.367 20.238 2.396 1.00 33.23 C ATOM 73 OE1 GLU A 8 -1.970 19.585 3.385 1.00 14.03 O ATOM 74 OE2 GLU A 8 -3.100 19.759 1.508 1.00 74.02 O ATOM 0 H GLU A 8 -2.212 23.787 0.599 1.00 22.31 H new ATOM 0 HA GLU A 8 0.534 23.690 1.700 1.00 44.14 H new ATOM 0 HB2 GLU A 8 -0.422 21.095 0.876 1.00 24.13 H new ATOM 0 HB3 GLU A 8 0.198 21.595 2.437 1.00 24.13 H new ATOM 0 HG2 GLU A 8 -1.951 22.152 3.256 1.00 24.32 H new ATOM 0 HG3 GLU A 8 -2.649 22.223 1.650 1.00 24.32 H new ATOM 82 N PRO A 9 1.413 22.554 -0.527 1.00 60.43 N ATOM 83 CA PRO A 9 2.002 22.379 -1.858 1.00 22.22 C ATOM 84 C PRO A 9 1.267 21.328 -2.684 1.00 25.04 C ATOM 85 O PRO A 9 0.139 20.955 -2.368 1.00 52.32 O ATOM 86 CB PRO A 9 3.430 21.920 -1.556 1.00 25.22 C ATOM 87 CG PRO A 9 3.347 21.284 -0.212 1.00 13.42 C ATOM 88 CD PRO A 9 2.288 22.042 0.540 1.00 20.44 C ATOM 0 HA PRO A 9 1.950 23.293 -2.450 1.00 22.22 H new ATOM 0 HB2 PRO A 9 3.786 21.214 -2.307 1.00 25.22 H new ATOM 0 HB3 PRO A 9 4.124 22.761 -1.554 1.00 25.22 H new ATOM 0 HG2 PRO A 9 3.087 20.229 -0.295 1.00 13.42 H new ATOM 0 HG3 PRO A 9 4.305 21.336 0.304 1.00 13.42 H new ATOM 0 HD2 PRO A 9 1.745 21.396 1.230 1.00 20.44 H new ATOM 0 HD3 PRO A 9 2.716 22.851 1.131 1.00 20.44 H new ATOM 96 N ALA A 10 1.917 20.855 -3.743 1.00 40.33 N ATOM 97 CA ALA A 10 1.325 19.846 -4.612 1.00 64.24 C ATOM 98 C ALA A 10 1.774 18.445 -4.211 1.00 32.43 C ATOM 99 O ALA A 10 1.188 17.450 -4.636 1.00 13.20 O ATOM 100 CB ALA A 10 1.688 20.122 -6.065 1.00 74.12 C ATOM 0 H ALA A 10 2.852 21.154 -4.019 1.00 40.33 H new ATOM 0 HA ALA A 10 0.242 19.898 -4.503 1.00 64.24 H new ATOM 0 HB1 ALA A 10 1.239 19.361 -6.703 1.00 74.12 H new ATOM 0 HB2 ALA A 10 1.313 21.104 -6.353 1.00 74.12 H new ATOM 0 HB3 ALA A 10 2.772 20.099 -6.180 1.00 74.12 H new ATOM 106 N GLU A 11 2.819 18.375 -3.393 1.00 11.33 N ATOM 107 CA GLU A 11 3.347 17.095 -2.935 1.00 34.12 C ATOM 108 C GLU A 11 2.592 16.603 -1.705 1.00 33.50 C ATOM 109 O GLU A 11 2.188 15.441 -1.635 1.00 11.41 O ATOM 110 CB GLU A 11 4.839 17.218 -2.616 1.00 50.22 C ATOM 111 CG GLU A 11 5.726 17.235 -3.850 1.00 11.32 C ATOM 112 CD GLU A 11 6.174 18.634 -4.227 1.00 61.33 C ATOM 113 OE1 GLU A 11 6.689 19.349 -3.343 1.00 60.21 O ATOM 114 OE2 GLU A 11 6.008 19.012 -5.405 1.00 22.01 O ATOM 0 H GLU A 11 3.317 19.189 -3.034 1.00 11.33 H new ATOM 0 HA GLU A 11 3.213 16.369 -3.736 1.00 34.12 H new ATOM 0 HB2 GLU A 11 5.006 18.132 -2.046 1.00 50.22 H new ATOM 0 HB3 GLU A 11 5.135 16.386 -1.977 1.00 50.22 H new ATOM 0 HG2 GLU A 11 6.603 16.613 -3.671 1.00 11.32 H new ATOM 0 HG3 GLU A 11 5.186 16.792 -4.687 1.00 11.32 H new ATOM 122 N ILE A 12 2.405 17.493 -0.736 1.00 24.52 N ATOM 123 CA ILE A 12 1.698 17.149 0.491 1.00 20.12 C ATOM 124 C ILE A 12 0.240 16.807 0.207 1.00 13.32 C ATOM 125 O ILE A 12 -0.240 15.733 0.570 1.00 21.13 O ATOM 126 CB ILE A 12 1.755 18.298 1.514 1.00 3.12 C ATOM 127 CG1 ILE A 12 3.208 18.628 1.865 1.00 34.43 C ATOM 128 CG2 ILE A 12 0.972 17.933 2.767 1.00 31.30 C ATOM 129 CD1 ILE A 12 3.354 19.829 2.773 1.00 62.01 C ATOM 0 H ILE A 12 2.733 18.458 -0.777 1.00 24.52 H new ATOM 0 HA ILE A 12 2.198 16.276 0.910 1.00 20.12 H new ATOM 0 HB ILE A 12 1.299 19.182 1.069 1.00 3.12 H new ATOM 0 HG12 ILE A 12 3.662 17.762 2.346 1.00 34.43 H new ATOM 0 HG13 ILE A 12 3.763 18.809 0.945 1.00 34.43 H new ATOM 0 HG21 ILE A 12 1.022 18.756 3.480 1.00 31.30 H new ATOM 0 HG22 ILE A 12 -0.069 17.744 2.504 1.00 31.30 H new ATOM 0 HG23 ILE A 12 1.401 17.037 3.216 1.00 31.30 H new ATOM 0 HD11 ILE A 12 4.410 20.003 2.979 1.00 62.01 H new ATOM 0 HD12 ILE A 12 2.930 20.707 2.286 1.00 62.01 H new ATOM 0 HD13 ILE A 12 2.828 19.643 3.709 1.00 62.01 H new ATOM 141 N LYS A 13 -0.462 17.728 -0.445 1.00 43.30 N ATOM 142 CA LYS A 13 -1.866 17.525 -0.781 1.00 34.11 C ATOM 143 C LYS A 13 -2.114 16.090 -1.235 1.00 41.30 C ATOM 144 O LYS A 13 -3.186 15.532 -1.001 1.00 72.15 O ATOM 145 CB LYS A 13 -2.295 18.499 -1.879 1.00 43.42 C ATOM 146 CG LYS A 13 -1.589 18.272 -3.205 1.00 55.11 C ATOM 147 CD LYS A 13 -2.331 18.935 -4.353 1.00 51.44 C ATOM 148 CE LYS A 13 -2.706 20.371 -4.019 1.00 52.42 C ATOM 149 NZ LYS A 13 -2.558 21.271 -5.197 1.00 10.01 N ATOM 0 H LYS A 13 -0.081 18.623 -0.751 1.00 43.30 H new ATOM 0 HA LYS A 13 -2.459 17.713 0.114 1.00 34.11 H new ATOM 0 HB2 LYS A 13 -3.371 18.411 -2.030 1.00 43.42 H new ATOM 0 HB3 LYS A 13 -2.102 19.518 -1.544 1.00 43.42 H new ATOM 0 HG2 LYS A 13 -0.574 18.667 -3.150 1.00 55.11 H new ATOM 0 HG3 LYS A 13 -1.505 17.202 -3.395 1.00 55.11 H new ATOM 0 HD2 LYS A 13 -1.708 18.919 -5.248 1.00 51.44 H new ATOM 0 HD3 LYS A 13 -3.232 18.366 -4.582 1.00 51.44 H new ATOM 0 HE2 LYS A 13 -3.736 20.404 -3.664 1.00 52.42 H new ATOM 0 HE3 LYS A 13 -2.076 20.731 -3.205 1.00 52.42 H new ATOM 0 HZ1 LYS A 13 -2.823 22.240 -4.929 1.00 10.01 H new ATOM 0 HZ2 LYS A 13 -1.570 21.259 -5.521 1.00 10.01 H new ATOM 0 HZ3 LYS A 13 -3.178 20.943 -5.965 1.00 10.01 H new ATOM 163 N ILE A 14 -1.118 15.498 -1.883 1.00 25.43 N ATOM 164 CA ILE A 14 -1.228 14.128 -2.368 1.00 62.31 C ATOM 165 C ILE A 14 -1.089 13.128 -1.225 1.00 13.21 C ATOM 166 O ILE A 14 -1.902 12.215 -1.083 1.00 53.22 O ATOM 167 CB ILE A 14 -0.161 13.820 -3.435 1.00 25.33 C ATOM 168 CG1 ILE A 14 -0.339 14.740 -4.644 1.00 23.35 C ATOM 169 CG2 ILE A 14 -0.240 12.360 -3.857 1.00 4.44 C ATOM 170 CD1 ILE A 14 0.744 14.582 -5.689 1.00 34.51 C ATOM 0 H ILE A 14 -0.224 15.946 -2.085 1.00 25.43 H new ATOM 0 HA ILE A 14 -2.217 14.031 -2.816 1.00 62.31 H new ATOM 0 HB ILE A 14 0.825 14.001 -3.006 1.00 25.33 H new ATOM 0 HG12 ILE A 14 -1.307 14.540 -5.103 1.00 23.35 H new ATOM 0 HG13 ILE A 14 -0.355 15.775 -4.303 1.00 23.35 H new ATOM 0 HG21 ILE A 14 0.520 12.158 -4.611 1.00 4.44 H new ATOM 0 HG22 ILE A 14 -0.070 11.721 -2.990 1.00 4.44 H new ATOM 0 HG23 ILE A 14 -1.227 12.154 -4.272 1.00 4.44 H new ATOM 0 HD11 ILE A 14 0.553 15.265 -6.517 1.00 34.51 H new ATOM 0 HD12 ILE A 14 1.713 14.811 -5.246 1.00 34.51 H new ATOM 0 HD13 ILE A 14 0.747 13.556 -6.058 1.00 34.51 H new ATOM 182 N ILE A 15 -0.054 13.309 -0.410 1.00 43.11 N ATOM 183 CA ILE A 15 0.189 12.424 0.723 1.00 51.01 C ATOM 184 C ILE A 15 -0.982 12.448 1.700 1.00 0.44 C ATOM 185 O ILE A 15 -1.289 11.443 2.342 1.00 60.21 O ATOM 186 CB ILE A 15 1.477 12.810 1.472 1.00 14.53 C ATOM 187 CG1 ILE A 15 2.656 12.886 0.501 1.00 74.22 C ATOM 188 CG2 ILE A 15 1.761 11.814 2.585 1.00 31.32 C ATOM 189 CD1 ILE A 15 3.775 13.786 0.975 1.00 14.12 C ATOM 0 H ILE A 15 0.629 14.060 -0.513 1.00 43.11 H new ATOM 0 HA ILE A 15 0.301 11.418 0.320 1.00 51.01 H new ATOM 0 HB ILE A 15 1.338 13.794 1.920 1.00 14.53 H new ATOM 0 HG12 ILE A 15 3.051 11.882 0.343 1.00 74.22 H new ATOM 0 HG13 ILE A 15 2.298 13.243 -0.464 1.00 74.22 H new ATOM 0 HG21 ILE A 15 2.675 12.101 3.105 1.00 31.32 H new ATOM 0 HG22 ILE A 15 0.929 11.808 3.289 1.00 31.32 H new ATOM 0 HG23 ILE A 15 1.883 10.818 2.160 1.00 31.32 H new ATOM 0 HD11 ILE A 15 4.576 13.791 0.236 1.00 14.12 H new ATOM 0 HD12 ILE A 15 3.396 14.800 1.106 1.00 14.12 H new ATOM 0 HD13 ILE A 15 4.160 13.417 1.926 1.00 14.12 H new ATOM 201 N ARG A 16 -1.634 13.601 1.806 1.00 42.25 N ATOM 202 CA ARG A 16 -2.771 13.757 2.705 1.00 24.12 C ATOM 203 C ARG A 16 -3.907 12.817 2.311 1.00 44.24 C ATOM 204 O ARG A 16 -4.386 12.031 3.127 1.00 64.31 O ATOM 205 CB ARG A 16 -3.265 15.205 2.691 1.00 14.22 C ATOM 206 CG ARG A 16 -2.725 16.043 3.837 1.00 15.01 C ATOM 207 CD ARG A 16 -3.847 16.588 4.706 1.00 43.51 C ATOM 208 NE ARG A 16 -3.461 16.671 6.112 1.00 4.41 N ATOM 209 CZ ARG A 16 -4.041 17.484 6.987 1.00 2.32 C ATOM 210 NH1 ARG A 16 -5.030 18.282 6.603 1.00 62.41 N ATOM 211 NH2 ARG A 16 -3.634 17.503 8.249 1.00 21.20 N ATOM 0 H ARG A 16 -1.394 14.441 1.280 1.00 42.25 H new ATOM 0 HA ARG A 16 -2.443 13.502 3.713 1.00 24.12 H new ATOM 0 HB2 ARG A 16 -2.979 15.669 1.747 1.00 14.22 H new ATOM 0 HB3 ARG A 16 -4.354 15.209 2.731 1.00 14.22 H new ATOM 0 HG2 ARG A 16 -2.053 15.438 4.446 1.00 15.01 H new ATOM 0 HG3 ARG A 16 -2.137 16.870 3.439 1.00 15.01 H new ATOM 0 HD2 ARG A 16 -4.133 17.578 4.350 1.00 43.51 H new ATOM 0 HD3 ARG A 16 -4.724 15.948 4.608 1.00 43.51 H new ATOM 0 HE ARG A 16 -2.704 16.071 6.440 1.00 4.41 H new ATOM 0 HH11 ARG A 16 -5.346 18.272 5.633 1.00 62.41 H new ATOM 0 HH12 ARG A 16 -5.474 18.905 7.278 1.00 62.41 H new ATOM 0 HH21 ARG A 16 -2.874 16.892 8.549 1.00 21.20 H new ATOM 0 HH22 ARG A 16 -4.081 18.128 8.920 1.00 21.20 H new ATOM 225 N GLU A 17 -4.333 12.906 1.054 1.00 73.31 N ATOM 226 CA GLU A 17 -5.413 12.064 0.554 1.00 43.02 C ATOM 227 C GLU A 17 -5.014 10.592 0.585 1.00 62.30 C ATOM 228 O GLU A 17 -5.722 9.757 1.147 1.00 35.01 O ATOM 229 CB GLU A 17 -5.788 12.472 -0.873 1.00 72.13 C ATOM 230 CG GLU A 17 -7.288 12.554 -1.108 1.00 23.30 C ATOM 231 CD GLU A 17 -7.699 11.983 -2.452 1.00 72.11 C ATOM 232 OE1 GLU A 17 -8.701 12.467 -3.019 1.00 63.10 O ATOM 233 OE2 GLU A 17 -7.020 11.053 -2.936 1.00 73.02 O ATOM 0 H GLU A 17 -3.947 13.552 0.365 1.00 73.31 H new ATOM 0 HA GLU A 17 -6.278 12.202 1.203 1.00 43.02 H new ATOM 0 HB2 GLU A 17 -5.340 13.441 -1.094 1.00 72.13 H new ATOM 0 HB3 GLU A 17 -5.358 11.755 -1.572 1.00 72.13 H new ATOM 0 HG2 GLU A 17 -7.806 12.016 -0.315 1.00 23.30 H new ATOM 0 HG3 GLU A 17 -7.605 13.595 -1.047 1.00 23.30 H new ATOM 241 N ALA A 18 -3.877 10.280 -0.027 1.00 20.35 N ATOM 242 CA ALA A 18 -3.382 8.909 -0.069 1.00 31.10 C ATOM 243 C ALA A 18 -3.300 8.312 1.332 1.00 70.15 C ATOM 244 O ALA A 18 -3.668 7.157 1.547 1.00 63.02 O ATOM 245 CB ALA A 18 -2.019 8.859 -0.746 1.00 43.25 C ATOM 0 H ALA A 18 -3.281 10.958 -0.501 1.00 20.35 H new ATOM 0 HA ALA A 18 -4.086 8.313 -0.650 1.00 31.10 H new ATOM 0 HB1 ALA A 18 -1.662 7.829 -0.770 1.00 43.25 H new ATOM 0 HB2 ALA A 18 -2.105 9.237 -1.765 1.00 43.25 H new ATOM 0 HB3 ALA A 18 -1.313 9.475 -0.189 1.00 43.25 H new ATOM 251 N TYR A 19 -2.815 9.105 2.281 1.00 42.44 N ATOM 252 CA TYR A 19 -2.682 8.653 3.660 1.00 15.32 C ATOM 253 C TYR A 19 -4.016 8.142 4.198 1.00 44.02 C ATOM 254 O TYR A 19 -4.058 7.219 5.012 1.00 65.51 O ATOM 255 CB TYR A 19 -2.166 9.790 4.544 1.00 11.12 C ATOM 256 CG TYR A 19 -2.158 9.454 6.019 1.00 1.43 C ATOM 257 CD1 TYR A 19 -1.323 8.464 6.522 1.00 0.14 C ATOM 258 CD2 TYR A 19 -2.985 10.130 6.908 1.00 13.10 C ATOM 259 CE1 TYR A 19 -1.314 8.156 7.867 1.00 34.34 C ATOM 260 CE2 TYR A 19 -2.980 9.828 8.256 1.00 52.35 C ATOM 261 CZ TYR A 19 -2.143 8.839 8.731 1.00 3.45 C ATOM 262 OH TYR A 19 -2.136 8.535 10.074 1.00 21.44 O ATOM 0 H TYR A 19 -2.508 10.064 2.120 1.00 42.44 H new ATOM 0 HA TYR A 19 -1.965 7.832 3.678 1.00 15.32 H new ATOM 0 HB2 TYR A 19 -1.154 10.050 4.234 1.00 11.12 H new ATOM 0 HB3 TYR A 19 -2.785 10.673 4.384 1.00 11.12 H new ATOM 0 HD1 TYR A 19 -0.671 7.927 5.850 1.00 0.14 H new ATOM 0 HD2 TYR A 19 -3.642 10.904 6.539 1.00 13.10 H new ATOM 0 HE1 TYR A 19 -0.660 7.383 8.241 1.00 34.34 H new ATOM 0 HE2 TYR A 19 -3.628 10.363 8.935 1.00 52.35 H new ATOM 0 HH TYR A 19 -2.777 9.109 10.543 1.00 21.44 H new ATOM 272 N LYS A 20 -5.104 8.748 3.734 1.00 23.23 N ATOM 273 CA LYS A 20 -6.440 8.356 4.165 1.00 22.00 C ATOM 274 C LYS A 20 -6.977 7.218 3.302 1.00 71.22 C ATOM 275 O LYS A 20 -7.137 6.090 3.772 1.00 52.43 O ATOM 276 CB LYS A 20 -7.392 9.552 4.097 1.00 15.23 C ATOM 277 CG LYS A 20 -8.073 9.861 5.419 1.00 53.34 C ATOM 278 CD LYS A 20 -9.278 10.767 5.228 1.00 53.22 C ATOM 279 CE LYS A 20 -10.569 9.966 5.141 1.00 33.13 C ATOM 280 NZ LYS A 20 -11.173 9.740 6.483 1.00 35.33 N ATOM 0 H LYS A 20 -5.086 9.513 3.059 1.00 23.23 H new ATOM 0 HA LYS A 20 -6.375 8.009 5.196 1.00 22.00 H new ATOM 0 HB2 LYS A 20 -6.836 10.431 3.770 1.00 15.23 H new ATOM 0 HB3 LYS A 20 -8.154 9.357 3.342 1.00 15.23 H new ATOM 0 HG2 LYS A 20 -8.387 8.931 5.893 1.00 53.34 H new ATOM 0 HG3 LYS A 20 -7.361 10.338 6.093 1.00 53.34 H new ATOM 0 HD2 LYS A 20 -9.340 11.471 6.058 1.00 53.22 H new ATOM 0 HD3 LYS A 20 -9.152 11.356 4.319 1.00 53.22 H new ATOM 0 HE2 LYS A 20 -11.281 10.493 4.506 1.00 33.13 H new ATOM 0 HE3 LYS A 20 -10.369 9.005 4.666 1.00 33.13 H new ATOM 0 HZ1 LYS A 20 -12.050 9.191 6.381 1.00 35.33 H new ATOM 0 HZ2 LYS A 20 -10.504 9.215 7.081 1.00 35.33 H new ATOM 0 HZ3 LYS A 20 -11.388 10.656 6.926 1.00 35.33 H new ATOM 294 N LYS A 21 -7.251 7.519 2.037 1.00 30.22 N ATOM 295 CA LYS A 21 -7.766 6.521 1.106 1.00 74.11 C ATOM 296 C LYS A 21 -7.099 5.168 1.334 1.00 11.02 C ATOM 297 O LYS A 21 -7.766 4.136 1.373 1.00 62.12 O ATOM 298 CB LYS A 21 -7.542 6.975 -0.337 1.00 75.40 C ATOM 299 CG LYS A 21 -8.125 8.344 -0.641 1.00 42.04 C ATOM 300 CD LYS A 21 -8.905 8.340 -1.946 1.00 1.21 C ATOM 301 CE LYS A 21 -9.886 9.500 -2.013 1.00 54.41 C ATOM 302 NZ LYS A 21 -10.171 9.907 -3.416 1.00 61.45 N ATOM 0 H LYS A 21 -7.125 8.447 1.633 1.00 30.22 H new ATOM 0 HA LYS A 21 -8.836 6.413 1.284 1.00 74.11 H new ATOM 0 HB2 LYS A 21 -6.472 6.992 -0.542 1.00 75.40 H new ATOM 0 HB3 LYS A 21 -7.985 6.243 -1.012 1.00 75.40 H new ATOM 0 HG2 LYS A 21 -8.780 8.651 0.175 1.00 42.04 H new ATOM 0 HG3 LYS A 21 -7.321 9.078 -0.698 1.00 42.04 H new ATOM 0 HD2 LYS A 21 -8.212 8.399 -2.785 1.00 1.21 H new ATOM 0 HD3 LYS A 21 -9.446 7.399 -2.045 1.00 1.21 H new ATOM 0 HE2 LYS A 21 -10.817 9.217 -1.521 1.00 54.41 H new ATOM 0 HE3 LYS A 21 -9.481 10.350 -1.464 1.00 54.41 H new ATOM 0 HZ1 LYS A 21 -9.772 10.851 -3.592 1.00 61.45 H new ATOM 0 HZ2 LYS A 21 -9.741 9.222 -4.070 1.00 61.45 H new ATOM 0 HZ3 LYS A 21 -11.200 9.932 -3.568 1.00 61.45 H new ATOM 316 N ALA A 22 -5.779 5.182 1.486 1.00 4.32 N ATOM 317 CA ALA A 22 -5.022 3.957 1.714 1.00 11.35 C ATOM 318 C ALA A 22 -5.501 3.244 2.974 1.00 31.34 C ATOM 319 O ALA A 22 -5.870 2.070 2.931 1.00 41.45 O ATOM 320 CB ALA A 22 -3.536 4.267 1.812 1.00 61.35 C ATOM 0 H ALA A 22 -5.211 6.029 1.455 1.00 4.32 H new ATOM 0 HA ALA A 22 -5.188 3.292 0.867 1.00 11.35 H new ATOM 0 HB1 ALA A 22 -2.982 3.344 1.982 1.00 61.35 H new ATOM 0 HB2 ALA A 22 -3.198 4.727 0.883 1.00 61.35 H new ATOM 0 HB3 ALA A 22 -3.361 4.953 2.641 1.00 61.35 H new ATOM 326 N PHE A 23 -5.489 3.959 4.094 1.00 70.45 N ATOM 327 CA PHE A 23 -5.920 3.391 5.367 1.00 34.33 C ATOM 328 C PHE A 23 -7.429 3.165 5.379 1.00 43.13 C ATOM 329 O PHE A 23 -7.957 2.470 6.247 1.00 51.15 O ATOM 330 CB PHE A 23 -5.522 4.314 6.521 1.00 13.24 C ATOM 331 CG PHE A 23 -4.323 3.831 7.288 1.00 2.40 C ATOM 332 CD1 PHE A 23 -4.359 2.621 7.964 1.00 40.24 C ATOM 333 CD2 PHE A 23 -3.163 4.586 7.334 1.00 55.50 C ATOM 334 CE1 PHE A 23 -3.259 2.175 8.671 1.00 1.12 C ATOM 335 CE2 PHE A 23 -2.060 4.144 8.040 1.00 25.11 C ATOM 336 CZ PHE A 23 -2.107 2.937 8.708 1.00 74.13 C ATOM 0 H PHE A 23 -5.186 4.932 4.147 1.00 70.45 H new ATOM 0 HA PHE A 23 -5.425 2.428 5.493 1.00 34.33 H new ATOM 0 HB2 PHE A 23 -5.314 5.308 6.126 1.00 13.24 H new ATOM 0 HB3 PHE A 23 -6.365 4.413 7.205 1.00 13.24 H new ATOM 0 HD1 PHE A 23 -5.256 2.021 7.938 1.00 40.24 H new ATOM 0 HD2 PHE A 23 -3.120 5.531 6.812 1.00 55.50 H new ATOM 0 HE1 PHE A 23 -3.300 1.231 9.194 1.00 1.12 H new ATOM 0 HE2 PHE A 23 -1.162 4.743 8.069 1.00 25.11 H new ATOM 0 HZ PHE A 23 -1.245 2.589 9.258 1.00 74.13 H new ATOM 346 N LEU A 24 -8.117 3.758 4.409 1.00 33.13 N ATOM 347 CA LEU A 24 -9.566 3.624 4.307 1.00 64.15 C ATOM 348 C LEU A 24 -9.945 2.295 3.660 1.00 24.23 C ATOM 349 O LEU A 24 -10.729 1.525 4.212 1.00 73.31 O ATOM 350 CB LEU A 24 -10.150 4.783 3.498 1.00 1.33 C ATOM 351 CG LEU A 24 -11.229 4.415 2.479 1.00 34.01 C ATOM 352 CD1 LEU A 24 -12.461 3.866 3.182 1.00 33.20 C ATOM 353 CD2 LEU A 24 -11.593 5.622 1.628 1.00 63.24 C ATOM 0 H LEU A 24 -7.695 4.336 3.682 1.00 33.13 H new ATOM 0 HA LEU A 24 -9.980 3.648 5.315 1.00 64.15 H new ATOM 0 HB2 LEU A 24 -10.569 5.510 4.194 1.00 1.33 H new ATOM 0 HB3 LEU A 24 -9.335 5.279 2.971 1.00 1.33 H new ATOM 0 HG LEU A 24 -10.833 3.639 1.823 1.00 34.01 H new ATOM 0 HD11 LEU A 24 -13.218 3.609 2.441 1.00 33.20 H new ATOM 0 HD12 LEU A 24 -12.190 2.975 3.748 1.00 33.20 H new ATOM 0 HD13 LEU A 24 -12.859 4.620 3.861 1.00 33.20 H new ATOM 0 HD21 LEU A 24 -12.362 5.341 0.909 1.00 63.24 H new ATOM 0 HD22 LEU A 24 -11.969 6.419 2.269 1.00 63.24 H new ATOM 0 HD23 LEU A 24 -10.709 5.972 1.096 1.00 63.24 H new ATOM 365 N PHE A 25 -9.380 2.033 2.485 1.00 51.34 N ATOM 366 CA PHE A 25 -9.658 0.797 1.762 1.00 4.12 C ATOM 367 C PHE A 25 -9.078 -0.405 2.500 1.00 0.01 C ATOM 368 O PHE A 25 -9.483 -1.545 2.267 1.00 22.01 O ATOM 369 CB PHE A 25 -9.081 0.869 0.347 1.00 32.33 C ATOM 370 CG PHE A 25 -10.034 1.442 -0.662 1.00 35.35 C ATOM 371 CD1 PHE A 25 -10.086 2.808 -0.887 1.00 52.14 C ATOM 372 CD2 PHE A 25 -10.878 0.614 -1.385 1.00 0.44 C ATOM 373 CE1 PHE A 25 -10.963 3.339 -1.814 1.00 73.43 C ATOM 374 CE2 PHE A 25 -11.757 1.138 -2.314 1.00 3.45 C ATOM 375 CZ PHE A 25 -11.799 2.503 -2.530 1.00 33.24 C ATOM 0 H PHE A 25 -8.728 2.660 2.014 1.00 51.34 H new ATOM 0 HA PHE A 25 -10.739 0.676 1.700 1.00 4.12 H new ATOM 0 HB2 PHE A 25 -8.175 1.475 0.363 1.00 32.33 H new ATOM 0 HB3 PHE A 25 -8.789 -0.133 0.031 1.00 32.33 H new ATOM 0 HD1 PHE A 25 -9.434 3.466 -0.332 1.00 52.14 H new ATOM 0 HD2 PHE A 25 -10.849 -0.453 -1.221 1.00 0.44 H new ATOM 0 HE1 PHE A 25 -10.995 4.406 -1.979 1.00 73.43 H new ATOM 0 HE2 PHE A 25 -12.410 0.482 -2.870 1.00 3.45 H new ATOM 0 HZ PHE A 25 -12.484 2.915 -3.257 1.00 33.24 H new ATOM 385 N VAL A 26 -8.128 -0.144 3.392 1.00 12.21 N ATOM 386 CA VAL A 26 -7.493 -1.204 4.165 1.00 72.41 C ATOM 387 C VAL A 26 -8.402 -1.685 5.290 1.00 20.21 C ATOM 388 O VAL A 26 -8.647 -2.882 5.436 1.00 43.22 O ATOM 389 CB VAL A 26 -6.154 -0.735 4.767 1.00 52.23 C ATOM 390 CG1 VAL A 26 -5.650 -1.738 5.794 1.00 2.22 C ATOM 391 CG2 VAL A 26 -5.123 -0.520 3.670 1.00 63.23 C ATOM 0 H VAL A 26 -7.781 0.793 3.597 1.00 12.21 H new ATOM 0 HA VAL A 26 -7.305 -2.028 3.477 1.00 72.41 H new ATOM 0 HB VAL A 26 -6.317 0.217 5.273 1.00 52.23 H new ATOM 0 HG11 VAL A 26 -4.704 -1.390 6.208 1.00 2.22 H new ATOM 0 HG12 VAL A 26 -6.382 -1.837 6.595 1.00 2.22 H new ATOM 0 HG13 VAL A 26 -5.502 -2.706 5.315 1.00 2.22 H new ATOM 0 HG21 VAL A 26 -4.184 -0.189 4.113 1.00 63.23 H new ATOM 0 HG22 VAL A 26 -4.962 -1.455 3.134 1.00 63.23 H new ATOM 0 HG23 VAL A 26 -5.484 0.239 2.975 1.00 63.23 H new ATOM 401 N ASN A 27 -8.902 -0.743 6.083 1.00 73.40 N ATOM 402 CA ASN A 27 -9.785 -1.070 7.196 1.00 2.32 C ATOM 403 C ASN A 27 -10.974 -1.900 6.721 1.00 15.24 C ATOM 404 O ASN A 27 -11.668 -2.526 7.522 1.00 34.43 O ATOM 405 CB ASN A 27 -10.280 0.209 7.875 1.00 43.20 C ATOM 406 CG ASN A 27 -10.912 -0.061 9.226 1.00 52.43 C ATOM 407 OD1 ASN A 27 -12.135 -0.095 9.357 1.00 43.53 O ATOM 408 ND2 ASN A 27 -10.078 -0.254 10.241 1.00 2.13 N ATOM 0 H ASN A 27 -8.711 0.253 5.975 1.00 73.40 H new ATOM 0 HA ASN A 27 -9.218 -1.659 7.916 1.00 2.32 H new ATOM 0 HB2 ASN A 27 -9.444 0.898 7.999 1.00 43.20 H new ATOM 0 HB3 ASN A 27 -11.007 0.702 7.229 1.00 43.20 H new ATOM 0 HD21 ASN A 27 -10.445 -0.439 11.174 1.00 2.13 H new ATOM 0 HD22 ASN A 27 -9.070 -0.217 10.087 1.00 2.13 H new ATOM 415 N LYS A 28 -11.203 -1.901 5.413 1.00 30.42 N ATOM 416 CA LYS A 28 -12.305 -2.655 4.830 1.00 63.31 C ATOM 417 C LYS A 28 -11.902 -4.105 4.580 1.00 10.23 C ATOM 418 O LYS A 28 -12.666 -5.028 4.857 1.00 74.44 O ATOM 419 CB LYS A 28 -12.754 -2.008 3.517 1.00 0.24 C ATOM 420 CG LYS A 28 -13.816 -0.937 3.700 1.00 62.32 C ATOM 421 CD LYS A 28 -13.508 0.301 2.874 1.00 62.22 C ATOM 422 CE LYS A 28 -14.777 1.046 2.493 1.00 40.45 C ATOM 423 NZ LYS A 28 -15.512 1.540 3.691 1.00 63.42 N ATOM 0 H LYS A 28 -10.639 -1.387 4.736 1.00 30.42 H new ATOM 0 HA LYS A 28 -13.134 -2.643 5.538 1.00 63.31 H new ATOM 0 HB2 LYS A 28 -11.887 -1.568 3.023 1.00 0.24 H new ATOM 0 HB3 LYS A 28 -13.140 -2.782 2.854 1.00 0.24 H new ATOM 0 HG2 LYS A 28 -14.789 -1.335 3.412 1.00 62.32 H new ATOM 0 HG3 LYS A 28 -13.882 -0.665 4.754 1.00 62.32 H new ATOM 0 HD2 LYS A 28 -12.852 0.963 3.439 1.00 62.22 H new ATOM 0 HD3 LYS A 28 -12.969 0.013 1.971 1.00 62.22 H new ATOM 0 HE2 LYS A 28 -14.524 1.889 1.849 1.00 40.45 H new ATOM 0 HE3 LYS A 28 -15.425 0.387 1.915 1.00 40.45 H new ATOM 0 HZ1 LYS A 28 -16.334 2.100 3.387 1.00 63.42 H new ATOM 0 HZ2 LYS A 28 -15.835 0.730 4.258 1.00 63.42 H new ATOM 0 HZ3 LYS A 28 -14.881 2.135 4.265 1.00 63.42 H new ATOM 437 N GLY A 29 -10.695 -4.297 4.058 1.00 22.11 N ATOM 438 CA GLY A 29 -10.210 -5.637 3.781 1.00 33.12 C ATOM 439 C GLY A 29 -10.006 -6.452 5.044 1.00 2.22 C ATOM 440 O GLY A 29 -10.390 -7.620 5.106 1.00 15.30 O ATOM 0 H GLY A 29 -10.044 -3.548 3.822 1.00 22.11 H new ATOM 0 HA2 GLY A 29 -10.919 -6.150 3.132 1.00 33.12 H new ATOM 0 HA3 GLY A 29 -9.268 -5.574 3.237 1.00 33.12 H new ATOM 444 N LEU A 30 -9.401 -5.835 6.053 1.00 52.23 N ATOM 445 CA LEU A 30 -9.146 -6.509 7.320 1.00 74.32 C ATOM 446 C LEU A 30 -10.430 -7.107 7.888 1.00 20.21 C ATOM 447 O LEU A 30 -10.443 -8.245 8.355 1.00 12.23 O ATOM 448 CB LEU A 30 -8.536 -5.533 8.328 1.00 13.51 C ATOM 449 CG LEU A 30 -7.011 -5.431 8.325 1.00 22.43 C ATOM 450 CD1 LEU A 30 -6.551 -4.273 9.196 1.00 3.21 C ATOM 451 CD2 LEU A 30 -6.388 -6.737 8.799 1.00 15.21 C ATOM 0 H LEU A 30 -9.078 -4.868 6.018 1.00 52.23 H new ATOM 0 HA LEU A 30 -8.440 -7.319 7.135 1.00 74.32 H new ATOM 0 HB2 LEU A 30 -8.947 -4.541 8.138 1.00 13.51 H new ATOM 0 HB3 LEU A 30 -8.859 -5.825 9.327 1.00 13.51 H new ATOM 0 HG LEU A 30 -6.681 -5.243 7.303 1.00 22.43 H new ATOM 0 HD11 LEU A 30 -5.463 -4.217 9.181 1.00 3.21 H new ATOM 0 HD12 LEU A 30 -6.968 -3.342 8.813 1.00 3.21 H new ATOM 0 HD13 LEU A 30 -6.892 -4.429 10.219 1.00 3.21 H new ATOM 0 HD21 LEU A 30 -5.302 -6.646 8.790 1.00 15.21 H new ATOM 0 HD22 LEU A 30 -6.726 -6.955 9.812 1.00 15.21 H new ATOM 0 HD23 LEU A 30 -6.690 -7.546 8.134 1.00 15.21 H new ATOM 463 N ASN A 31 -11.508 -6.332 7.839 1.00 71.50 N ATOM 464 CA ASN A 31 -12.799 -6.785 8.346 1.00 14.01 C ATOM 465 C ASN A 31 -13.280 -8.018 7.587 1.00 51.03 C ATOM 466 O ASN A 31 -13.362 -9.113 8.145 1.00 25.55 O ATOM 467 CB ASN A 31 -13.836 -5.666 8.235 1.00 71.42 C ATOM 468 CG ASN A 31 -14.915 -5.769 9.296 1.00 24.44 C ATOM 469 OD1 ASN A 31 -14.643 -5.631 10.488 1.00 32.54 O ATOM 470 ND2 ASN A 31 -16.147 -6.013 8.864 1.00 13.31 N ATOM 0 H ASN A 31 -11.514 -5.388 7.454 1.00 71.50 H new ATOM 0 HA ASN A 31 -12.675 -7.052 9.395 1.00 14.01 H new ATOM 0 HB2 ASN A 31 -13.336 -4.701 8.322 1.00 71.42 H new ATOM 0 HB3 ASN A 31 -14.297 -5.698 7.248 1.00 71.42 H new ATOM 0 HD21 ASN A 31 -16.915 -6.093 9.531 1.00 13.31 H new ATOM 0 HD22 ASN A 31 -16.325 -6.120 7.865 1.00 13.31 H new ATOM 477 N THR A 32 -13.596 -7.832 6.309 1.00 62.30 N ATOM 478 CA THR A 32 -14.068 -8.928 5.472 1.00 12.04 C ATOM 479 C THR A 32 -13.373 -10.236 5.833 1.00 51.33 C ATOM 480 O THR A 32 -14.013 -11.185 6.287 1.00 53.53 O ATOM 481 CB THR A 32 -13.838 -8.634 3.977 1.00 33.55 C ATOM 482 OG1 THR A 32 -12.690 -7.792 3.815 1.00 40.22 O ATOM 483 CG2 THR A 32 -15.056 -7.960 3.364 1.00 73.35 C ATOM 0 H THR A 32 -13.534 -6.933 5.831 1.00 62.30 H new ATOM 0 HA THR A 32 -15.138 -9.026 5.655 1.00 12.04 H new ATOM 0 HB THR A 32 -13.670 -9.581 3.465 1.00 33.55 H new ATOM 0 HG1 THR A 32 -11.994 -8.063 4.449 1.00 40.22 H new ATOM 0 HG21 THR A 32 -14.870 -7.762 2.308 1.00 73.35 H new ATOM 0 HG22 THR A 32 -15.922 -8.614 3.463 1.00 73.35 H new ATOM 0 HG23 THR A 32 -15.250 -7.020 3.880 1.00 73.35 H new ATOM 491 N ASP A 33 -12.062 -10.279 5.631 1.00 13.24 N ATOM 492 CA ASP A 33 -11.279 -11.471 5.938 1.00 70.04 C ATOM 493 C ASP A 33 -11.790 -12.144 7.208 1.00 22.31 C ATOM 494 O ASP A 33 -11.915 -13.366 7.266 1.00 64.43 O ATOM 495 CB ASP A 33 -9.800 -11.109 6.096 1.00 74.15 C ATOM 496 CG ASP A 33 -8.929 -12.328 6.327 1.00 61.13 C ATOM 497 OD1 ASP A 33 -8.195 -12.350 7.337 1.00 75.15 O ATOM 498 OD2 ASP A 33 -8.981 -13.261 5.498 1.00 3.34 O ATOM 0 H ASP A 33 -11.518 -9.502 5.256 1.00 13.24 H new ATOM 0 HA ASP A 33 -11.387 -12.171 5.109 1.00 70.04 H new ATOM 0 HB2 ASP A 33 -9.459 -10.586 5.202 1.00 74.15 H new ATOM 0 HB3 ASP A 33 -9.685 -10.419 6.932 1.00 74.15 H new ATOM 504 N GLU A 34 -12.082 -11.337 8.223 1.00 25.41 N ATOM 505 CA GLU A 34 -12.575 -11.856 9.493 1.00 54.41 C ATOM 506 C GLU A 34 -13.958 -12.482 9.324 1.00 72.41 C ATOM 507 O GLU A 34 -14.245 -13.541 9.882 1.00 34.44 O ATOM 508 CB GLU A 34 -12.635 -10.739 10.538 1.00 64.01 C ATOM 509 CG GLU A 34 -14.049 -10.349 10.933 1.00 61.15 C ATOM 510 CD GLU A 34 -14.083 -9.365 12.085 1.00 53.11 C ATOM 511 OE1 GLU A 34 -13.833 -8.166 11.847 1.00 12.52 O ATOM 512 OE2 GLU A 34 -14.358 -9.795 13.225 1.00 44.52 O ATOM 0 H GLU A 34 -11.986 -10.322 8.191 1.00 25.41 H new ATOM 0 HA GLU A 34 -11.884 -12.627 9.834 1.00 54.41 H new ATOM 0 HB2 GLU A 34 -12.093 -11.057 11.429 1.00 64.01 H new ATOM 0 HB3 GLU A 34 -12.121 -9.861 10.148 1.00 64.01 H new ATOM 0 HG2 GLU A 34 -14.555 -9.912 10.072 1.00 61.15 H new ATOM 0 HG3 GLU A 34 -14.605 -11.245 11.209 1.00 61.15 H new ATOM 520 N LEU A 35 -14.809 -11.820 8.548 1.00 12.43 N ATOM 521 CA LEU A 35 -16.161 -12.311 8.304 1.00 53.51 C ATOM 522 C LEU A 35 -16.139 -13.554 7.420 1.00 2.35 C ATOM 523 O LEU A 35 -17.009 -14.416 7.521 1.00 74.33 O ATOM 524 CB LEU A 35 -17.011 -11.220 7.649 1.00 41.20 C ATOM 525 CG LEU A 35 -17.358 -10.021 8.530 1.00 11.24 C ATOM 526 CD1 LEU A 35 -17.437 -10.437 9.991 1.00 14.35 C ATOM 527 CD2 LEU A 35 -16.336 -8.908 8.345 1.00 51.15 C ATOM 0 H LEU A 35 -14.587 -10.943 8.077 1.00 12.43 H new ATOM 0 HA LEU A 35 -16.602 -12.579 9.264 1.00 53.51 H new ATOM 0 HB2 LEU A 35 -16.483 -10.857 6.767 1.00 41.20 H new ATOM 0 HB3 LEU A 35 -17.940 -11.671 7.301 1.00 41.20 H new ATOM 0 HG LEU A 35 -18.335 -9.644 8.227 1.00 11.24 H new ATOM 0 HD11 LEU A 35 -17.685 -9.570 10.603 1.00 14.35 H new ATOM 0 HD12 LEU A 35 -18.207 -11.199 10.111 1.00 14.35 H new ATOM 0 HD13 LEU A 35 -16.475 -10.841 10.307 1.00 14.35 H new ATOM 0 HD21 LEU A 35 -16.600 -8.063 8.980 1.00 51.15 H new ATOM 0 HD22 LEU A 35 -15.346 -9.273 8.619 1.00 51.15 H new ATOM 0 HD23 LEU A 35 -16.329 -8.590 7.302 1.00 51.15 H new ATOM 539 N GLY A 36 -15.135 -13.637 6.553 1.00 62.33 N ATOM 540 CA GLY A 36 -15.015 -14.779 5.664 1.00 25.21 C ATOM 541 C GLY A 36 -14.983 -14.376 4.203 1.00 52.32 C ATOM 542 O GLY A 36 -14.733 -15.205 3.330 1.00 21.42 O ATOM 0 H GLY A 36 -14.403 -12.935 6.450 1.00 62.33 H new ATOM 0 HA2 GLY A 36 -14.106 -15.330 5.906 1.00 25.21 H new ATOM 0 HA3 GLY A 36 -15.852 -15.456 5.833 1.00 25.21 H new ATOM 546 N GLN A 37 -15.237 -13.099 3.938 1.00 4.40 N ATOM 547 CA GLN A 37 -15.238 -12.588 2.571 1.00 74.35 C ATOM 548 C GLN A 37 -13.814 -12.369 2.071 1.00 41.25 C ATOM 549 O GLN A 37 -13.309 -11.246 2.075 1.00 51.45 O ATOM 550 CB GLN A 37 -16.025 -11.280 2.494 1.00 51.24 C ATOM 551 CG GLN A 37 -17.065 -11.128 3.593 1.00 53.24 C ATOM 552 CD GLN A 37 -18.019 -9.978 3.341 1.00 0.51 C ATOM 553 OE1 GLN A 37 -18.039 -9.399 2.253 1.00 73.21 O ATOM 554 NE2 GLN A 37 -18.816 -9.638 4.346 1.00 62.24 N ATOM 0 H GLN A 37 -15.445 -12.399 4.650 1.00 4.40 H new ATOM 0 HA GLN A 37 -15.718 -13.330 1.933 1.00 74.35 H new ATOM 0 HB2 GLN A 37 -15.328 -10.443 2.547 1.00 51.24 H new ATOM 0 HB3 GLN A 37 -16.521 -11.221 1.525 1.00 51.24 H new ATOM 0 HG2 GLN A 37 -17.634 -12.054 3.680 1.00 53.24 H new ATOM 0 HG3 GLN A 37 -16.560 -10.973 4.546 1.00 53.24 H new ATOM 0 HE21 GLN A 37 -18.766 -10.144 5.230 1.00 62.24 H new ATOM 0 HE22 GLN A 37 -19.478 -8.870 4.234 1.00 62.24 H new ATOM 563 N LYS A 38 -13.170 -13.449 1.642 1.00 73.11 N ATOM 564 CA LYS A 38 -11.805 -13.375 1.138 1.00 73.54 C ATOM 565 C LYS A 38 -11.752 -12.615 -0.184 1.00 33.21 C ATOM 566 O LYS A 38 -10.897 -11.752 -0.379 1.00 62.44 O ATOM 567 CB LYS A 38 -11.232 -14.783 0.952 1.00 45.22 C ATOM 568 CG LYS A 38 -11.485 -15.705 2.132 1.00 5.54 C ATOM 569 CD LYS A 38 -10.866 -15.160 3.408 1.00 61.11 C ATOM 570 CE LYS A 38 -10.988 -16.151 4.555 1.00 44.43 C ATOM 571 NZ LYS A 38 -12.137 -17.080 4.364 1.00 61.20 N ATOM 0 H LYS A 38 -13.572 -14.386 1.634 1.00 73.11 H new ATOM 0 HA LYS A 38 -11.203 -12.837 1.870 1.00 73.54 H new ATOM 0 HB2 LYS A 38 -11.666 -15.227 0.056 1.00 45.22 H new ATOM 0 HB3 LYS A 38 -10.158 -14.709 0.783 1.00 45.22 H new ATOM 0 HG2 LYS A 38 -12.558 -15.831 2.272 1.00 5.54 H new ATOM 0 HG3 LYS A 38 -11.073 -16.691 1.919 1.00 5.54 H new ATOM 0 HD2 LYS A 38 -9.815 -14.931 3.234 1.00 61.11 H new ATOM 0 HD3 LYS A 38 -11.355 -14.225 3.680 1.00 61.11 H new ATOM 0 HE2 LYS A 38 -10.066 -16.726 4.638 1.00 44.43 H new ATOM 0 HE3 LYS A 38 -11.111 -15.609 5.492 1.00 44.43 H new ATOM 0 HZ1 LYS A 38 -12.303 -17.612 5.242 1.00 61.20 H new ATOM 0 HZ2 LYS A 38 -12.989 -16.534 4.124 1.00 61.20 H new ATOM 0 HZ3 LYS A 38 -11.923 -17.743 3.592 1.00 61.20 H new ATOM 585 N GLU A 39 -12.673 -12.942 -1.086 1.00 1.44 N ATOM 586 CA GLU A 39 -12.729 -12.288 -2.387 1.00 45.44 C ATOM 587 C GLU A 39 -12.632 -10.772 -2.240 1.00 34.01 C ATOM 588 O GLU A 39 -11.667 -10.156 -2.691 1.00 54.25 O ATOM 589 CB GLU A 39 -14.026 -12.658 -3.113 1.00 72.41 C ATOM 590 CG GLU A 39 -14.521 -14.059 -2.795 1.00 63.54 C ATOM 591 CD GLU A 39 -15.233 -14.705 -3.968 1.00 55.52 C ATOM 592 OE1 GLU A 39 -16.466 -14.537 -4.077 1.00 44.33 O ATOM 593 OE2 GLU A 39 -14.560 -15.379 -4.773 1.00 23.10 O ATOM 0 H GLU A 39 -13.388 -13.654 -0.939 1.00 1.44 H new ATOM 0 HA GLU A 39 -11.879 -12.634 -2.975 1.00 45.44 H new ATOM 0 HB2 GLU A 39 -14.800 -11.939 -2.846 1.00 72.41 H new ATOM 0 HB3 GLU A 39 -13.868 -12.572 -4.188 1.00 72.41 H new ATOM 0 HG2 GLU A 39 -13.676 -14.681 -2.500 1.00 63.54 H new ATOM 0 HG3 GLU A 39 -15.198 -14.016 -1.942 1.00 63.54 H new ATOM 601 N GLU A 40 -13.640 -10.179 -1.606 1.00 74.31 N ATOM 602 CA GLU A 40 -13.667 -8.736 -1.400 1.00 43.45 C ATOM 603 C GLU A 40 -12.386 -8.257 -0.726 1.00 23.15 C ATOM 604 O GLU A 40 -11.893 -7.165 -1.010 1.00 62.21 O ATOM 605 CB GLU A 40 -14.881 -8.343 -0.554 1.00 24.14 C ATOM 606 CG GLU A 40 -15.936 -7.568 -1.325 1.00 70.44 C ATOM 607 CD GLU A 40 -16.902 -6.833 -0.415 1.00 33.50 C ATOM 608 OE1 GLU A 40 -17.080 -7.275 0.740 1.00 62.23 O ATOM 609 OE2 GLU A 40 -17.477 -5.819 -0.857 1.00 44.54 O ATOM 0 H GLU A 40 -14.447 -10.675 -1.227 1.00 74.31 H new ATOM 0 HA GLU A 40 -13.742 -8.257 -2.376 1.00 43.45 H new ATOM 0 HB2 GLU A 40 -15.334 -9.245 -0.142 1.00 24.14 H new ATOM 0 HB3 GLU A 40 -14.545 -7.741 0.290 1.00 24.14 H new ATOM 0 HG2 GLU A 40 -15.446 -6.851 -1.983 1.00 70.44 H new ATOM 0 HG3 GLU A 40 -16.494 -8.255 -1.961 1.00 70.44 H new ATOM 617 N ALA A 41 -11.852 -9.081 0.169 1.00 71.12 N ATOM 618 CA ALA A 41 -10.626 -8.743 0.884 1.00 62.24 C ATOM 619 C ALA A 41 -9.457 -8.574 -0.082 1.00 53.13 C ATOM 620 O ALA A 41 -8.937 -7.472 -0.254 1.00 22.24 O ATOM 621 CB ALA A 41 -10.307 -9.813 1.918 1.00 4.33 C ATOM 0 H ALA A 41 -12.248 -9.988 0.417 1.00 71.12 H new ATOM 0 HA ALA A 41 -10.782 -7.793 1.395 1.00 62.24 H new ATOM 0 HB1 ALA A 41 -9.390 -9.548 2.444 1.00 4.33 H new ATOM 0 HB2 ALA A 41 -11.127 -9.885 2.632 1.00 4.33 H new ATOM 0 HB3 ALA A 41 -10.175 -10.773 1.419 1.00 4.33 H new ATOM 627 N LYS A 42 -9.050 -9.672 -0.710 1.00 13.32 N ATOM 628 CA LYS A 42 -7.943 -9.644 -1.658 1.00 73.33 C ATOM 629 C LYS A 42 -8.034 -8.423 -2.566 1.00 4.40 C ATOM 630 O LYS A 42 -7.018 -7.839 -2.940 1.00 54.41 O ATOM 631 CB LYS A 42 -7.936 -10.922 -2.501 1.00 44.33 C ATOM 632 CG LYS A 42 -7.479 -12.153 -1.738 1.00 15.24 C ATOM 633 CD LYS A 42 -8.408 -13.331 -1.972 1.00 13.30 C ATOM 634 CE LYS A 42 -8.165 -13.973 -3.329 1.00 12.11 C ATOM 635 NZ LYS A 42 -9.324 -13.791 -4.244 1.00 62.05 N ATOM 0 H LYS A 42 -9.470 -10.592 -0.579 1.00 13.32 H new ATOM 0 HA LYS A 42 -7.013 -9.584 -1.092 1.00 73.33 H new ATOM 0 HB2 LYS A 42 -8.940 -11.097 -2.888 1.00 44.33 H new ATOM 0 HB3 LYS A 42 -7.283 -10.776 -3.362 1.00 44.33 H new ATOM 0 HG2 LYS A 42 -6.468 -12.419 -2.047 1.00 15.24 H new ATOM 0 HG3 LYS A 42 -7.438 -11.927 -0.672 1.00 15.24 H new ATOM 0 HD2 LYS A 42 -8.262 -14.072 -1.186 1.00 13.30 H new ATOM 0 HD3 LYS A 42 -9.444 -12.997 -1.907 1.00 13.30 H new ATOM 0 HE2 LYS A 42 -7.273 -13.539 -3.782 1.00 12.11 H new ATOM 0 HE3 LYS A 42 -7.970 -15.037 -3.197 1.00 12.11 H new ATOM 0 HZ1 LYS A 42 -9.119 -14.243 -5.158 1.00 62.05 H new ATOM 0 HZ2 LYS A 42 -10.170 -14.227 -3.824 1.00 62.05 H new ATOM 0 HZ3 LYS A 42 -9.495 -12.776 -4.390 1.00 62.05 H new ATOM 649 N ASN A 43 -9.258 -8.042 -2.916 1.00 41.53 N ATOM 650 CA ASN A 43 -9.481 -6.888 -3.780 1.00 71.43 C ATOM 651 C ASN A 43 -9.242 -5.586 -3.023 1.00 55.24 C ATOM 652 O ASN A 43 -8.453 -4.744 -3.450 1.00 31.15 O ATOM 653 CB ASN A 43 -10.907 -6.911 -4.338 1.00 21.43 C ATOM 654 CG ASN A 43 -11.266 -5.627 -5.059 1.00 50.32 C ATOM 655 OD1 ASN A 43 -10.413 -4.988 -5.675 1.00 23.31 O ATOM 656 ND2 ASN A 43 -12.535 -5.240 -4.982 1.00 65.32 N ATOM 0 H ASN A 43 -10.110 -8.515 -2.615 1.00 41.53 H new ATOM 0 HA ASN A 43 -8.772 -6.942 -4.606 1.00 71.43 H new ATOM 0 HB2 ASN A 43 -11.012 -7.751 -5.024 1.00 21.43 H new ATOM 0 HB3 ASN A 43 -11.611 -7.075 -3.522 1.00 21.43 H new ATOM 0 HD21 ASN A 43 -12.836 -4.382 -5.445 1.00 65.32 H new ATOM 0 HD22 ASN A 43 -13.208 -5.801 -4.460 1.00 65.32 H new ATOM 663 N TYR A 44 -9.928 -5.429 -1.896 1.00 51.41 N ATOM 664 CA TYR A 44 -9.791 -4.229 -1.078 1.00 44.33 C ATOM 665 C TYR A 44 -8.325 -3.831 -0.935 1.00 43.01 C ATOM 666 O TYR A 44 -7.959 -2.676 -1.153 1.00 71.34 O ATOM 667 CB TYR A 44 -10.407 -4.454 0.302 1.00 41.31 C ATOM 668 CG TYR A 44 -11.899 -4.208 0.347 1.00 11.41 C ATOM 669 CD1 TYR A 44 -12.430 -2.975 -0.009 1.00 53.10 C ATOM 670 CD2 TYR A 44 -12.776 -5.210 0.747 1.00 43.12 C ATOM 671 CE1 TYR A 44 -13.793 -2.746 0.032 1.00 61.10 C ATOM 672 CE2 TYR A 44 -14.140 -4.990 0.788 1.00 0.42 C ATOM 673 CZ TYR A 44 -14.643 -3.756 0.430 1.00 25.51 C ATOM 674 OH TYR A 44 -16.000 -3.532 0.471 1.00 14.10 O ATOM 0 H TYR A 44 -10.584 -6.117 -1.528 1.00 51.41 H new ATOM 0 HA TYR A 44 -10.321 -3.418 -1.577 1.00 44.33 H new ATOM 0 HB2 TYR A 44 -10.206 -5.478 0.618 1.00 41.31 H new ATOM 0 HB3 TYR A 44 -9.917 -3.797 1.021 1.00 41.31 H new ATOM 0 HD1 TYR A 44 -11.767 -2.182 -0.323 1.00 53.10 H new ATOM 0 HD2 TYR A 44 -12.385 -6.176 1.030 1.00 43.12 H new ATOM 0 HE1 TYR A 44 -14.190 -1.781 -0.246 1.00 61.10 H new ATOM 0 HE2 TYR A 44 -14.808 -5.780 1.099 1.00 0.42 H new ATOM 0 HH TYR A 44 -16.467 -4.269 0.024 1.00 14.10 H new ATOM 684 N TYR A 45 -7.491 -4.798 -0.569 1.00 31.21 N ATOM 685 CA TYR A 45 -6.064 -4.551 -0.395 1.00 12.52 C ATOM 686 C TYR A 45 -5.428 -4.087 -1.702 1.00 34.44 C ATOM 687 O TYR A 45 -4.779 -3.042 -1.753 1.00 65.42 O ATOM 688 CB TYR A 45 -5.364 -5.815 0.107 1.00 3.04 C ATOM 689 CG TYR A 45 -5.620 -6.110 1.568 1.00 44.11 C ATOM 690 CD1 TYR A 45 -5.115 -5.282 2.563 1.00 14.32 C ATOM 691 CD2 TYR A 45 -6.368 -7.216 1.952 1.00 21.31 C ATOM 692 CE1 TYR A 45 -5.347 -5.548 3.898 1.00 32.35 C ATOM 693 CE2 TYR A 45 -6.606 -7.489 3.285 1.00 1.00 C ATOM 694 CZ TYR A 45 -6.092 -6.652 4.254 1.00 71.43 C ATOM 695 OH TYR A 45 -6.325 -6.921 5.584 1.00 10.40 O ATOM 0 H TYR A 45 -7.778 -5.760 -0.387 1.00 31.21 H new ATOM 0 HA TYR A 45 -5.945 -3.760 0.346 1.00 12.52 H new ATOM 0 HB2 TYR A 45 -5.695 -6.665 -0.490 1.00 3.04 H new ATOM 0 HB3 TYR A 45 -4.290 -5.713 -0.052 1.00 3.04 H new ATOM 0 HD1 TYR A 45 -4.531 -4.416 2.288 1.00 14.32 H new ATOM 0 HD2 TYR A 45 -6.770 -7.873 1.195 1.00 21.31 H new ATOM 0 HE1 TYR A 45 -4.947 -4.895 4.659 1.00 32.35 H new ATOM 0 HE2 TYR A 45 -7.191 -8.352 3.567 1.00 1.00 H new ATOM 0 HH TYR A 45 -6.867 -7.734 5.663 1.00 10.40 H new ATOM 705 N LYS A 46 -5.619 -4.873 -2.755 1.00 62.22 N ATOM 706 CA LYS A 46 -5.066 -4.544 -4.065 1.00 74.42 C ATOM 707 C LYS A 46 -5.423 -3.116 -4.464 1.00 42.01 C ATOM 708 O LYS A 46 -4.765 -2.518 -5.315 1.00 55.13 O ATOM 709 CB LYS A 46 -5.584 -5.526 -5.119 1.00 3.33 C ATOM 710 CG LYS A 46 -4.767 -6.803 -5.217 1.00 15.11 C ATOM 711 CD LYS A 46 -5.618 -7.974 -5.675 1.00 1.02 C ATOM 712 CE LYS A 46 -4.808 -8.959 -6.506 1.00 44.13 C ATOM 713 NZ LYS A 46 -5.342 -9.084 -7.891 1.00 60.44 N ATOM 0 H LYS A 46 -6.152 -5.742 -2.728 1.00 62.22 H new ATOM 0 HA LYS A 46 -3.981 -4.623 -4.005 1.00 74.42 H new ATOM 0 HB2 LYS A 46 -6.617 -5.783 -4.887 1.00 3.33 H new ATOM 0 HB3 LYS A 46 -5.589 -5.033 -6.091 1.00 3.33 H new ATOM 0 HG2 LYS A 46 -3.943 -6.656 -5.915 1.00 15.11 H new ATOM 0 HG3 LYS A 46 -4.326 -7.030 -4.246 1.00 15.11 H new ATOM 0 HD2 LYS A 46 -6.034 -8.485 -4.807 1.00 1.02 H new ATOM 0 HD3 LYS A 46 -6.459 -7.606 -6.262 1.00 1.02 H new ATOM 0 HE2 LYS A 46 -3.769 -8.633 -6.545 1.00 44.13 H new ATOM 0 HE3 LYS A 46 -4.818 -9.936 -6.023 1.00 44.13 H new ATOM 0 HZ1 LYS A 46 -4.764 -9.763 -8.426 1.00 60.44 H new ATOM 0 HZ2 LYS A 46 -6.326 -9.419 -7.855 1.00 60.44 H new ATOM 0 