USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1109 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 25 SER OG : rot -53:sc= 1.97 USER MOD Set 1.2: A 143 LYS NZ :NH3+ -170:sc= 0.51! (180deg=-0.339) USER MOD Set 2.1: A 7 ASN :FLIP amide:sc= 0.478 F(o=1.5,f=3.1) USER MOD Set 2.2: A 36 TYR OH : rot 8:sc= 0.691 USER MOD Set 2.3: A 57 SER OG : rot 173:sc= 0.791 USER MOD Set 2.4: A 59 THR OG1 : rot -81:sc= 1.14 USER MOD Set 3.1: A 52 ASN : amide:sc= 1 K(o=1.3,f=-3.8!) USER MOD Set 3.2: A 53 ASN : amide:sc= 0.303 K(o=1.3,f=0.55) USER MOD Set 4.1: A 38 ASN : amide:sc= 0.919 K(o=2.3,f=-1.5) USER MOD Set 4.2: A 40 THR OG1 : rot 73:sc= 1.33 USER MOD Set 5.1: A 21 SER OG : rot 150:sc= 0.408 USER MOD Set 5.2: A 93 THR OG1 : rot 112:sc= 0.48 USER MOD Single : A 5 MET CE :methyl -163:sc= -1.43 (180deg=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 9 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 2.09 (180deg=1.94) USER MOD Single : A 17 SER OG : rot 180:sc= -0.231 USER MOD Single : A 22 ASN : amide:sc= -0.662 K(o=-0.66,f=-1.5!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 29 ASN : amide:sc= -0.95 K(o=-0.95,f=-3.4!) USER MOD Single : A 33 THR OG1 : rot 50:sc= 0.903 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 44 SER OG : rot 102:sc= 1.27 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 46:sc=0.000233 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 58 SER OG : rot 39:sc= 0.395 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 64 SER OG : rot -100:sc= -0.0711 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= 0.492 (180deg=0.076) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= -0.116 (180deg=-0.551) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 1.47 (180deg=1.44) USER MOD Single : A 75 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.017) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00113 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot -164:sc= 1.22 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 40:sc= 0.496 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -82:sc= 1.3 USER MOD Single : A 96 SER OG : rot -39:sc= 0.00197 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.09) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 108 GLN : amide:sc= 0.566 K(o=0.57,f=-3.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.083) USER MOD Single : A 114 CYS SG : rot -175:sc= 1.19 USER MOD Single : A 115 ASN : amide:sc= 1.06 K(o=1.1,f=-0.084) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -75:sc= 1.26 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.116 USER MOD Single : A 128 LYS NZ :NH3+ -147:sc= -0.665 (180deg=-2.14!