HZ3 LYS A 46 -5.309 -8.157 -8.361 1.00 60.44 H new ATOM 727 N GLN A 47 -6.467 -2.578 -3.843 1.00 43.33 N ATOM 728 CA GLN A 47 -6.909 -1.219 -4.134 1.00 13.34 C ATOM 729 C GLN A 47 -6.157 -0.205 -3.277 1.00 64.01 C ATOM 730 O GLN A 47 -5.743 0.847 -3.763 1.00 34.00 O ATOM 731 CB GLN A 47 -8.415 -1.088 -3.895 1.00 34.34 C ATOM 732 CG GLN A 47 -9.261 -1.601 -5.048 1.00 41.11 C ATOM 733 CD GLN A 47 -10.595 -0.888 -5.156 1.00 75.30 C ATOM 734 OE1 GLN A 47 -10.652 0.341 -5.216 1.00 44.44 O ATOM 735 NE2 GLN A 47 -11.677 -1.658 -5.178 1.00 73.00 N ATOM 0 H GLN A 47 -7.022 -3.061 -3.136 1.00 43.33 H new ATOM 0 HA GLN A 47 -6.694 -1.011 -5.182 1.00 13.34 H new ATOM 0 HB2 GLN A 47 -8.680 -1.635 -2.990 1.00 34.34 H new ATOM 0 HB3 GLN A 47 -8.656 -0.040 -3.716 1.00 34.34 H new ATOM 0 HG2 GLN A 47 -8.711 -1.477 -5.981 1.00 41.11 H new ATOM 0 HG3 GLN A 47 -9.434 -2.670 -4.919 1.00 41.11 H new ATOM 0 HE21 GLN A 47 -11.582 -2.672 -5.126 1.00 73.00 H new ATOM 0 HE22 GLN A 47 -12.603 -1.235 -5.247 1.00 73.00 H new ATOM 744 N GLY A 48 -5.983 -0.531 -2.001 1.00 21.30 N ATOM 745 CA GLY A 48 -5.280 0.362 -1.097 1.00 35.24 C ATOM 746 C GLY A 48 -3.790 0.410 -1.373 1.00 13.11 C ATOM 747 O GLY A 48 -3.142 1.432 -1.141 1.00 74.25 O ATOM 0 H GLY A 48 -6.316 -1.397 -1.576 1.00 21.30 H new ATOM 0 HA2 GLY A 48 -5.696 1.366 -1.186 1.00 35.24 H new ATOM 0 HA3 GLY A 48 -5.446 0.039 -0.069 1.00 35.24 H new ATOM 751 N ILE A 49 -3.245 -0.696 -1.866 1.00 42.22 N ATOM 752 CA ILE A 49 -1.821 -0.776 -2.173 1.00 14.30 C ATOM 753 C ILE A 49 -1.403 0.334 -3.129 1.00 3.52 C ATOM 754 O ILE A 49 -0.363 0.964 -2.948 1.00 3.23 O ATOM 755 CB ILE A 49 -1.454 -2.137 -2.790 1.00 72.20 C ATOM 756 CG1 ILE A 49 -0.927 -3.086 -1.711 1.00 43.03 C ATOM 757 CG2 ILE A 49 -0.422 -1.957 -3.894 1.00 54.15 C ATOM 758 CD1 ILE A 49 -1.557 -4.461 -1.754 1.00 43.33 C ATOM 0 H ILE A 49 -3.767 -1.550 -2.062 1.00 42.22 H new ATOM 0 HA ILE A 49 -1.287 -0.660 -1.230 1.00 14.30 H new ATOM 0 HB ILE A 49 -2.352 -2.575 -3.226 1.00 72.20 H new ATOM 0 HG12 ILE A 49 0.153 -3.186 -1.823 1.00 43.03 H new ATOM 0 HG13 ILE A 49 -1.106 -2.644 -0.731 1.00 43.03 H new ATOM 0 HG21 ILE A 49 -0.172 -2.928 -4.321 1.00 54.15 H new ATOM 0 HG22 ILE A 49 -0.831 -1.313 -4.673 1.00 54.15 H new ATOM 0 HG23 ILE A 49 0.477 -1.501 -3.480 1.00 54.15 H new ATOM 0 HD11 ILE A 49 -1.136 -5.079 -0.961 1.00 43.33 H new ATOM 0 HD12 ILE A 49 -2.634 -4.372 -1.611 1.00 43.33 H new ATOM 0 HD13 ILE A 49 -1.356 -4.923 -2.720 1.00 43.33 H new ATOM 770 N GLY A 50 -2.223 0.569 -4.150 1.00 32.23 N ATOM 771 CA GLY A 50 -1.921 1.605 -5.120 1.00 42.34 C ATOM 772 C GLY A 50 -1.895 2.989 -4.503 1.00 40.24 C ATOM 773 O GLY A 50 -1.111 3.845 -4.912 1.00 32.23 O ATOM 0 H GLY A 50 -3.090 0.060 -4.322 1.00 32.23 H new ATOM 0 HA2 GLY A 50 -0.955 1.397 -5.579 1.00 42.34 H new ATOM 0 HA3 GLY A 50 -2.664 1.580 -5.917 1.00 42.34 H new ATOM 777 N HIS A 51 -2.758 3.211 -3.515 1.00 43.15 N ATOM 778 CA HIS A 51 -2.832 4.502 -2.841 1.00 54.05 C ATOM 779 C HIS A 51 -1.634 4.701 -1.917 1.00 63.45 C ATOM 780 O HIS A 51 -1.173 5.826 -1.715 1.00 71.24 O ATOM 781 CB HIS A 51 -4.130 4.610 -2.041 1.00 74.52 C ATOM 782 CG HIS A 51 -5.308 5.031 -2.865 1.00 51.21 C ATOM 783 ND1 HIS A 51 -5.578 6.349 -3.172 1.00 60.31 N ATOM 784 CD2 HIS A 51 -6.288 4.302 -3.448 1.00 30.42 C ATOM 785 CE1 HIS A 51 -6.674 6.411 -3.907 1.00 14.33 C ATOM 786 NE2 HIS A 51 -7.124 5.182 -4.089 1.00 22.31 N ATOM 0 H HIS A 51 -3.415 2.514 -3.164 1.00 43.15 H new ATOM 0 HA HIS A 51 -2.817 5.283 -3.602 1.00 54.05 H new ATOM 0 HB2 HIS A 51 -4.345 3.646 -1.581 1.00 74.52 H new ATOM 0 HB3 HIS A 51 -3.989 5.325 -1.231 1.00 74.52 H new ATOM 0 HD2 HIS A 51 -6.393 3.228 -3.415 1.00 30.42 H new ATOM 0 HE1 HIS A 51 -7.125 7.313 -4.293 1.00 14.33 H new ATOM 0 HE2 HIS A 51 -7.957 4.928 -4.620 1.00 22.31 H new ATOM 795 N LEU A 52 -1.134 3.604 -1.358 1.00 43.41 N ATOM 796 CA LEU A 52 0.011 3.658 -0.456 1.00 54.12 C ATOM 797 C LEU A 52 1.239 4.214 -1.167 1.00 20.43 C ATOM 798 O LEU A 52 1.819 5.213 -0.739 1.00 62.32 O ATOM 799 CB LEU A 52 0.313 2.265 0.100 1.00 11.34 C ATOM 800 CG LEU A 52 -0.548 1.810 1.278 1.00 13.43 C ATOM 801 CD1 LEU A 52 -0.472 0.301 1.444 1.00 62.21 C ATOM 802 CD2 LEU A 52 -0.115 2.512 2.558 1.00 74.23 C ATOM 0 H LEU A 52 -1.504 2.666 -1.514 1.00 43.41 H new ATOM 0 HA LEU A 52 -0.239 4.325 0.369 1.00 54.12 H new ATOM 0 HB2 LEU A 52 0.200 1.541 -0.707 1.00 11.34 H new ATOM 0 HB3 LEU A 52 1.358 2.238 0.408 1.00 11.34 H new ATOM 0 HG LEU A 52 -1.584 2.080 1.071 1.00 13.43 H new ATOM 0 HD11 LEU A 52 -1.091 -0.004 2.288 1.00 62.21 H new ATOM 0 HD12 LEU A 52 -0.831 -0.183 0.536 1.00 62.21 H new ATOM 0 HD13 LEU A 52 0.561 0.007 1.628 1.00 62.21 H new ATOM 0 HD21 LEU A 52 -0.739 2.176 3.386 1.00 74.23 H new ATOM 0 HD22 LEU A 52 0.927 2.274 2.769 1.00 74.23 H new ATOM 0 HD23 LEU A 52 -0.223 3.590 2.436 1.00 74.23 H new ATOM 814 N LEU A 53 1.631 3.561 -2.256 1.00 73.32 N ATOM 815 CA LEU A 53 2.791 3.990 -3.030 1.00 41.10 C ATOM 816 C LEU A 53 2.620 5.427 -3.515 1.00 62.15 C ATOM 817 O LEU A 53 3.477 6.279 -3.279 1.00 73.53 O ATOM 818 CB LEU A 53 3.006 3.059 -4.223 1.00 71.52 C ATOM 819 CG LEU A 53 2.910 1.561 -3.930 1.00 2.10 C ATOM 820 CD1 LEU A 53 3.126 0.754 -5.202 1.00 54.15 C ATOM 821 CD2 LEU A 53 3.919 1.160 -2.865 1.00 25.34 C ATOM 0 H LEU A 53 1.163 2.733 -2.623 1.00 73.32 H new ATOM 0 HA LEU A 53 3.666 3.946 -2.382 1.00 41.10 H new ATOM 0 HB2 LEU A 53 2.271 3.307 -4.989 1.00 71.52 H new ATOM 0 HB3 LEU A 53 3.989 3.264 -4.646 1.00 71.52 H new ATOM 0 HG LEU A 53 1.910 1.347 -3.553 1.00 2.10 H new ATOM 0 HD11 LEU A 53 3.054 -0.310 -4.975 1.00 54.15 H new ATOM 0 HD12 LEU A 53 2.365 1.020 -5.936 1.00 54.15 H new ATOM 0 HD13 LEU A 53 4.114 0.972 -5.608 1.00 54.15 H new ATOM 0 HD21 LEU A 53 3.836 0.091 -2.669 1.00 25.34 H new ATOM 0 HD22 LEU A 53 4.926 1.388 -3.214 1.00 25.34 H new ATOM 0 HD23 LEU A 53 3.719 1.713 -1.947 1.00 25.34 H new ATOM 833 N ARG A 54 1.507 5.688 -4.194 1.00 72.01 N ATOM 834 CA ARG A 54 1.224 7.020 -4.712 1.00 33.41 C ATOM 835 C ARG A 54 1.690 8.095 -3.733 1.00 11.42 C ATOM 836 O ARG A 54 2.166 9.154 -4.139 1.00 33.15 O ATOM 837 CB ARG A 54 -0.272 7.178 -4.983 1.00 51.52 C ATOM 838 CG ARG A 54 -0.691 8.606 -5.292 1.00 25.14 C ATOM 839 CD ARG A 54 -2.112 8.669 -5.828 1.00 33.43 C ATOM 840 NE ARG A 54 -2.144 8.731 -7.286 1.00 5.52 N ATOM 841 CZ ARG A 54 -1.924 9.844 -7.979 1.00 62.22 C ATOM 842 NH1 ARG A 54 -1.659 10.979 -7.350 1.00 22.35 N ATOM 843 NH2 ARG A 54 -1.972 9.820 -9.305 1.00 42.05 N ATOM 0 H ARG A 54 0.787 4.994 -4.398 1.00 72.01 H new ATOM 0 HA ARG A 54 1.771 7.142 -5.647 1.00 33.41 H new ATOM 0 HB2 ARG A 54 -0.550 6.538 -5.821 1.00 51.52 H new ATOM 0 HB3 ARG A 54 -0.828 6.826 -4.115 1.00 51.52 H new ATOM 0 HG2 ARG A 54 -0.615 9.212 -4.389 1.00 25.14 H new ATOM 0 HG3 ARG A 54 -0.006 9.037 -6.023 1.00 25.14 H new ATOM 0 HD2 ARG A 54 -2.666 7.793 -5.490 1.00 33.43 H new ATOM 0 HD3 ARG A 54 -2.616 9.543 -5.417 1.00 33.43 H new ATOM 0 HE ARG A 54 -2.346 7.874 -7.801 1.00 5.52 H new ATOM 0 HH11 ARG A 54 -1.623 11.001 -6.331 1.00 22.35 H new ATOM 0 HH12 ARG A 54 -1.491 11.831 -7.885 1.00 22.35 H new ATOM 0 HH21 ARG A 54 -2.178 8.948 -9.792 1.00 42.05 H new ATOM 0 HH22 ARG A 54 -1.803 10.674 -9.837 1.00 42.05 H new ATOM 857 N GLY A 55 1.546 7.812 -2.441 1.00 2.33 N ATOM 858 CA GLY A 55 1.957 8.765 -1.425 1.00 52.24 C ATOM 859 C GLY A 55 3.390 8.556 -0.979 1.00 43.22 C ATOM 860 O GLY A 55 4.082 9.511 -0.626 1.00 21.30 O ATOM 0 H GLY A 55 1.153 6.942 -2.081 1.00 2.33 H new ATOM 0 HA2 GLY A 55 1.845 9.777 -1.814 1.00 52.24 H new ATOM 0 HA3 GLY A 55 1.295 8.680 -0.563 1.00 52.24 H new ATOM 864 N ILE A 56 3.836 7.305 -0.994 1.00 25.40 N ATOM 865 CA ILE A 56 5.197 6.974 -0.589 1.00 15.01 C ATOM 866 C ILE A 56 6.188 7.250 -1.713 1.00 11.44 C ATOM 867 O ILE A 56 7.402 7.181 -1.516 1.00 52.43 O ATOM 868 CB ILE A 56 5.314 5.498 -0.166 1.00 21.42 C ATOM 869 CG1 ILE A 56 4.227 5.147 0.851 1.00 1.34 C ATOM 870 CG2 ILE A 56 6.696 5.222 0.412 1.00 11.50 C ATOM 871 CD1 ILE A 56 3.711 3.731 0.720 1.00 62.11 C ATOM 0 H ILE A 56 3.275 6.503 -1.282 1.00 25.40 H new ATOM 0 HA ILE A 56 5.436 7.608 0.265 1.00 15.01 H new ATOM 0 HB ILE A 56 5.176 4.871 -1.047 1.00 21.42 H new ATOM 0 HG12 ILE A 56 4.622 5.289 1.857 1.00 1.34 H new ATOM 0 HG13 ILE A 56 3.394 5.841 0.735 1.00 1.34 H new ATOM 0 HG21 ILE A 56 6.765 4.175 0.707 1.00 11.50 H new ATOM 0 HG22 ILE A 56 7.455 5.438 -0.340 1.00 11.50 H new ATOM 0 HG23 ILE A 56 6.859 5.856 1.284 1.00 11.50 H new ATOM 0 HD11 ILE A 56 2.943 3.553 1.473 1.00 62.11 H new ATOM 0 HD12 ILE A 56 3.285 3.589 -0.273 1.00 62.11 H new ATOM 0 HD13 ILE A 56 4.532 3.029 0.866 1.00 62.11 H new ATOM 883 N SER A 57 5.664 7.565 -2.894 1.00 20.04 N ATOM 884 CA SER A 57 6.504 7.850 -4.051 1.00 3.12 C ATOM 885 C SER A 57 6.460 9.334 -4.402 1.00 52.43 C ATOM 886 O SER A 57 6.470 9.706 -5.575 1.00 21.12 O ATOM 887 CB SER A 57 6.052 7.018 -5.252 1.00 73.15 C ATOM 888 OG SER A 57 6.391 5.653 -5.083 1.00 31.52 O ATOM 0 H SER A 57 4.662 7.629 -3.074 1.00 20.04 H new ATOM 0 HA SER A 57 7.530 7.584 -3.798 1.00 3.12 H new ATOM 0 HB2 SER A 57 4.974 7.115 -5.381 1.00 73.15 H new ATOM 0 HB3 SER A 57 6.517 7.402 -6.160 1.00 73.15 H new ATOM 0 HG SER A 57 6.090 5.142 -5.863 1.00 31.52 H new ATOM 894 N ILE A 58 6.410 10.177 -3.376 1.00 35.05 N ATOM 895 CA ILE A 58 6.366 11.620 -3.574 1.00 41.12 C ATOM 896 C ILE A 58 7.754 12.236 -3.444 1.00 24.52 C ATOM 897 O ILE A 58 8.623 11.696 -2.760 1.00 13.30 O ATOM 898 CB ILE A 58 5.420 12.299 -2.564 1.00 64.53 C ATOM 899 CG1 ILE A 58 4.042 11.636 -2.599 1.00 43.05 C ATOM 900 CG2 ILE A 58 5.306 13.786 -2.863 1.00 1.31 C ATOM 901 CD1 ILE A 58 3.200 12.052 -3.786 1.00 32.42 C ATOM 0 H ILE A 58 6.399 9.885 -2.399 1.00 35.05 H new ATOM 0 HA ILE A 58 5.989 11.788 -4.583 1.00 41.12 H new ATOM 0 HB ILE A 58 5.834 12.180 -1.563 1.00 64.53 H new ATOM 0 HG12 ILE A 58 4.169 10.554 -2.616 1.00 43.05 H new ATOM 0 HG13 ILE A 58 3.507 11.880 -1.681 1.00 43.05 H new ATOM 0 HG21 ILE A 58 4.635 14.252 -2.142 1.00 1.31 H new ATOM 0 HG22 ILE A 58 6.291 14.248 -2.793 1.00 1.31 H new ATOM 0 HG23 ILE A 58 4.911 13.926 -3.869 1.00 1.31 H new ATOM 0 HD11 ILE A 58 2.237 11.543 -3.745 1.00 32.42 H new ATOM 0 HD12 ILE A 58 3.042 13.130 -3.760 1.00 32.42 H new ATOM 0 HD13 ILE A 58 3.714 11.783 -4.709 1.00 32.42 H new ATOM 913 N SER A 59 7.956 13.371 -4.107 1.00 23.41 N ATOM 914 CA SER A 59 9.242 14.060 -4.069 1.00 40.11 C ATOM 915 C SER A 59 9.328 14.978 -2.854 1.00 30.50 C ATOM 916 O SER A 59 8.723 16.049 -2.826 1.00 73.20 O ATOM 917 CB SER A 59 9.447 14.871 -5.351 1.00 32.40 C ATOM 918 OG SER A 59 9.170 14.089 -6.499 1.00 70.22 O ATOM 0 H SER A 59 7.247 13.833 -4.676 1.00 23.41 H new ATOM 0 HA SER A 59 10.028 13.309 -3.993 1.00 40.11 H new ATOM 0 HB2 SER A 59 8.798 15.747 -5.339 1.00 32.40 H new ATOM 0 HB3 SER A 59 10.473 15.235 -5.394 1.00 32.40 H new ATOM 0 HG SER A 59 9.307 14.630 -7.304 1.00 70.22 H new ATOM 924 N SER A 60 10.088 14.548 -1.850 1.00 24.35 N ATOM 925 CA SER A 60 10.254 15.329 -0.629 1.00 71.15 C ATOM 926 C SER A 60 11.698 15.795 -0.475 1.00 2.50 C ATOM 927 O SER A 60 12.103 16.255 0.594 1.00 52.21 O ATOM 928 CB SER A 60 9.839 14.501 0.590 1.00 63.41 C ATOM 929 OG SER A 60 10.737 13.426 0.804 1.00 71.33 O ATOM 0 H SER A 60 10.598 13.664 -1.858 1.00 24.35 H new ATOM 0 HA SER A 60 9.613 16.208 -0.698 1.00 71.15 H new ATOM 0 HB2 SER A 60 9.811 15.138 1.474 1.00 63.41 H new ATOM 0 HB3 SER A 60 8.831 14.114 0.445 1.00 63.41 H new ATOM 0 HG SER A 60 10.452 12.913 1.589 1.00 71.33 H new ATOM 935 N LYS A 61 12.469 15.675 -1.549 1.00 1.32 N ATOM 936 CA LYS A 61 13.869 16.086 -1.536 1.00 73.41 C ATOM 937 C LYS A 61 14.099 17.262 -2.476 1.00 2.43 C ATOM 938 O LYS A 61 14.549 17.085 -3.609 1.00 52.43 O ATOM 939 CB LYS A 61 14.769 14.914 -1.936 1.00 4.22 C ATOM 940 CG LYS A 61 14.944 13.878 -0.838 1.00 24.14 C ATOM 941 CD LYS A 61 16.335 13.267 -0.867 1.00 43.12 C ATOM 942 CE LYS A 61 16.663 12.691 -2.236 1.00 51.02 C ATOM 943 NZ LYS A 61 17.902 11.865 -2.208 1.00 33.10 N ATOM 0 H LYS A 61 12.149 15.296 -2.440 1.00 1.32 H new ATOM 0 HA LYS A 61 14.121 16.400 -0.523 1.00 73.41 H new ATOM 0 HB2 LYS A 61 14.350 14.429 -2.818 1.00 4.22 H new ATOM 0 HB3 LYS A 61 15.748 15.299 -2.220 1.00 4.22 H new ATOM 0 HG2 LYS A 61 14.769 14.342 0.133 1.00 24.14 H new ATOM 0 HG3 LYS A 61 14.198 13.092 -0.955 1.00 24.14 H new ATOM 0 HD2 LYS A 61 17.072 14.026 -0.604 1.00 43.12 H new ATOM 0 HD3 LYS A 61 16.404 12.481 -0.115 1.00 43.12 H new ATOM 0 HE2 LYS A 61 15.828 12.082 -2.583 1.00 51.02 H new ATOM 0 HE3 LYS A 61 16.784 13.504 -2.952 1.00 51.02 H new ATOM 0 HZ1 LYS A 61 18.091 11.491 -3.160 1.00 33.10 H new ATOM 0 HZ2 LYS A 61 18.704 12.452 -1.901 1.00 33.10 H new ATOM 0 HZ3 LYS A 61 17.777 11.075 -1.544 1.00 33.10 H new ATOM 957 N GLU A 62 13.791 18.465 -2.001 1.00 14.04 N ATOM 958 CA GLU A 62 13.966 19.671 -2.801 1.00 5.13 C ATOM 959 C GLU A 62 14.013 20.912 -1.913 1.00 62.31 C ATOM 960 O GLU A 62 13.140 21.118 -1.071 1.00 1.44 O ATOM 961 CB GLU A 62 12.832 19.803 -3.820 1.00 33.20 C ATOM 962 CG GLU A 62 11.484 19.337 -3.294 1.00 1.23 C ATOM 963 CD GLU A 62 10.458 19.162 -4.396 1.00 71.21 C ATOM 964 OE1 GLU A 62 9.686 20.112 -4.645 1.00 22.55 O ATOM 965 OE2 GLU A 62 10.425 18.073 -5.009 1.00 11.55 O ATOM 0 H GLU A 62 13.419 18.630 -1.066 1.00 14.04 H new ATOM 0 HA GLU A 62 14.915 19.589 -3.332 1.00 5.13 H new ATOM 0 HB2 GLU A 62 12.752 20.845 -4.129 1.00 33.20 H new ATOM 0 HB3 GLU A 62 13.085 19.226 -4.709 1.00 33.20 H new ATOM 0 HG2 GLU A 62 11.611 18.391 -2.767 1.00 1.23 H new ATOM 0 HG3 GLU A 62 11.112 20.059 -2.567 1.00 1.23 H new ATOM 973 N SER A 63 15.040 21.733 -2.107 1.00 23.45 N ATOM 974 CA SER A 63 15.207 22.950 -1.322 1.00 41.24 C ATOM 975 C SER A 63 14.279 24.052 -1.827 1.00 23.44 C ATOM 976 O SER A 63 14.480 24.596 -2.912 1.00 61.53 O ATOM 977 CB SER A 63 16.659 23.424 -1.376 1.00 25.23 C ATOM 978 OG SER A 63 17.025 23.799 -2.693 1.00 50.13 O ATOM 0 H SER A 63 15.770 21.577 -2.802 1.00 23.45 H new ATOM 0 HA SER A 63 14.947 22.725 -0.288 1.00 41.24 H new ATOM 0 HB2 SER A 63 16.794 24.271 -0.703 1.00 25.23 H new ATOM 0 HB3 SER A 63 17.317 22.630 -1.025 1.00 25.23 H new ATOM 0 HG SER A 63 16.290 24.297 -3.108 1.00 50.13 H new ATOM 984 N GLU A 64 13.266 24.374 -1.031 1.00 0.31 N ATOM 985 CA GLU A 64 12.307 25.412 -1.398 1.00 71.12 C ATOM 986 C GLU A 64 11.321 25.667 -0.263 1.00 75.43 C ATOM 987 O GLU A 64 11.099 26.810 0.138 1.00 2.22 O ATOM 988 CB GLU A 64 11.551 25.011 -2.666 1.00 42.35 C ATOM 989 CG GLU A 64 11.586 26.070 -3.757 1.00 13.22 C ATOM 990 CD GLU A 64 11.819 25.482 -5.134 1.00 72.15 C ATOM 991 OE1 GLU A 64 12.983 25.160 -5.453 1.00 21.14 O ATOM 992 OE2 GLU A 64 10.837 25.341 -5.893 1.00 0.32 O ATOM 0 H GLU A 64 13.087 23.933 -0.129 1.00 0.31 H new ATOM 0 HA GLU A 64 12.860 26.332 -1.588 1.00 71.12 H new ATOM 0 HB2 GLU A 64 11.977 24.086 -3.055 1.00 42.35 H new ATOM 0 HB3 GLU A 64 10.513 24.801 -2.409 1.00 42.35 H new ATOM 0 HG2 GLU A 64 10.644 26.619 -3.755 1.00 13.22 H new ATOM 0 HG3 GLU A 64 12.375 26.789 -3.535 1.00 13.22 H new ATOM 1000 N HIS A 65 10.728 24.593 0.251 1.00 30.03 N ATOM 1001 CA HIS A 65 9.764 24.700 1.341 1.00 25.30 C ATOM 1002 C HIS A 65 10.072 23.688 2.440 1.00 43.10 C ATOM 1003 O HIS A 65 9.840 22.489 2.278 1.00 74.13 O ATOM 1004 CB HIS A 65 8.344 24.484 0.816 1.00 42.20 C ATOM 1005 CG HIS A 65 8.273 24.331 -0.672 1.00 22.02 C ATOM 1006 ND1 HIS A 65 7.879 25.350 -1.515 1.00 53.35 N ATOM 1007 CD2 HIS A 65 8.548 23.272 -1.467 1.00 24.23 C ATOM 1008 CE1 HIS A 65 7.914 24.922 -2.765 1.00 52.14 C ATOM 1009 NE2 HIS A 65 8.318 23.664 -2.763 1.00 33.40 N ATOM 0 H HIS A 65 10.898 23.640 -0.070 1.00 30.03 H new ATOM 0 HA HIS A 65 9.839 25.702 1.763 1.00 25.30 H new ATOM 0 HB2 HIS A 65 7.923 23.595 1.285 1.00 42.20 H new ATOM 0 HB3 HIS A 65 7.722 25.327 1.116 1.00 42.20 H new ATOM 0 HD2 HIS A 65 8.886 22.299 -1.143 1.00 24.23 H new ATOM 0 HE1 HIS A 65 7.656 25.502 -3.639 1.00 52.14 H new ATOM 0 HE2 HIS A 65 8.439 23.079 -3.590 1.00 33.40 H new ATOM 1018 N THR A 66 10.598 24.176 3.559 1.00 0.51 N ATOM 1019 CA THR A 66 10.939 23.316 4.683 1.00 60.14 C ATOM 1020 C THR A 66 10.443 23.906 5.998 1.00 33.12 C ATOM 1021 O THR A 66 10.690 25.071 6.299 1.00 24.01 O ATOM 1022 CB THR A 66 12.461 23.089 4.776 1.00 13.43 C ATOM 1023 OG1 THR A 66 12.874 23.104 6.148 1.00 4.34 O ATOM 1024 CG2 THR A 66 13.214 24.160 4.002 1.00 62.20 C ATOM 0 H THR A 66 10.797 25.165 3.710 1.00 0.51 H new ATOM 0 HA THR A 66 10.446 22.359 4.509 1.00 60.14 H new ATOM 0 HB THR A 66 12.691 22.118 4.338 1.00 13.43 H new ATOM 0 HG1 THR A 66 13.842 22.958 6.200 1.00 4.34 H new ATOM 0 HG21 THR A 66 14.286 23.980 4.081 1.00 62.20 H new ATOM 0 HG22 THR A 66 12.917 24.128 2.954 1.00 62.20 H new ATOM 0 HG23 THR A 66 12.979 25.141 4.416 1.00 62.20 H new ATOM 1032 N GLY A 67 9.740 23.090 6.780 1.00 34.02 N ATOM 1033 CA GLY A 67 9.220 23.549 8.055 1.00 2.14 C ATOM 1034 C GLY A 67 8.400 22.489 8.762 1.00 50.22 C ATOM 1035 O GLY A 67 8.532 21.294 8.498 1.00 53.52 O ATOM 0 H GLY A 67 9.522 22.120 6.553 1.00 34.02 H new ATOM 0 HA2 GLY A 67 10.049 23.849 8.695 1.00 2.14 H new ATOM 0 HA3 GLY A 67 8.604 24.434 7.895 1.00 2.14 H new ATOM 1039 N PRO A 68 7.531 22.927 9.686 1.00 23.30 N ATOM 1040 CA PRO A 68 6.670 22.023 10.453 1.00 73.33 C ATOM 1041 C PRO A 68 5.585 21.386 9.593 1.00 44.15 C ATOM 1042 O PRO A 68 5.222 20.227 9.788 1.00 1.23 O ATOM 1043 CB PRO A 68 6.046 22.939 11.509 1.00 32.32 C ATOM 1044 CG PRO A 68 6.083 24.298 10.901 1.00 30.43 C ATOM 1045 CD PRO A 68 7.323 24.338 10.051 1.00 1.31 C ATOM 0 HA PRO A 68 7.229 21.186 10.871 1.00 73.33 H new ATOM 0 HB2 PRO A 68 5.025 22.637 11.741 1.00 32.32 H new ATOM 0 HB3 PRO A 68 6.608 22.907 12.442 1.00 32.32 H new ATOM 0 HG2 PRO A 68 5.192 24.481 10.300 1.00 30.43 H new ATOM 0 HG3 PRO A 68 6.112 25.069 11.671 1.00 30.43 H new ATOM 0 HD2 PRO A 68 7.186 24.965 9.170 1.00 1.31 H new ATOM 0 HD3 PRO A 68 8.174 24.741 10.600 1.00 1.31 H new ATOM 1053 N GLY A 69 5.068 22.153 8.636 1.00 24.31 N ATOM 1054 CA GLY A 69 4.030 21.646 7.759 1.00 41.15 C ATOM 1055 C GLY A 69 4.433 20.359 7.067 1.00 74.14 C ATOM 1056 O GLY A 69 3.684 19.380 7.077 1.00 13.31 O ATOM 0 H GLY A 69 5.350 23.116 8.454 1.00 24.31 H new ATOM 0 HA2 GLY A 69 3.122 21.475 8.337 1.00 41.15 H new ATOM 0 HA3 GLY A 69 3.793 22.400 7.008 1.00 41.15 H new ATOM 1060 N TRP A 70 5.614 20.358 6.463 1.00 12.24 N ATOM 1061 CA TRP A 70 6.114 19.180 5.762 1.00 51.11 C ATOM 1062 C TRP A 70 6.347 18.028 6.731 1.00 21.51 C ATOM 1063 O TRP A 70 6.430 16.870 6.324 1.00 22.01 O ATOM 1064 CB TRP A 70 7.411 19.514 5.024 1.00 24.55 C ATOM 1065 CG TRP A 70 7.200 19.873 3.584 1.00 33.45 C ATOM 1066 CD1 TRP A 70 7.017 21.125 3.070 1.00 52.05 C ATOM 1067 CD2 TRP A 70 7.151 18.970 2.475 1.00 62.44 C ATOM 1068 NE1 TRP A 70 6.854 21.054 1.708 1.00 5.25 N ATOM 1069 CE2 TRP A 70 6.934 19.744 1.317 1.00 64.54 C ATOM 1070 CE3 TRP A 70 7.270 17.584 2.345 1.00 63.02 C ATOM 1071 CZ2 TRP A 70 6.833 19.175 0.049 1.00 15.24 C ATOM 1072 CZ3 TRP A 70 7.169 17.021 1.087 1.00 50.31 C ATOM 1073 CH2 TRP A 70 6.953 17.816 -0.047 1.00 42.13 C ATOM 0 H TRP A 70 6.245 21.159 6.444 1.00 12.24 H new ATOM 0 HA TRP A 70 5.361 18.872 5.037 1.00 51.11 H new ATOM 0 HB2 TRP A 70 7.905 20.344 5.529 1.00 24.55 H new ATOM 0 HB3 TRP A 70 8.085 18.659 5.083 1.00 24.55 H new ATOM 0 HD1 TRP A 70 7.003 22.037 3.649 1.00 52.05 H new ATOM 0 HE1 TRP A 70 6.698 21.849 1.088 1.00 5.25 H new ATOM 0 HE3 TRP A 70 7.438 16.963 3.213 1.00 63.02 H new ATOM 0 HZ2 TRP A 70 6.666 19.785 -0.826 1.00 15.24 H new ATOM 0 HZ3 TRP A 70 7.258 15.950 0.976 1.00 50.31 H new ATOM 0 HH2 TRP A 70 6.880 17.346 -1.016 1.00 42.13 H new ATOM 1084 N GLU A 71 6.454 18.352 8.016 1.00 13.11 N ATOM 1085 CA GLU A 71 6.679 17.341 9.042 1.00 12.41 C ATOM 1086 C GLU A 71 5.508 16.365 9.110 1.00 14.34 C ATOM 1087 O GLU A 71 5.676 15.163 8.907 1.00 74.30 O ATOM 1088 CB GLU A 71 6.884 18.005 10.406 1.00 71.31 C ATOM 1089 CG GLU A 71 8.022 17.400 11.212 1.00 60.45 C ATOM 1090 CD GLU A 71 7.547 16.335 12.184 1.00 41.44 C ATOM 1091 OE1 GLU A 71 8.399 15.585 12.702 1.00 61.44 O ATOM 1092 OE2 GLU A 71 6.324 16.255 12.423 1.00 35.41 O ATOM 0 H GLU A 71 6.389 19.306 8.371 1.00 13.11 H new ATOM 0 HA GLU A 71 7.578 16.785 8.777 1.00 12.41 H new ATOM 0 HB2 GLU A 71 7.079 19.067 10.258 1.00 71.31 H new ATOM 0 HB3 GLU A 71 5.961 17.927 10.981 1.00 71.31 H new ATOM 0 HG2 GLU A 71 8.753 16.965 10.531 1.00 60.45 H new ATOM 0 HG3 GLU A 71 8.531 18.190 11.764 1.00 60.45 H new ATOM 1100 N SER A 72 4.322 16.892 9.399 1.00 34.33 N ATOM 1101 CA SER A 72 3.123 16.068 9.499 1.00 61.00 C ATOM 1102 C SER A 72 3.008 15.128 8.303 1.00 22.43 C ATOM 1103 O SER A 72 2.403 14.061 8.393 1.00 73.44 O ATOM 1104 CB SER A 72 1.878 16.951 9.589 1.00 34.30 C ATOM 1105 OG SER A 72 0.928 16.403 10.487 1.00 11.54 O ATOM 0 H SER A 72 4.166 17.886 9.568 1.00 34.33 H new ATOM 0 HA SER A 72 3.200 15.467 10.405 1.00 61.00 H new ATOM 0 HB2 SER A 72 2.160 17.951 9.919 1.00 34.30 H new ATOM 0 HB3 SER A 72 1.431 17.056 8.601 1.00 34.30 H new ATOM 0 HG SER A 72 0.142 16.987 10.528 1.00 11.54 H new ATOM 1111 N ALA A 73 3.595 15.534 7.181 1.00 50.44 N ATOM 1112 CA ALA A 73 3.561 14.730 5.967 1.00 63.00 C ATOM 1113 C ALA A 73 4.598 13.613 6.019 1.00 60.44 C ATOM 1114 O ALA A 73 4.353 12.502 5.547 1.00 11.42 O ATOM 1115 CB ALA A 73 3.790 15.607 4.745 1.00 50.43 C ATOM 0 H ALA A 73 4.100 16.416 7.089 1.00 50.44 H new ATOM 0 HA ALA A 73 2.574 14.272 5.893 1.00 63.00 H new ATOM 0 HB1 ALA A 73 3.762 14.992 3.845 1.00 50.43 H new ATOM 0 HB2 ALA A 73 3.010 16.366 4.690 1.00 50.43 H new ATOM 0 HB3 ALA A 73 4.763 16.092 4.823 1.00 50.43 H new ATOM 1121 N ARG A 74 5.757 13.914 6.596 1.00 54.03 N ATOM 1122 CA ARG A 74 6.831 12.935 6.708 1.00 11.50 C ATOM 1123 C ARG A 74 6.480 11.857 7.728 1.00 30.44 C ATOM 1124 O ARG A 74 7.075 10.779 7.737 1.00 64.33 O ATOM 1125 CB ARG A 74 8.137 13.624 7.108 1.00 21.43 C ATOM 1126 CG ARG A 74 9.093 13.837 5.945 1.00 33.14 C ATOM 1127 CD ARG A 74 10.523 14.032 6.428 1.00 15.44 C ATOM 1128 NE ARG A 74 11.497 13.782 5.371 1.00 31.55 N ATOM 1129 CZ ARG A 74 12.767 14.166 5.435 1.00 3.01 C ATOM 1130 NH1 ARG A 74 13.214 14.816 6.501 1.00 41.04 N ATOM 1131 NH2 ARG A 74 13.594 13.901 4.431 1.00 53.25 N ATOM 0 H ARG A 74 5.976 14.828 6.993 1.00 54.03 H new ATOM 0 HA ARG A 74 6.960 12.462 5.735 1.00 11.50 H new ATOM 0 HB2 ARG A 74 7.906 14.589 7.559 1.00 21.43 H new ATOM 0 HB3 ARG A 74 8.634 13.026 7.872 1.00 21.43 H new ATOM 0 HG2 ARG A 74 9.048 12.979 5.274 1.00 33.14 H new ATOM 0 HG3 ARG A 74 8.780 14.708 5.370 1.00 33.14 H new ATOM 0 HD2 ARG A 74 10.644 15.050 6.799 1.00 15.44 H new ATOM 0 HD3 ARG A 74 10.717 13.362 7.265 1.00 15.44 H new ATOM 0 HE ARG A 74 11.186 13.285 4.537 1.00 31.55 H new ATOM 0 HH11 ARG A 74 12.582 15.022 7.275 1.00 41.04 H new ATOM 0 HH12 ARG A 74 14.190 15.110 6.547 1.00 41.04 H new ATOM 0 HH21 ARG A 74 13.255 13.402 3.609 1.00 53.25 H new ATOM 0 HH22 ARG A 74 14.569 14.197 4.482 1.00 53.25 H new ATOM 1145 N GLN A 75 5.511 12.155 8.589 1.00 23.25 N ATOM 1146 CA GLN A 75 5.083 11.212 9.614 1.00 53.44 C ATOM 1147 C GLN A 75 4.003 10.278 9.077 1.00 12.52 C ATOM 1148 O GLN A 75 4.098 9.060 9.213 1.00 72.34 O ATOM 1149 CB GLN A 75 4.562 11.962 10.841 1.00 70.52 C ATOM 1150 CG GLN A 75 5.583 12.076 11.962 1.00 32.24 C ATOM 1151 CD GLN A 75 5.292 11.135 13.116 1.00 65.01 C ATOM 1152 OE1 GLN A 75 5.393 11.516 14.281 1.00 55.34 O ATOM 1153 NE2 GLN A 75 4.929 9.899 12.794 1.00 25.31 N ATOM 0 H GLN A 75 5.008 13.042 8.596 1.00 23.25 H new ATOM 0 HA GLN A 75 5.946 10.612 9.903 1.00 53.44 H new ATOM 0 HB2 GLN A 75 4.251 12.963 10.540 1.00 70.52 H new ATOM 0 HB3 GLN A 75 3.675 11.453 11.219 1.00 70.52 H new ATOM 0 HG2 GLN A 75 6.576 11.863 11.567 1.00 32.24 H new ATOM 0 HG3 GLN A 75 5.600 13.102 12.330 1.00 32.24 H new ATOM 0 HE21 GLN A 75 4.858 9.627 11.813 1.00 25.31 H new ATOM 0 HE22 GLN A 75 4.721 9.221 13.527 1.00 25.31 H new ATOM 1162 N MET A 76 2.974 10.861 8.467 1.00 73.32 N ATOM 1163 CA MET A 76 1.876 10.080 7.909 1.00 53.11 C ATOM 1164 C MET A 76 2.386 9.089 6.869 1.00 32.32 C ATOM 1165 O MET A 76 1.710 8.114 6.544 1.00 23.20 O ATOM 1166 CB MET A 76 0.833 11.005 7.281 1.00 30.14 C