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.2) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 24:sc= 0.0938 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 179:sc= 0 (180deg=-8.26e-05) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N MET A 5 18.098 -2.403 3.315 1.00 14.01 N ATOM 61 CA MET A 5 17.304 -3.616 3.180 1.00 65.53 C ATOM 62 C MET A 5 17.136 -3.984 1.696 1.00 23.24 C ATOM 63 O MET A 5 17.356 -3.154 0.806 1.00 74.14 O ATOM 64 CB MET A 5 15.946 -3.407 3.871 1.00 10.34 C ATOM 65 CG MET A 5 15.077 -2.337 3.224 1.00 53.02 C ATOM 66 SD MET A 5 15.489 -0.630 3.658 1.00 32.23 S ATOM 67 CE MET A 5 14.554 0.182 2.347 1.00 13.44 C ATOM 0 HA MET A 5 17.814 -4.449 3.663 1.00 65.53 H new ATOM 0 HB2 MET A 5 15.401 -4.351 3.871 1.00 10.34 H new ATOM 0 HB3 MET A 5 16.118 -3.139 4.913 1.00 10.34 H new ATOM 0 HG2 MET A 5 15.145 -2.444 2.141 1.00 53.02 H new ATOM 0 HG3 MET A 5 14.039 -2.522 3.498 1.00 53.02 H new ATOM 0 HE1 MET A 5 14.900 1.210 2.236 1.00 13.44 H new ATOM 0 HE2 MET A 5 14.702 -0.354 1.409 1.00 13.44 H new ATOM 0 HE3 MET A 5 13.494 0.181 2.602 1.00 13.44 H new ATOM 77 N THR A 6 16.701 -5.216 1.443 1.00 54.14 N ATOM 78 CA THR A 6 16.410 -5.807 0.137 1.00 4.21 C ATOM 79 C THR A 6 14.998 -5.429 -0.330 1.00 45.21 C ATOM 80 O THR A 6 14.251 -4.809 0.429 1.00 72.52 O ATOM 81 CB THR A 6 16.481 -7.334 0.311 1.00 32.23 C ATOM 82 OG1 THR A 6 15.645 -7.711 1.393 1.00 63.54 O ATOM 83 CG2 THR A 6 17.893 -7.827 0.609 1.00 44.02 C ATOM 0 H THR A 6 16.530 -5.877 2.201 1.00 54.14 H new ATOM 0 HA THR A 6 17.123 -5.446 -0.604 1.00 4.21 H new ATOM 0 HB THR A 6 16.158 -7.782 -0.629 1.00 32.23 H new ATOM 0 HG1 THR A 6 15.682 -8.683 1.511 1.00 63.54 H new ATOM 0 HG21 THR A 6 17.884 -8.911 0.722 1.00 44.02 H new ATOM 0 HG22 THR A 6 18.555 -7.554 -0.213 1.00 44.02 H new ATOM 0 HG23 THR A 6 18.251 -7.369 1.531 1.00 44.02 H new ATOM 91 N ASN A 7 14.586 -5.901 -1.518 1.00 44.05 N ATOM 92 CA ASN A 7 13.179 -5.962 -1.933 1.00 50.13 C ATOM 93 C ASN A 7 12.308 -6.525 -0.821 1.00 50.33 C ATOM 94 O ASN A 7 11.430 -5.815 -0.346 1.00 65.13 O ATOM 95 CB ASN A 7 12.995 -6.858 -3.176 1.00 63.31 C ATOM 96 CG ASN A 7 13.019 -6.167 -4.526 1.00 63.13 C ATOM 97 OD1 ASN A 7 13.534 -4.956 -4.610 1.00 65.51 O flip ATOM 98 ND2 ASN A 7 12.582 -6.749 -5.515 1.00 31.21 N flip ATOM 0 H ASN A 7 15.231 -6.255 -2.225 1.00 44.05 H new ATOM 0 HA ASN A 7 12.880 -4.940 -2.167 1.00 50.13 H new ATOM 0 HB2 ASN A 7 13.779 -7.615 -3.168 1.00 63.31 H new ATOM 0 HB3 ASN A 7 12.044 -7.382 -3.079 1.00 63.31 H new ATOM 0 HD21 ASN A 7 12.189 -7.686 -5.423 1.00 31.21 H new ATOM 0 HD22 ASN A 7 12.612 -6.296 -6.428 1.00 31.21 H new ATOM 105 N GLY A 8 12.526 -7.780 -0.429 1.00 32.21 N ATOM 106 CA GLY A 8 11.679 -8.466 0.536 1.00 1.22 C ATOM 107 C GLY A 8 11.557 -7.702 1.841 1.00 5.21 C ATOM 