ATOM 1167 CG MET A 76 1.101 11.319 5.818 1.00 1.35 C ATOM 1168 SD MET A 76 -0.136 12.420 5.105 1.00 14.12 S ATOM 1169 CE MET A 76 -0.435 13.529 6.480 1.00 72.21 C ATOM 0 H MET A 76 2.879 11.869 8.347 1.00 73.32 H new ATOM 0 HA MET A 76 1.413 9.519 8.721 1.00 53.11 H new ATOM 0 HB2 MET A 76 -0.151 10.544 7.371 1.00 30.14 H new ATOM 0 HB3 MET A 76 0.800 11.938 7.844 1.00 30.14 H new ATOM 0 HG2 MET A 76 2.086 11.776 5.723 1.00 1.35 H new ATOM 0 HG3 MET A 76 1.125 10.389 5.250 1.00 1.35 H new ATOM 0 HE1 MET A 76 -1.041 14.371 6.144 1.00 72.21 H new ATOM 0 HE2 MET A 76 -0.963 12.995 7.270 1.00 72.21 H new ATOM 0 HE3 MET A 76 0.516 13.897 6.864 1.00 72.21 H new ATOM 1179 N GLN A 77 3.583 9.346 6.351 1.00 23.44 N ATOM 1180 CA GLN A 77 4.184 8.477 5.346 1.00 72.15 C ATOM 1181 C GLN A 77 4.839 7.263 5.998 1.00 41.04 C ATOM 1182 O GLN A 77 4.716 6.141 5.504 1.00 32.12 O ATOM 1183 CB GLN A 77 5.216 9.248 4.524 1.00 1.24 C ATOM 1184 CG GLN A 77 4.835 9.407 3.061 1.00 40.14 C ATOM 1185 CD GLN A 77 6.033 9.350 2.135 1.00 51.02 C ATOM 1186 OE1 GLN A 77 6.997 8.630 2.392 1.00 75.30 O ATOM 1187 NE2 GLN A 77 5.980 10.112 1.049 1.00 64.33 N ATOM 0 H GLN A 77 4.156 10.149 6.611 1.00 23.44 H new ATOM 0 HA GLN A 77 3.392 8.128 4.684 1.00 72.15 H new ATOM 0 HB2 GLN A 77 5.354 10.236 4.964 1.00 1.24 H new ATOM 0 HB3 GLN A 77 6.175 8.734 4.587 1.00 1.24 H new ATOM 0 HG2 GLN A 77 4.131 8.622 2.786 1.00 40.14 H new ATOM 0 HG3 GLN A 77 4.321 10.358 2.925 1.00 40.14 H new ATOM 0 HE21 GLN A 77 5.161 10.694 0.874 1.00 64.33 H new ATOM 0 HE22 GLN A 77 6.758 10.115 0.390 1.00 64.33 H new ATOM 1196 N GLN A 78 5.531 7.494 7.107 1.00 2.52 N ATOM 1197 CA GLN A 78 6.206 6.420 7.825 1.00 42.45 C ATOM 1198 C GLN A 78 5.215 5.338 8.241 1.00 72.51 C ATOM 1199 O GLN A 78 5.530 4.148 8.214 1.00 21.35 O ATOM 1200 CB GLN A 78 6.923 6.973 9.058 1.00 23.11 C ATOM 1201 CG GLN A 78 7.903 5.993 9.682 1.00 32.13 C ATOM 1202 CD GLN A 78 7.401 5.424 10.995 1.00 64.34 C ATOM 1203 OE1 GLN A 78 6.389 5.873 11.534 1.00 12.24 O ATOM 1204 NE2 GLN A 78 8.108 4.427 11.517 1.00 1.53 N ATOM 0 H GLN A 78 5.639 8.416 7.529 1.00 2.52 H new ATOM 0 HA GLN A 78 6.942 5.976 7.155 1.00 42.45 H new ATOM 0 HB2 GLN A 78 7.458 7.881 8.780 1.00 23.11 H new ATOM 0 HB3 GLN A 78 6.180 7.256 9.804 1.00 23.11 H new ATOM 0 HG2 GLN A 78 8.089 5.177 8.984 1.00 32.13 H new ATOM 0 HG3 GLN A 78 8.857 6.494 9.848 1.00 32.13 H new ATOM 0 HE21 GLN A 78 8.941 4.086 11.036 1.00 1.53 H new ATOM 0 HE22 GLN A 78 7.818 4.003 12.398 1.00 1.53 H new ATOM 1213 N LYS A 79 4.016 5.758 8.628 1.00 10.20 N ATOM 1214 CA LYS A 79 2.976 4.827 9.050 1.00 32.12 C ATOM 1215 C LYS A 79 2.499 3.978 7.876 1.00 72.43 C ATOM 1216 O LYS A 79 2.363 2.759 7.994 1.00 12.12 O ATOM 1217 CB LYS A 79 1.796 5.586 9.657 1.00 32.04 C ATOM 1218 CG LYS A 79 1.118 4.848 10.797 1.00 73.31 C ATOM 1219 CD LYS A 79 0.399 5.805 11.732 1.00 54.40 C ATOM 1220 CE LYS A 79 -0.841 5.165 12.339 1.00 52.33 C ATOM 1221 NZ LYS A 79 -2.093 5.694 11.731 1.00 30.21 N ATOM 0 H LYS A 79 3.740 6.739 8.658 1.00 10.20 H new ATOM 0 HA LYS A 79 3.400 4.166 9.806 1.00 32.12 H new ATOM 0 HB2 LYS A 79 2.145 6.553 10.019 1.00 32.04 H new ATOM 0 HB3 LYS A 79 1.062 5.783 8.876 1.00 32.04 H new ATOM 0 HG2 LYS A 79 0.406 4.129 10.393 1.00 73.31 H new ATOM 0 HG3 LYS A 79 1.861 4.280 11.357 1.00 73.31 H new ATOM 0 HD2 LYS A 79 1.076 6.115 12.528 1.00 54.40 H new ATOM 0 HD3 LYS A 79 0.115 6.705 11.186 1.00 54.40 H new ATOM 0 HE2 LYS A 79 -0.798 4.085 12.199 1.00 52.33 H new ATOM 0 HE3 LYS A 79 -0.854 5.347 13.414 1.00 52.33 H new ATOM 0 HZ1 LYS A 79 -2.871 5.617 12.417 1.00 30.21 H new ATOM 0 HZ2 LYS A 79 -1.958 6.692 11.471 1.00 30.21 H new ATOM 0 HZ3 LYS A 79 -2.326 5.143 10.880 1.00 30.21 H new ATOM 1235 N MET A 80 2.246 4.627 6.745 1.00 72.43 N ATOM 1236 CA MET A 80 1.786 3.931 5.550 1.00 74.43 C ATOM 1237 C MET A 80 2.800 2.879 5.109 1.00 0.21 C ATOM 1238 O MET A 80 2.431 1.807 4.631 1.00 53.53 O ATOM 1239 CB MET A 80 1.539 4.927 4.416 1.00 61.15 C ATOM 1240 CG MET A 80 0.076 5.293 4.235 1.00 53.54 C ATOM 1241 SD MET A 80 -0.301 5.849 2.562 1.00 15.33 S ATOM 1242 CE MET A 80 0.782 7.268 2.426 1.00 32.42 C ATOM 0 H MET A 80 2.352 5.635 6.631 1.00 72.43 H new ATOM 0 HA MET A 80 0.849 3.428 5.791 1.00 74.43 H new ATOM 0 HB2 MET A 80 2.110 5.835 4.610 1.00 61.15 H new ATOM 0 HB3 MET A 80 1.917 4.505 3.485 1.00 61.15 H new ATOM 0 HG2 MET A 80 -0.543 4.428 4.474 1.00 53.54 H new ATOM 0 HG3 MET A 80 -0.188 6.079 4.943 1.00 53.54 H new ATOM 0 HE1 MET A 80 0.564 7.805 1.503 1.00 32.42 H new ATOM 0 HE2 MET A 80 0.623 7.930 3.277 1.00 32.42 H new ATOM 0 HE3 MET A 80 1.820 6.934 2.415 1.00 32.42 H new ATOM 1252 N LYS A 81 4.081 3.196 5.270 1.00 55.03 N ATOM 1253 CA LYS A 81 5.149 2.280 4.890 1.00 64.55 C ATOM 1254 C LYS A 81 5.135 1.033 5.768 1.00 41.32 C ATOM 1255 O LYS A 81 5.120 -0.090 5.266 1.00 70.34 O ATOM 1256 CB LYS A 81 6.507 2.976 4.996 1.00 61.33 C ATOM 1257 CG LYS A 81 6.829 3.866 3.808 1.00 11.24 C ATOM 1258 CD LYS A 81 8.102 4.662 4.037 1.00 21.05 C ATOM 1259 CE LYS A 81 9.259 4.115 3.215 1.00 51.00 C ATOM 1260 NZ LYS A 81 9.883 2.925 3.859 1.00 41.51 N ATOM 0 H LYS A 81 4.404 4.081 5.661 1.00 55.03 H new ATOM 0 HA LYS A 81 4.983 1.977 3.856 1.00 64.55 H new ATOM 0 HB2 LYS A 81 6.528 3.577 5.905 1.00 61.33 H new ATOM 0 HB3 LYS A 81 7.286 2.220 5.095 1.00 61.33 H new ATOM 0 HG2 LYS A 81 6.938 3.254 2.913 1.00 11.24 H new ATOM 0 HG3 LYS A 81 5.999 4.549 3.628 1.00 11.24 H new ATOM 0 HD2 LYS A 81 7.931 5.706 3.776 1.00 21.05 H new ATOM 0 HD3 LYS A 81 8.362 4.637 5.095 1.00 21.05 H new ATOM 0 HE2 LYS A 81 8.903 3.845 2.221 1.00 51.00 H new ATOM 0 HE3 LYS A 81 10.011 4.893 3.084 1.00 51.00 H new ATOM 0 HZ1 LYS A 81 10.667 2.582 3.268 1.00 41.51 H new ATOM 0 HZ2 LYS A 81 10.246 3.188 4.797 1.00 41.51 H new ATOM 0 HZ3 LYS A 81 9.172 2.173 3.961 1.00 41.51 H new ATOM 1274 N GLU A 82 5.139 1.239 7.082 1.00 63.44 N ATOM 1275 CA GLU A 82 5.126 0.130 8.028 1.00 72.50 C ATOM 1276 C GLU A 82 3.933 -0.788 7.775 1.00 1.04 C ATOM 1277 O GLU A 82 4.080 -2.008 7.689 1.00 51.52 O ATOM 1278 CB GLU A 82 5.083 0.657 9.464 1.00 33.23 C ATOM 1279 CG GLU A 82 6.322 1.439 9.863 1.00 34.41 C ATOM 1280 CD GLU A 82 6.769 1.142 11.282 1.00 43.34 C ATOM 1281 OE1 GLU A 82 5.949 0.612 12.061 1.00 73.41 O ATOM 1282 OE2 GLU A 82 7.935 1.441 11.612 1.00 74.44 O ATOM 0 H GLU A 82 5.151 2.163 7.514 1.00 63.44 H new ATOM 0 HA GLU A 82 6.041 -0.446 7.887 1.00 72.50 H new ATOM 0 HB2 GLU A 82 4.207 1.295 9.582 1.00 33.23 H new ATOM 0 HB3 GLU A 82 4.959 -0.183 10.147 1.00 33.23 H new ATOM 0 HG2 GLU A 82 7.133 1.203 9.174 1.00 34.41 H new ATOM 0 HG3 GLU A 82 6.121 2.506 9.765 1.00 34.41 H new ATOM 1290 N THR A 83 2.750 -0.192 7.657 1.00 15.11 N ATOM 1291 CA THR A 83 1.532 -0.954 7.416 1.00 43.23 C ATOM 1292 C THR A 83 1.498 -1.503 5.993 1.00 15.24 C ATOM 1293 O THR A 83 0.885 -2.537 5.730 1.00 13.20 O ATOM 1294 CB THR A 83 0.276 -0.096 7.652 1.00 14.43 C ATOM 1295 OG1 THR A 83 0.037 0.048 9.057 1.00 73.20 O ATOM 1296 CG2 THR A 83 -0.941 -0.721 6.987 1.00 42.11 C ATOM 0 H THR A 83 2.610 0.816 7.725 1.00 15.11 H new ATOM 0 HA THR A 83 1.534 -1.784 8.123 1.00 43.23 H new ATOM 0 HB THR A 83 0.447 0.886 7.210 1.00 14.43 H new ATOM 0 HG1 THR A 83 -0.842 0.457 9.199 1.00 73.20 H new ATOM 0 HG21 THR A 83 -1.816 -0.096 7.168 1.00 42.11 H new ATOM 0 HG22 THR A 83 -0.768 -0.801 5.914 1.00 42.11 H new ATOM 0 HG23 THR A 83 -1.112 -1.714 7.402 1.00 42.11 H new ATOM 1304 N LEU A 84 2.162 -0.803 5.080 1.00 33.11 N ATOM 1305 CA LEU A 84 2.209 -1.221 3.682 1.00 11.54 C ATOM 1306 C LEU A 84 3.017 -2.505 3.526 1.00 61.12 C ATOM 1307 O LEU A 84 2.544 -3.479 2.942 1.00 54.11 O ATOM 1308 CB LEU A 84 2.816 -0.114 2.820 1.00 53.44 C ATOM 1309 CG LEU A 84 3.312 -0.537 1.437 1.00 4.13 C ATOM 1310 CD1 LEU A 84 4.736 -1.062 1.518 1.00 32.33 C ATOM 1311 CD2 LEU A 84 2.388 -1.587 0.836 1.00 72.02 C ATOM 0 H LEU A 84 2.675 0.055 5.281 1.00 33.11 H new ATOM 0 HA LEU A 84 1.189 -1.413 3.350 1.00 11.54 H new ATOM 0 HB2 LEU A 84 2.070 0.670 2.692 1.00 53.44 H new ATOM 0 HB3 LEU A 84 3.651 0.326 3.365 1.00 53.44 H new ATOM 0 HG LEU A 84 3.306 0.338 0.787 1.00 4.13 H new ATOM 0 HD11 LEU A 84 5.072 -1.358 0.524 1.00 32.33 H new ATOM 0 HD12 LEU A 84 5.390 -0.281 1.904 1.00 32.33 H new ATOM 0 HD13 LEU A 84 4.769 -1.924 2.184 1.00 32.33 H new ATOM 0 HD21 LEU A 84 2.757 -1.876 -0.148 1.00 72.02 H new ATOM 0 HD22 LEU A 84 2.361 -2.462 1.485 1.00 72.02 H new ATOM 0 HD23 LEU A 84 1.383 -1.176 0.740 1.00 72.02 H new ATOM 1323 N GLN A 85 4.238 -2.498 4.051 1.00 45.41 N ATOM 1324 CA GLN A 85 5.111 -3.664 3.969 1.00 43.31 C ATOM 1325 C GLN A 85 4.515 -4.844 4.728 1.00 41.44 C ATOM 1326 O GLN A 85 4.865 -5.997 4.476 1.00 43.24 O ATOM 1327 CB GLN A 85 6.494 -3.330 4.529 1.00 22.23 C ATOM 1328 CG GLN A 85 6.749 -3.913 5.909 1.00 31.04 C ATOM 1329 CD GLN A 85 7.889 -3.222 6.634 1.00 40.24 C ATOM 1330 OE1 GLN A 85 8.053 -2.005 6.538 1.00 52.42 O ATOM 1331 NE2 GLN A 85 8.682 -3.996 7.364 1.00 42.41 N ATOM 0 H GLN A 85 4.645 -1.699 4.537 1.00 45.41 H new ATOM 0 HA GLN A 85 5.208 -3.942 2.919 1.00 43.31 H new ATOM 0 HB2 GLN A 85 7.254 -3.700 3.841 1.00 22.23 H new ATOM 0 HB3 GLN A 85 6.606 -2.247 4.575 1.00 22.23 H new ATOM 0 HG2 GLN A 85 5.841 -3.832 6.507 1.00 31.04 H new ATOM 0 HG3 GLN A 85 6.975 -4.975 5.814 1.00 31.04 H new ATOM 0 HE21 GLN A 85 8.509 -5.000 7.415 1.00 42.41 H new ATOM 0 HE22 GLN A 85 9.465 -3.587 7.874 1.00 42.41 H new ATOM 1340 N ASN A 86 3.610 -4.550 5.657 1.00 44.11 N ATOM 1341 CA ASN A 86 2.965 -5.587 6.452 1.00 63.33 C ATOM 1342 C ASN A 86 1.735 -6.136 5.736 1.00 22.24 C ATOM 1343 O ASN A 86 1.397 -7.312 5.872 1.00 64.45 O ATOM 1344 CB ASN A 86 2.567 -5.037 7.823 1.00 4.34 C ATOM 1345 CG ASN A 86 3.740 -4.972 8.782 1.00 34.14 C ATOM 1346 OD1 ASN A 86 4.810 -5.519 8.511 1.00 72.53 O ATOM 1347 ND2 ASN A 86 3.544 -4.303 9.913 1.00 73.35 N ATOM 0 H ASN A 86 3.307 -3.601 5.877 1.00 44.11 H new ATOM 0 HA ASN A 86 3.678 -6.400 6.588 1.00 63.33 H new ATOM 0 HB2 ASN A 86 2.144 -4.040 7.703 1.00 4.34 H new ATOM 0 HB3 ASN A 86 1.786 -5.665 8.251 1.00 4.34 H new ATOM 0 HD21 ASN A 86 4.296 -4.227 10.598 1.00 73.35 H new ATOM 0 HD22 ASN A 86 2.641 -3.865 10.097 1.00 73.35 H new ATOM 1354 N VAL A 87 1.069 -5.276 4.972 1.00 33.35 N ATOM 1355 CA VAL A 87 -0.124 -5.674 4.233 1.00 1.24 C ATOM 1356 C VAL A 87 0.226 -6.635 3.103 1.00 21.35 C ATOM 1357 O VAL A 87 -0.475 -7.620 2.872 1.00 24.40 O ATOM 1358 CB VAL A 87 -0.852 -4.451 3.646 1.00 43.42 C ATOM 1359 CG1 VAL A 87 -1.647 -4.846 2.408 1.00 54.21 C ATOM 1360 CG2 VAL A 87 -1.758 -3.818 4.690 1.00 72.02 C ATOM 0 H VAL A 87 1.335 -4.299 4.848 1.00 33.35 H new ATOM 0 HA VAL A 87 -0.784 -6.176 4.941 1.00 1.24 H new ATOM 0 HB VAL A 87 -0.106 -3.714 3.351 1.00 43.42 H new ATOM 0 HG11 VAL A 87 -2.155 -3.969 2.007 1.00 54.21 H new ATOM 0 HG12 VAL A 87 -0.971 -5.250 1.655 1.00 54.21 H new ATOM 0 HG13 VAL A 87 -2.385 -5.602 2.676 1.00 54.21 H new ATOM 0 HG21 VAL A 87 -2.264 -2.955 4.257 1.00 72.02 H new ATOM 0 HG22 VAL A 87 -2.499 -4.547 5.018 1.00 72.02 H new ATOM 0 HG23 VAL A 87 -1.161 -3.498 5.544 1.00 72.02 H new ATOM 1370 N ARG A 88 1.316 -6.342 2.400 1.00 32.40 N ATOM 1371 CA ARG A 88 1.759 -7.181 1.293 1.00 70.32 C ATOM 1372 C ARG A 88 1.801 -8.649 1.706 1.00 22.20 C ATOM 1373 O ARG A 88 1.485 -9.538 0.913 1.00 22.24 O ATOM 1374 CB ARG A 88 3.143 -6.738 0.811 1.00 44.44 C ATOM 1375 CG ARG A 88 3.098 -5.624 -0.223 1.00 53.10 C ATOM 1376 CD ARG A 88 4.429 -4.893 -0.312 1.00 73.30 C ATOM 1377 NE ARG A 88 5.505 -5.768 -0.768 1.00 71.33 N ATOM 1378 CZ ARG A 88 5.667 -6.134 -2.035 1.00 32.54 C ATOM 1379 NH1 ARG A 88 4.829 -5.702 -2.965 1.00 62.30 N ATOM 1380 NH2 ARG A 88 6.671 -6.935 -2.372 1.00 40.41 N ATOM 0 H ARG A 88 1.908 -5.530 2.578 1.00 32.40 H new ATOM 0 HA ARG A 88 1.044 -7.070 0.478 1.00 70.32 H new ATOM 0 HB2 ARG A 88 3.728 -6.404 1.668 1.00 44.44 H new ATOM 0 HB3 ARG A 88 3.663 -7.597 0.386 1.00 44.44 H new ATOM 0 HG2 ARG A 88 2.845 -6.041 -1.198 1.00 53.10 H new ATOM 0 HG3 ARG A 88 2.310 -4.917 0.036 1.00 53.10 H new ATOM 0 HD2 ARG A 88 4.334 -4.049 -0.995 1.00 73.30 H new ATOM 0 HD3 ARG A 88 4.684 -4.484 0.666 1.00 73.30 H new ATOM 0 HE ARG A 88 6.168 -6.117 -0.076 1.00 71.33 H new ATOM 0 HH11 ARG A 88 4.057 -5.087 -2.709 1.00 62.30 H new ATOM 0 HH12 ARG A 88 4.956 -5.985 -3.937 1.00 62.30 H new ATOM 0 HH21 ARG A 88 7.318 -7.270 -1.658 1.00 40.41 H new ATOM 0 HH22 ARG A 88 6.795 -7.216 -3.345 1.00 40.41 H new ATOM 1394 N THR A 89 2.191 -8.899 2.951 1.00 12.11 N ATOM 1395 CA THR A 89 2.275 -10.258 3.469 1.00 61.43 C ATOM 1396 C THR A 89 0.886 -10.837 3.721 1.00 11.22 C ATOM 1397 O THR A 89 0.645 -12.020 3.485 1.00 65.41 O ATOM 1398 CB THR A 89 3.086 -10.313 4.777 1.00 61.13 C ATOM 1399 OG1 THR A 89 4.394 -10.840 4.520 1.00 72.11 O ATOM 1400 CG2 THR A 89 2.383 -11.173 5.815 1.00 44.13 C ATOM 0 H THR A 89 2.454 -8.176 3.621 1.00 12.11 H new ATOM 0 HA THR A 89 2.783 -10.854 2.711 1.00 61.43 H new ATOM 0 HB THR A 89 3.172 -9.299 5.168 1.00 61.13 H new ATOM 0 HG1 THR A 89 4.905 -10.870 5.356 1.00 72.11 H new ATOM 0 HG21 THR A 89 2.975 -11.196 6.730 1.00 44.13 H new ATOM 0 HG22 THR A 89 1.400 -10.754 6.030 1.00 44.13 H new ATOM 0 HG23 THR A 89 2.269 -12.187 5.431 1.00 44.13 H new ATOM 1408 N ARG A 90 -0.021 -9.995 4.203 1.00 0.11 N ATOM 1409 CA ARG A 90 -1.386 -10.424 4.487 1.00 63.30 C ATOM 1410 C ARG A 90 -2.158 -10.672 3.196 1.00 45.04 C ATOM 1411 O ARG A 90 -3.016 -11.555 3.133 1.00 20.33 O ATOM 1412 CB ARG A 90 -2.108 -9.372 5.331 1.00 31.24 C ATOM 1413 CG ARG A 90 -1.370 -9.004 6.609 1.00 22.01 C ATOM 1414 CD ARG A 90 -1.105 -10.226 7.472 1.00 72.24 C ATOM 1415 NE ARG A 90 -0.466 -9.877 8.738 1.00 44.13 N ATOM 1416 CZ ARG A 90 -1.130 -9.422 9.794 1.00 4.41 C ATOM 1417 NH1 ARG A 90 -2.445 -9.263 9.738 1.00 3.14 N ATOM 1418 NH2 ARG A 90 -0.478 -9.124 10.910 1.00 52.52 N ATOM 0 H ARG A 90 0.164 -9.012 4.405 1.00 0.11 H new ATOM 0 HA ARG A 90 -1.337 -11.359 5.046 1.00 63.30 H new ATOM 0 HB2 ARG A 90 -2.250 -8.473 4.732 1.00 31.24 H new ATOM 0 HB3 ARG A 90 -3.100 -9.743 5.588 1.00 31.24 H new ATOM 0 HG2 ARG A 90 -0.425 -8.523 6.358 1.00 22.01 H new ATOM 0 HG3 ARG A 90 -1.957 -8.279 7.173 1.00 22.01 H new ATOM 0 HD2 ARG A 90 -2.046 -10.740 7.671 1.00 72.24 H new ATOM 0 HD3 ARG A 90 -0.470 -10.924 6.926 1.00 72.24 H new ATOM 0 HE ARG A 90 0.545 -9.989 8.815 1.00 44.13 H new ATOM 0 HH11 ARG A 90 -2.950 -9.490 8.882 1.00 3.14 H new ATOM 0 HH12 ARG A 90 -2.952 -8.913 10.551 1.00 3.14 H new ATOM 0 HH21 ARG A 90 0.534 -9.244 10.957 1.00 52.52 H new ATOM 0 HH22 ARG A 90 -0.988 -8.774 11.721 1.00 52.52 H new ATOM 1432 N LEU A 91 -1.849 -9.890 2.168 1.00 61.25 N ATOM 1433 CA LEU A 91 -2.516 -10.026 0.876 1.00 22.43 C ATOM 1434 C LEU A 91 -1.941 -11.198 0.089 1.00 72.25 C ATOM 1435 O LEU A 91 -2.664 -11.888 -0.630 1.00 30.42 O ATOM 1436 CB LEU A 91 -2.371 -8.735 0.068 1.00 32.03 C ATOM 1437 CG LEU A 91 -2.861 -8.791 -1.379 1.00 44.40 C ATOM 1438 CD1 LEU A 91 -4.381 -8.813 -1.426 1.00 73.23 C ATOM 1439 CD2 LEU A 91 -2.320 -7.610 -2.171 1.00 33.44 C ATOM 0 H LEU A 91 -1.142 -9.156 2.203 1.00 61.25 H new ATOM 0 HA LEU A 91 -3.574 -10.217 1.058 1.00 22.43 H new ATOM 0 HB2 LEU A 91 -2.915 -7.944 0.584 1.00 32.03 H new ATOM 0 HB3 LEU A 91 -1.319 -8.449 0.064 1.00 32.03 H new ATOM 0 HG LEU A 91 -2.489 -9.709 -1.833 1.00 44.40 H new ATOM 0 HD11 LEU A 91 -4.712 -8.853 -2.464 1.00 73.23 H new ATOM 0 HD12 LEU A 91 -4.749 -9.690 -0.894 1.00 73.23 H new ATOM 0 HD13 LEU A 91 -4.773 -7.912 -0.954 1.00 73.23 H new ATOM 0 HD21 LEU A 91 -2.679 -7.666 -3.199 1.00 33.44 H new ATOM 0 HD22 LEU A 91 -2.663 -6.680 -1.717 1.00 33.44 H new ATOM 0 HD23 LEU A 91 -1.230 -7.637 -2.165 1.00 33.44 H new ATOM 1451 N GLU A 92 -0.638 -11.420 0.230 1.00 1.42 N ATOM 1452 CA GLU A 92 0.031 -12.511 -0.468 1.00 4.12 C ATOM 1453 C GLU A 92 -0.495 -13.863 0.003 1.00 54.21 C ATOM 1454 O GLU A 92 -0.793 -14.742 -0.805 1.00 44.33 O ATOM 1455 CB GLU A 92 1.544 -12.435 -0.248 1.00 74.23 C ATOM 1456 CG GLU A 92 2.289 -11.743 -1.377 1.00 33.24 C ATOM 1457 CD GLU A 92 2.375 -12.595 -2.628 1.00 51.32 C ATOM 1458 OE1 GLU A 92 3.307 -12.380 -3.429 1.00 1.14 O ATOM 1459 OE2 GLU A 92 1.508 -13.477 -2.807 1.00 13.54 O ATOM 0 H GLU A 92 -0.025 -10.859 0.821 1.00 1.42 H new ATOM 0 HA GLU A 92 -0.180 -12.410 -1.533 1.00 4.12 H new ATOM 0 HB2 GLU A 92 1.741 -11.906 0.684 1.00 74.23 H new ATOM 0 HB3 GLU A 92 1.937 -13.445 -0.130 1.00 74.23 H new ATOM 0 HG2 GLU A 92 1.789 -10.804 -1.615 1.00 33.24 H new ATOM 0 HG3 GLU A 92 3.296 -11.492 -1.043 1.00 33.24 H new ATOM 1467 N ILE A 93 -0.606 -14.022 1.318 1.00 74.20 N ATOM 1468 CA ILE A 93 -1.098 -15.266 1.899 1.00 31.52 C ATOM 1469 C ILE A 93 -2.599 -15.418 1.681 1.00 72.45 C ATOM 1470 O ILE A 93 -3.123 -16.534 1.651 1.00 2.14 O ATOM 1471 CB ILE A 93 -0.798 -15.340 3.408 1.00 3.11 C ATOM 1472 CG1 ILE A 93 0.694 -15.576 3.644 1.00 64.53 C ATOM 1473 CG2 ILE A 93 -1.625 -16.440 4.057 1.00 2.14 C ATOM 1474 CD1 ILE A 93 1.182 -15.072 4.983 1.00 4.35 C ATOM 0 H ILE A 93 -0.362 -13.305 2.001 1.00 74.20 H new ATOM 0 HA ILE A 93 -0.576 -16.079 1.394 1.00 31.52 H new ATOM 0 HB ILE A 93 -1.071 -14.389 3.865 1.00 3.11 H new ATOM 0 HG12 ILE A 93 0.901 -16.644 3.570 1.00 64.53 H new ATOM 0 HG13 ILE A 93 1.261 -15.086 2.852 1.00 64.53 H new ATOM 0 HG21 ILE A 93 -1.403 -16.481 5.123 1.00 2.14 H new ATOM 0 HG22 ILE A 93 -2.685 -16.230 3.915 1.00 2.14 H new ATOM 0 HG23 ILE A 93 -1.380 -17.398 3.598 1.00 2.14 H new ATOM 0 HD11 ILE A 93 2.249 -15.273 5.081 1.00 4.35 H new ATOM 0 HD12 ILE A 93 1.008 -13.998 5.053 1.00 4.35 H new ATOM 0 HD13 ILE A 93 0.642 -15.580 5.782 1.00 4.35 H new ATOM 1486 N LEU A 94 -3.287 -14.292 1.527 1.00 60.12 N ATOM 1487 CA LEU A 94 -4.730 -14.301 1.310 1.00 20.12 C ATOM 1488 C LEU A 94 -5.076 -14.980 -0.011 1.00 1.30 C ATOM 1489 O LEU A 94 -5.935 -15.861 -0.060 1.00 61.40 O ATOM 1490 CB LEU A 94 -5.275 -12.872 1.321 1.00 21.40 C ATOM 1491 CG LEU A 94 -6.061 -12.465 2.566 1.00 10.54 C ATOM 1492 CD1 LEU A 94 -6.052 -10.953 2.733 1.00 43.31 C ATOM 1493 CD2 LEU A 94 -7.489 -12.985 2.491 1.00 63.44 C ATOM 0 H LEU A 94 -2.869 -13.362 1.548 1.00 60.12 H new ATOM 0 HA LEU A 94 -5.192 -14.866 2.120 1.00 20.12 H new ATOM 0 HB2 LEU A 94 -4.438 -12.184 1.203 1.00 21.40 H new ATOM 0 HB3 LEU A 94 -5.919 -12.743 0.451 1.00 21.40 H new ATOM 0 HG LEU A 94 -5.579 -12.910 3.436 1.00 10.54 H new ATOM 0 HD11 LEU A 94 -6.617 -10.682 3.625 1.00 43.31 H new ATOM 0 HD12 LEU A 94 -5.024 -10.604 2.834 1.00 43.31 H new ATOM 0 HD13 LEU A 94 -6.508 -10.488 1.859 1.00 43.31 H new ATOM 0 HD21 LEU A 94 -8.033 -12.685 3.387 1.00 63.44 H new ATOM 0 HD22 LEU A 94 -7.981 -12.570 1.611 1.00 63.44 H new ATOM 0 HD23 LEU A 94 -7.477 -14.073 2.421 1.00 63.44 H new ATOM 1505 N GLU A 95 -4.402 -14.565 -1.080 1.00 14.32 N ATOM 1506 CA GLU A 95 -4.641 -15.134 -2.400 1.00 4.53 C ATOM 1507 C GLU A 95 -4.195 -16.592 -2.453 1.00 64.30 C ATOM 1508 O GLU A 95 -5.012 -17.497 -2.630 1.00 30.02 O ATOM 1509 CB GLU A 95 -3.901 -14.326 -3.469 1.00 51.33 C ATOM 1510 CG GLU A 95 -4.123 -12.827 -3.361 1.00 43.32 C ATOM 1511 CD GLU A 95 -3.134 -12.029 -4.188 1.00 62.22 C ATOM 1512 OE1 GLU A 95 -2.684 -10.967 -3.710 1.00 3.34 O ATOM 1513 OE2 GLU A 95 -2.810 -12.465 -5.312 1.00 73.24 O ATOM 0 H GLU A 95 -3.687 -13.838 -1.057 1.00 14.32 H new ATOM 0 HA GLU A 95 -5.712 -15.091 -2.597 1.00 4.53 H new ATOM 0 HB2 GLU A 95 -2.833 -14.533 -3.395 1.00 51.33 H new ATOM 0 HB3 GLU A 95 -4.223 -14.662 -4.454 1.00 51.33 H new ATOM 0 HG2 GLU A 95 -5.136 -12.589 -3.685 1.00 43.32 H new ATOM 0 HG3 GLU A 95 -4.043 -12.526 -2.316 1.00 43.32 H new ATOM 1521 N LYS A 96 -2.895 -16.815 -2.298 1.00 11.01 N ATOM 1522 CA LYS A 96 -2.339 -18.163 -2.325 1.00 1.11 C ATOM 1523 C LYS A 96 -3.089 -19.080 -1.363 1.00 14.15 C ATOM 1524 O LYS A 96 -3.157 -20.290 -1.573 1.00 55.44 O ATOM 1525 CB LYS A 96 -0.853 -18.131 -1.963 1.00 71.33 C ATOM 1526 CG LYS A 96 -0.567 -18.536 -0.527 1.00 41.13 C ATOM 1527 CD LYS A 96 0.876 -18.253 -0.143 1.00 42.32 C ATOM 1528 CE LYS A 96 1.513 -19.448 0.547 1.00 23.21 C ATOM 1529 NZ LYS A 96 2.979 -19.262 0.735 1.00 1.43 N ATOM 0 H LYS A 96 -2.205 -16.078 -2.152 1.00 11.01 H new ATOM 0 HA LYS A 96 -2.452 -18.556 -3.335 1.00 1.11 H new ATOM 0 HB2 LYS A 96 -0.310 -18.796 -2.634 1.00 71.33 H new ATOM 0 HB3 LYS A 96 -0.468 -17.125 -2.131 1.00 71.33 H new ATOM 0 HG2 LYS A 96 -1.235 -17.996 0.144 1.00 41.13 H new ATOM 0 HG3 LYS A 96 -0.777 -19.598 -0.399 1.00 41.13 H new ATOM 0 HD2 LYS A 96 1.448 -17.999 -1.035 1.00 42.32 H new ATOM 0 HD3 LYS A 96 0.915 -17.387 0.518 1.00 42.32 H new ATOM 0 HE2 LYS A 96 1.039 -19.603 1.516 1.00 23.21 H new ATOM 0 HE3 LYS A 96 1.333 -20.347 -0.043 1.00 23.21 H new ATOM 0 HZ1 LYS A 96 3.377 -20.098 1.209 1.00 1.43 H new ATOM 0 HZ2 LYS A 96 3.435 -19.139 -0.192 1.00 1.43 H new ATOM 0 HZ3 LYS A 96 3.150 -18.419 1.319 1.00 1.43 H new ATOM 1543 N GLY A 97 -3.649 -18.494 -0.309 1.00 71.51 N ATOM 1544 CA GLY A 97 -4.386 -19.273 0.668 1.00 73.13 C ATOM 1545 C GLY A 97 -5.535 -18.498 1.282 1.00 4.34 C ATOM 1546 O GLY A 97 -5.482 -18.114 2.451 1.00 22.11 O ATOM 0 H GLY A 97 -3.605 -17.494 -0.115 1.00 71.51 H new ATOM 0 HA2 GLY A 97 -4.773 -20.174 0.192 1.00 73.13 H new ATOM 0 HA3 GLY A 97 -3.707 -19.596 1.457 1.00 73.13 H new ATOM 1550 N LEU A 98 -6.576 -18.265 0.490 1.00 55.23 N ATOM 1551 CA LEU A 98 -7.744 -17.527 0.962 1.00 74.21 C ATOM 1552 C LEU A 98 -8.588 -18.385 1.901 1.00 64.52 C ATOM 1553 O LEU A 98 -9.040 -17.919 2.946 1.00 62.22 O ATOM 1554 CB LEU A 98 -8.592 -17.064 -0.224 1.00 72.21 C ATOM 1555 CG LEU A 98 -8.950 -18.136 -1.254 1.00 24.50 C ATOM 1556 CD1 LEU A 98 -10.399 -18.567 -1.096 1.00 35.10 C ATOM 1557 CD2 LEU A 98 -8.694 -17.626 -2.665 1.00 73.11 C ATOM 0 H LEU A 98 -6.636 -18.575 -0.480 1.00 55.23 H new ATOM 0 HA LEU A 98 -7.394 -16.655 1.513 1.00 74.21 H new ATOM 0 HB2 LEU A 98 -9.517 -16.636 0.162 1.00 72.21 H new ATOM 0 HB3 LEU A 98 -8.059 -16.262 -0.735 1.00 72.21 H new ATOM 0 HG LEU A 98 -8.314 -19.004 -1.081 1.00 24.50 H new ATOM 0 HD11 LEU A 98 -10.635 -19.330 -1.838 1.00 35.10 H new ATOM 0 HD12 LEU A 98 -10.551 -18.974 -0.096 1.00 35.10 H new ATOM 0 HD13 LEU A 98 -11.052 -17.707 -1.241 1.00 35.10 H new ATOM 0 HD21 LEU A 98 -8.954 -18.402 -3.385 1.00 73.11 H new ATOM 0 HD22 LEU A 98 -9.304 -16.741 -2.848 1.00 73.11 H new ATOM 0 HD23 LEU A 98 -7.640 -17.369 -2.773 1.00 73.11 H new ATOM 1569 N ALA A 99 -8.794 -19.642 1.521 1.00 24.13 N ATOM 1570 CA ALA A 99 -9.577 -20.566 2.329 1.00 54.44 C ATOM 1571 C ALA A 99 -8.676 -21.451 3.183 1.00 62.01 C ATOM 1572 O ALA A 99 -8.319 -22.561 2.784 1.00 14.30 O ATOM 1573 CB ALA A 99 -10.470 -21.420 1.440 1.00 62.23 C ATOM 0 H ALA A 99 -8.428 -20.043 0.657 1.00 24.13 H new ATOM 0 HA ALA A 99 -10.205 -19.979 2.999 1.00 54.44 H new ATOM 0 HB1 ALA A 99 -11.049 -22.106 2.058 1.00 62.23 H new ATOM 0 HB2 ALA A 99 -11.148 -20.776 0.879 1.00 62.23 H new ATOM 0 HB3 ALA A 99 -9.853 -21.990 0.745 1.00 62.23 H new ATOM 1579 N THR A 100 -8.311 -20.954 4.360 1.00 30.13 N ATOM 1580 CA THR A 100 -7.448 -21.699 5.269 1.00 51.33 C ATOM 1581 C THR A 100 -7.751 -21.351 6.722 1.00 75.11 C ATOM 1582 O THR A 100 -7.378 -20.282 7.206 1.00 60.30 O ATOM 1583 CB THR A 100 -5.959 -21.419 4.987 1.00 41.12 C ATOM 1584 OG1 THR A 100 -5.760 -20.022 4.746 1.00 42.54 O ATOM 1585 CG2 THR A 100 -5.477 -22.220 3.787 1.00 12.12 C ATOM 0 H THR A 100 -8.599 -20.039 4.707 1.00 30.13 H new ATOM 0 HA THR A 100 -7.650 -22.757 5.100 1.00 51.33 H new ATOM 0 HB THR A 100 -5.383 -21.721 5.861 1.00 41.12 H new ATOM 0 HG1 THR A 100 -5.748 -19.855 3.780 1.00 42.54 H new ATOM 0 HG21 THR A 100 -4.423 -22.007 3.606 1.00 12.12 H new ATOM 0 HG22 THR A 100 -5.603 -23.284 3.986 1.00 12.12 H new ATOM 0 HG23 THR A 100 -6.059 -21.944 2.908 1.00 12.12 H new ATOM 1593 N SER A 101 -8.430 -22.260 7.414 1.00 73.54 N ATOM 1594 CA SER A 101 -8.787 -22.049 8.813 1.00 44.22 C ATOM 1595 C SER A 101 -7.616 -22.391 9.728 1.00 33.20 C ATOM 1596 O SER A 101 -6.536 -22.759 9.265 1.00 42.30 O ATOM 1597 CB SER A 101 -10.005 -22.897 9.183 1.00 12.33 C ATOM 1598 OG SER A 101 -11.125 -22.079 9.477 1.00 61.42 O ATOM 0 H SER A 101 -8.744 -23.151 7.029 1.00 73.54 H new ATOM 0 HA SER A 101 -9.034 -20.996 8.946 1.00 44.22 H new ATOM 0 HB2 SER A 101 -10.248 -23.569 8.360 1.00 12.33 H new ATOM 0 HB3 SER A 101 -9.770 -23.521 10.045 1.00 12.33 H new ATOM 0 HG SER A 101 -11.891 -22.644 9.709 1.00 61.42 H new ATOM 1604 N LEU A 102 -7.838 -22.267 11.033 1.00 62.41 N ATOM 1605 CA LEU A 102 -6.803 -22.562 12.017 1.00 70.14 C ATOM 1606 C LEU A 102 -6.706 -24.064 12.271 1.00 50.51 C ATOM 1607 O LEU A 102 -7.500 -24.843 11.747 1.00 45.13 O ATOM 1608 CB LEU A 102 -7.092 -21.829 13.328 1.00 45.51 C ATOM 1609 CG LEU A 102 -6.201 -20.625 13.635 1.00 73.55 C ATOM 1610 CD1 LEU A 102 -6.432 -19.515 12.621 1.00 73.45 C ATOM 1611 CD2 LEU A 102 -6.453 -20.121 15.048 1.00 71.00 C ATOM 0 H LEU A 102 -8.726 -21.964 11.433 1.00 62.41 H new ATOM 0 HA LEU A 102 -5.849 -22.216 11.619 1.00 70.14 H new ATOM 0 HB2 LEU A 102 -8.129 -21.493 13.312 1.00 45.51 H new ATOM 0 HB3 LEU A 102 -7.000 -22.542 14.147 1.00 45.51 H new ATOM 0 HG LEU A 102 -5.160 -20.941 13.564 1.00 73.55 H new ATOM 0 HD11 LEU A 102 -5.789 -18.667 12.857 1.00 73.45 H new ATOM 0 HD12 LEU A 102 -6.198 -19.881 11.621 1.00 73.45 H new ATOM 0 HD13 LEU A 102 -7.475 -19.200 12.657 1.00 73.45 H new ATOM 0 HD21 LEU A 102 -5.810 -19.264 15.249 1.00 71.00 H new ATOM 0 HD22 LEU A 102 -7.497 -19.823 15.147 1.00 71.00 H new ATOM 0 HD23 LEU A 102 -6.233 -20.915 15.762 1.00 71.00 H new ATOM 1623 N GLN A 103 -5.730 -24.458 13.082 1.00 60.32 N ATOM 1624 CA GLN A 103 -5.532 -25.866 13.406 1.00 34.41 C ATOM 1625 C GLN A 103 -4.700 -26.020 14.676 1.00 31.32 C ATOM 1626 O GLN A 103 -3.474 -26.106 14.620 1.00 4.40 O ATOM 1627 CB GLN A 103 -4.848 -26.589 12.245 1.00 53.22 C ATOM 1628 CG GLN A 103 -4.815 -28.101 12.403 1.00 53.44 C ATOM 1629 CD GLN A 103 -6.106 -28.761 11.962 1.00 51.33 C ATOM 1630 OE1 GLN A 103 -7.199 -28.307 12.304 1.00 2.33 O ATOM 1631 NE2 GLN A 103 -5.989 -29.840 11.197 1.00 30.11 N ATOM 0 H GLN A 103 -5.065 -23.824 13.526 1.00 60.32 H new ATOM 0 HA GLN A 103 -6.511 -26.314 13.576 1.00 34.41 H new ATOM 0 HB2 GLN A 103 -5.365 -26.340 11.318 1.00 53.22 H new ATOM 0 HB3 GLN A 103 -3.827 -26.220 12.149 1.00 53.22 H new ATOM 0 HG2 GLN A 103 -3.987 -28.506 11.821 1.00 53.44 H new ATOM 0 HG3 GLN A 103 -4.622 -28.350 13.447 1.00 53.44 H new ATOM 0 HE21 GLN A 103 -5.064 -30.183 10.937 1.00 30.11 H new ATOM 0 HE22 GLN A 103 -6.824 -30.326 10.870 1.00 30.11 H new ATOM 1640 N ASN A 104 -5.376 -26.052 15.820 1.00 73.01 N ATOM 1641 CA ASN A 104 -4.698 -26.195 17.104 1.00 72.13 C ATOM 1642 C ASN A 104 -5.388 -27.244 17.969 1.00 52.42 C ATOM 1643 O ASN A 104 -6.088 -26.913 18.927 1.00 5.20 O ATOM 1644 CB ASN A 104 -4.666 -24.852 17.838 1.00 54.00 C ATOM 1645 CG ASN A 104 -5.604 -23.833 17.220 1.00 35.43 C ATOM 1646 OD1 ASN A 104 -6.750 -23.688 17.648 1.00 72.23 O ATOM 1647 ND2 ASN A 104 -5.120 -23.120 16.210 1.00 34.53 N ATOM 0 H ASN A 104 -6.391 -25.981 15.884 1.00 73.01 H new ATOM 0 HA ASN A 104 -3.676 -26.523 16.914 1.00 72.13 H new ATOM 0 HB2 ASN A 104 -4.938 -25.005 18.882 1.00 54.00 H new ATOM 0 HB3 ASN A 104 -3.649 -24.459 17.827 1.00 54.00 H new ATOM 0 HD21 ASN A 104 -5.704 -22.418 15.755 1.00 34.53 H new ATOM 0 HD22 ASN A 104 -4.164 -23.274 15.889 1.00 34.53 H new ATOM 1654 N ASP A 105 -5.186 -28.511 17.627 1.00 72.42 N ATOM 1655 CA ASP A 105 -5.787 -29.611 18.373 1.00 24.04 C ATOM 1656 C ASP A 105 -4.819 -30.785 18.484 1.00 31.44 C ATOM 1657 O ASP A 105 -5.214 -31.944 18.346 1.00 14.03 O ATOM 1658 CB ASP A 105 -7.083 -30.064 17.700 1.00 73.12 C ATOM 1659 CG ASP A 105 -6.974 -30.085 16.189 1.00 10.42 C ATOM 1660 OD1 ASP A 105 -7.291 -31.131 15.585 1.00 42.01 O ATOM 1661 OD2 ASP A 105 -6.573 -29.054 15.609 1.00 11.31 O ATOM 0 H ASP A 105 -4.610 -28.803 16.837 1.00 72.42 H new ATOM 0 HA ASP A 105 -6.014 -29.255 19.378 1.00 24.04 H new ATOM 0 HB2 ASP A 105 -7.345 -31.060 18.056 1.00 73.12 H new ATOM 0 HB3 ASP A 105 -7.894 -29.397 17.994 1.00 73.12 H new ATOM 1667 N LEU A 106 -3.550 -30.480 18.731 1.00 10.22 N ATOM 1668 CA LEU A 106 -2.525 -31.509 18.859 1.00 41.11 C ATOM 1669 C LEU A 106 -2.339 -31.914 20.317 1.00 42.10 C ATOM 1670 O LEU A 106 -2.236 -31.062 21.199 1.00 21.23 O ATOM 1671 CB LEU A 106 -1.199 -31.011 18.281 1.00 14.45 C ATOM 1672 CG LEU A 106 -0.756 -31.651 16.966 1.00 1.33 C ATOM 1673 CD1 LEU A 106 0.315 -30.805 16.295 1.00 3.32 C ATOM 1674 CD2 LEU A 106 -0.248 -33.065 17.205 1.00 43.13 C ATOM 0 H LEU A 106 -3.206 -29.527 18.847 1.00 10.22 H new ATOM 0 HA LEU A 106 -2.852 -32.384 18.298 1.00 41.11 H new ATOM 0 HB2 LEU A 106 -1.273 -29.934 18.130 1.00 14.45 H new ATOM 0 HB3 LEU A 106 -0.418 -31.176 19.023 1.00 14.45 H new ATOM 0 HG LEU A 106 -1.618 -31.704 16.302 1.00 1.33 H new ATOM 0 HD11 LEU A 106 0.618 -31.276 15.360 1.00 3.32 H new ATOM 0 HD12 LEU A 106 -0.083 -29.811 16.088 1.00 3.32 H new ATOM 0 HD13 LEU A 106 1.178 -30.720 16.955 1.00 3.32 H new ATOM 0 HD21 LEU A 106 0.063 -33.505 16.257 1.00 43.13 H new ATOM 0 HD22 LEU A 106 0.601 -33.036 17.888 1.00 43.13 H new ATOM 0 HD23 LEU A 106 -1.044 -33.669 17.641 1.00 43.13 H new ATOM 1686 N GLN A 107 -2.295 -33.219 20.563 1.00 63.11 N ATOM 1687 CA GLN A 107 -2.119 -33.737 21.916 1.00 2.12 C ATOM 1688 C GLN A 107 -1.574 -35.161 21.887 1.00 4.21 C ATOM 1689 O GLN A 107 -2.017 -36.019 22.649 1.00 42.04 O ATOM 1690 CB GLN A 107 -3.447 -33.701 22.674 1.00 24.24 C ATOM 1691 CG GLN A 107 -3.337 -33.096 24.065 1.00 24.51 C ATOM 1692 CD GLN A 107 -3.777 -31.646 24.106 1.00 12.31 C ATOM 1693 OE1 GLN A 107 -4.971 -31.349 24.138 1.00 3.11 O ATOM 1694 NE2 GLN A 107 -2.812 -30.734 24.106 1.00 21.41 N ATOM 0 H GLN A 107 -2.379 -33.938 19.844 1.00 63.11 H new ATOM 0 HA GLN A 107 -1.397 -33.103 22.431 1.00 2.12 H new ATOM 0 HB2 GLN A 107 -4.171 -33.129 22.094 1.00 24.24 H new ATOM 0 HB3 GLN A 107 -3.836 -34.716 22.758 1.00 24.24 H new ATOM 0 HG2 GLN A 107 -3.945 -33.676 24.759 1.00 24.51 H new ATOM 0 HG3 GLN A 107 -2.305 -33.169 24.408 1.00 24.51 H new ATOM 0 HE21 GLN A 107 -1.835 -31.025 24.079 1.00 21.41 H new ATOM 0 HE22 GLN A 107 -3.048 -29.742 24.133 1.00 21.41 H new ATOM 1703 N GLU A 108 -0.611 -35.403 21.002 1.00 20.14 N ATOM 1704 CA GLU A 108 -0.007 -36.723 20.875 1.00 71.12 C ATOM 1705 C GLU A 108 0.812 -37.071 22.115 1.00 14.55 C ATOM 1706 O GLU A 108 1.148 -36.196 22.915 1.00 60.53 O ATOM 1707 CB GLU A 108 0.882 -36.785 19.631 1.00 41.50 C ATOM 1708 CG GLU A 108 0.903 -38.149 18.963 1.00 71.43 C ATOM 1709 CD GLU A 108 -0.487 -38.650 18.616 1.00 24.33 C ATOM 1710 OE1 GLU A 108 -0.847 -39.757 19.066 1.00 30.22 O ATOM 1711 OE2 GLU A 108 -1.213 -37.934 17.895 1.00 14.33 O ATOM 0 H GLU A 108 -0.234 -34.703 20.364 1.00 20.14 H new ATOM 0 HA GLU A 108 -0.811 -37.452 20.776 1.00 71.12 H new ATOM 0 HB2 GLU A 108 0.537 -36.043 18.911 1.00 41.50 H new ATOM 0 HB3 GLU A 108 1.900 -36.510 19.908 1.00 41.50 H new ATOM 0 HG2 GLU A 108 1.503 -38.095 18.055 1.00 71.43 H new ATOM 0 HG3 GLU A 108 1.389 -38.866 19.625 1.00 71.43 H new ATOM 1719 N VAL A 109 1.127 -38.352 22.270 1.00 72.45 N ATOM 1720 CA VAL A 109 1.905 -38.816 23.413 1.00 43.15 C ATOM 1721 C VAL A 109 2.916 -39.876 22.995 1.00 25.14 C ATOM 1722 O VAL A 109 2.724 -40.604 22.020 1.00 12.44 O ATOM 1723 CB VAL A 109 0.996 -39.394 24.514 1.00 61.11 C ATOM 1724 CG1 VAL A 109 0.688 -38.337 25.562 1.00 51.11 C ATOM 1725 CG2 VAL A 109 -0.285 -39.948 23.909 1.00 53.04 C ATOM 0 H VAL A 109 0.855 -39.088 21.618 1.00 72.45 H new ATOM 0 HA VAL A 109 2.434 -37.949 23.808 1.00 43.15 H new ATOM 0 HB VAL A 109 1.523 -40.213 25.004 1.00 61.11 H new ATOM 0 HG11 VAL A 109 0.045 -38.764 26.331 1.00 51.11 H new ATOM 0 HG12 VAL A 109 1.617 -37.993 26.016 1.00 51.11 H new ATOM 0 HG13 VAL A 109 0.181 -37.495 25.091 1.00 51.11 H new ATOM 0 HG21 VAL A 109 -0.916 -40.353 24.700 1.00 53.04 H new ATOM 0 HG22 VAL A 109 -0.818 -39.150 23.392 1.00 53.04 H new ATOM 0 HG23 VAL A 109 -0.040 -40.739 23.200 1.00 53.04 H new ATOM 1735 N PRO A 110 4.023 -39.969 23.747 1.00 31.12 N ATOM 1736 CA PRO A 110 5.088 -40.939 23.475 1.00 11.33 C ATOM 1737 C PRO A 110 4.653 -42.372 23.763 1.00 22.23 C ATOM 1738 O PRO A 110 4.107 -42.662 24.826 1.00 75.22 O ATOM 1739 CB PRO A 110 6.206 -40.515 24.430 1.00 73.10 C ATOM 1740 CG PRO A 110 5.507 -39.814 25.545 1.00 71.42 C ATOM 1741 CD PRO A 110 4.320 -39.133 24.923 1.00 55.25 C ATOM 0 HA PRO A 110 5.383 -40.938 22.426 1.00 11.33 H new ATOM 0 HB2 PRO A 110 6.765 -41.378 24.793 1.00 73.10 H new ATOM 0 HB3 PRO A 110 6.921 -39.857 23.935 1.00 73.10 H new ATOM 0 HG2 PRO A 110 5.194 -40.519 26.315 1.00 71.42 H new ATOM 0 HG3 PRO A 110 6.165 -39.090 26.025 1.00 71.42 H new ATOM 0 HD2 PRO A 110 3.475 -39.092 25.610 1.00 55.25 H new ATOM 0 HD3 PRO A 110 4.550 -38.106 24.638 1.00 55.25 H new ATOM 1749 N SER A 111 4.902 -43.263 22.810 1.00 42.24 N ATOM 1750 CA SER A 111 4.534 -44.667 22.959 1.00 10.23 C ATOM 1751 C SER A 111 5.536 -45.399 23.846 1.00 62.15 C ATOM 1752 O SER A 111 6.738 -45.141 23.789 1.00 61.21 O ATOM 1753 CB SER A 111 4.457 -45.344 21.591 1.00 61.15 C ATOM 1754 OG SER A 111 3.117 -45.426 21.135 1.00 14.44 O ATOM 0 H SER A 111 5.357 -43.038 21.925 1.00 42.24 H new ATOM 0 HA SER A 111 3.554 -44.712 23.434 1.00 10.23 H new ATOM 0 HB2 SER A 111 5.055 -44.785 20.871 1.00 61.15 H new ATOM 0 HB3 SER A 111 4.885 -46.345 21.653 1.00 61.15 H new ATOM 0 HG SER A 111 3.096 -45.862 20.257 1.00 14.44 H new ATOM 1760 N GLY A 112 5.031 -46.314 24.668 1.00 52.01 N ATOM 1761 CA GLY A 112 5.893 -47.071 25.556 1.00 32.35 C ATOM 1762 C GLY A 112 5.587 -48.555 25.537 1.00 20.22 C ATOM 1763 O GLY A 112 6.308 -49.352 24.937 1.00 31.34 O ATOM 0 H GLY A 112 4.040 -46.544 24.735 1.00 52.01 H new ATOM 0 HA2 GLY A 112 6.933 -46.914 25.269 1.00 32.35 H new ATOM 0 HA3 GLY A 112 5.783 -46.694 26.573 1.00 32.35 H new ATOM 1767 N PRO A 113 4.493 -48.946 26.210 1.00 3.44 N ATOM 1768 CA PRO A 113 4.069 -50.346 26.284 1.00 10.23 C ATOM 1769 C PRO A 113 3.553 -50.868 24.947 1.00 43.03 C ATOM 1770 O PRO A 113 2.357 -50.804 24.666 1.00 5.14 O ATOM 1771 CB PRO A 113 2.942 -50.320 27.320 1.00 65.32 C ATOM 1772 CG PRO A 113 2.412 -48.930 27.267 1.00 41.25 C ATOM 1773 CD PRO A 113 3.589 -48.050 26.948 1.00 42.45 C ATOM 0 HA PRO A 113 4.894 -51.008 26.547 1.00 10.23 H new ATOM 0 HB2 PRO A 113 2.167 -51.049 27.081 1.00 65.32 H new ATOM 0 HB3 PRO A 113 3.313 -50.565 28.315 1.00 65.32 H new ATOM 0 HG2 PRO A 113 1.637 -48.837 26.506 1.00 41.25 H new ATOM 0 HG3 PRO A 113 1.960 -48.648 28.218 1.00 41.25 H new ATOM 0 HD2 PRO A 113 3.296 -47.190 26.346 1.00 42.45 H new ATOM 0 HD3 PRO A 113 4.058 -47.662 27.852 1.00 42.45 H new ATOM 1781 N SER A 114 4.463 -51.383 24.127 1.00 10.43 N ATOM 1782 CA SER A 114 4.101 -51.913 22.818 1.00 53.41 C ATOM 1783 C SER A 114 4.641 -53.327 22.634 1.00 12.42 C ATOM 1784 O SER A 114 5.082 -53.700 21.548 1.00 30.12 O ATOM 1785 CB SER A 114 4.635 -51.003 21.710 1.00 33.41 C ATOM 1786 OG SER A 114 3.696 -49.995 21.380 1.00 12.00 O ATOM 0 H SER A 114 5.457 -51.445 24.346 1.00 10.43 H new ATOM 0 HA SER A 114 3.013 -51.948 22.757 1.00 53.41 H new ATOM 0 HB2 SER A 114 5.569 -50.543 22.032 1.00 33.41 H new ATOM 0 HB3 SER A 114 4.861 -51.597 20.825 1.00 33.41 H new ATOM 0 HG SER A 114 4.062 -49.426 20.671 1.00 12.00 H new ATOM 1792 N SER A 115 4.603 -54.112 23.707 1.00 10.01 N ATOM 1793 CA SER A 115 5.093 -55.485 23.667 1.00 2.53 C ATOM 1794 C SER A 115 3.933 -56.476 23.660 1.00 24.00 C ATOM 1795 O SER A 115 4.053 -57.594 24.158 1.00 21.15 O ATOM 1796 CB SER A 115 6.004 -55.759 24.865 1.00 12.41 C ATOM 1797 OG SER A 115 5.256 -55.847 26.066 1.00 51.52 O ATOM 0 H SER A 115 4.238 -53.821 24.614 1.00 10.01 H new ATOM 0 HA SER A 115 5.664 -55.614 22.748 1.00 2.53 H new ATOM 0 HB2 SER A 115 6.551 -56.688 24.705 1.00 12.41 H new ATOM 0 HB3 SER A 115 6.745 -54.964 24.952 1.00 12.41 H new ATOM 0 HG SER A 115 5.861 -56.024 26.816 1.00 51.52 H new ATOM 1803 N GLY A 116 2.808 -56.055 23.091 1.00 43.22 N ATOM 1804 CA GLY A 116 1.641 -56.916 23.028 1.00 11.51 C ATOM 1805 C GLY A 116 1.889 -58.170 22.215 1.00 62.23 C ATOM 1806 O GLY A 116 3.029 -58.614 22.078 1.00 42.22 O ATOM 0 H GLY A 116 2.684 -55.133 22.672 1.00 43.22 H new ATOM 0 HA2 GLY A 116 1.344 -57.195 24.039 1.00 11.51 H new ATOM 0 HA3 GLY A 116 0.809 -56.363 22.593 1.00 11.51 H new TER 1810 GLY A 116