108 O GLY A 8 10.457 -7.402 2.317 1.00 74.45 O ATOM 0 H GLY A 8 13.299 -8.348 -0.775 1.00 32.21 H new ATOM 0 HA2 GLY A 8 10.687 -8.610 0.108 1.00 1.22 H new ATOM 0 HA3 GLY A 8 12.087 -9.457 0.735 1.00 1.22 H new ATOM 112 N GLN A 9 12.706 -7.340 2.414 1.00 3.01 N ATOM 113 CA GLN A 9 12.727 -6.684 3.706 1.00 54.01 C ATOM 114 C GLN A 9 12.110 -5.279 3.634 1.00 31.13 C ATOM 115 O GLN A 9 11.466 -4.890 4.611 1.00 13.13 O ATOM 116 CB GLN A 9 14.149 -6.678 4.278 1.00 30.32 C ATOM 117 CG GLN A 9 14.765 -8.039 4.652 1.00 45.01 C ATOM 118 CD GLN A 9 13.752 -9.175 4.836 1.00 70.11 C ATOM 119 OE1 GLN A 9 13.021 -9.214 5.824 1.00 12.02 O ATOM 120 NE2 GLN A 9 13.636 -10.081 3.880 1.00 43.01 N ATOM 0 H GLN A 9 13.626 -7.492 2.000 1.00 3.01 H new ATOM 0 HA GLN A 9 12.103 -7.252 4.396 1.00 54.01 H new ATOM 0 HB2 GLN A 9 14.804 -6.200 3.549 1.00 30.32 H new ATOM 0 HB3 GLN A 9 14.152 -6.050 5.169 1.00 30.32 H new ATOM 0 HG2 GLN A 9 15.475 -8.326 3.876 1.00 45.01 H new ATOM 0 HG3 GLN A 9 15.332 -7.924 5.576 1.00 45.01 H new ATOM 0 HE21 GLN A 9 14.246 -10.042 3.064 1.00 43.01 H new ATOM 0 HE22 GLN A 9 12.936 -10.819 3.959 1.00 43.01 H new ATOM 129 N LEU A 10 12.253 -4.532 2.527 1.00 1.20 N ATOM 130 CA LEU A 10 11.563 -3.286 2.267 1.00 51.25 C ATOM 131 C LEU A 10 10.070 -3.570 2.204 1.00 61.34 C ATOM 132 O LEU A 10 9.319 -3.033 3.015 1.00 51.33 O ATOM 133 CB LEU A 10 12.106 -2.710 0.944 1.00 63.52 C ATOM 134 CG LEU A 10 11.646 -1.298 0.575 1.00 32.41 C ATOM 135 CD1 LEU A 10 12.206 -0.952 -0.795 1.00 33.54 C ATOM 136 CD2 LEU A 10 10.162 -1.052 0.585 1.00 3.22 C ATOM 0 H LEU A 10 12.879 -4.801 1.768 1.00 1.20 H new ATOM 0 HA LEU A 10 11.730 -2.550 3.054 1.00 51.25 H new ATOM 0 HB2 LEU A 10 13.195 -2.712 0.992 1.00 63.52 H new ATOM 0 HB3 LEU A 10 11.821 -3.384 0.136 1.00 63.52 H new ATOM 0 HG LEU A 10 12.030 -0.654 1.366 1.00 32.41 H new ATOM 0 HD11 LEU A 10 11.888 0.052 -1.075 1.00 33.54 H new ATOM 0 HD12 LEU A 10 13.295 -0.992 -0.764 1.00 33.54 H new ATOM 0 HD13 LEU A 10 11.837 -1.667 -1.530 1.00 33.54 H new ATOM 0 HD21 LEU A 10 9.963 -0.017 0.307 1.00 3.22 H new ATOM 0 HD22 LEU A 10 9.678 -1.719 -0.129 1.00 3.22 H new ATOM 0 HD23 LEU A 10 9.768 -1.242 1.584 1.00 3.22 H new ATOM 148 N TRP A 11 9.637 -4.394 1.247 1.00 42.05 N ATOM 149 CA TRP A 11 8.230 -4.569 0.924 1.00 11.24 C ATOM 150 C TRP A 11 7.463 -5.007 2.172 1.00 74.12 C ATOM 151 O TRP A 11 6.389 -4.483 2.429 1.00 12.23 O ATOM 152 CB TRP A 11 8.045 -5.548 -0.255 1.00 14.01 C ATOM 153 CG TRP A 11 6.637 -6.008 -0.549 1.00 61.23 C ATOM 154 CD1 TRP A 11 5.844 -5.638 -1.587 1.00 13.02 C ATOM 155 CD2 TRP A 11 5.874 -7.033 0.156 1.00 11.11 C ATOM 156 NE1 TRP A 11 4.623 -6.287 -1.516 1.00 3.22 N ATOM 157 CE2 TRP A 11 4.602 -7.178 -0.470 1.00 50.25 C ATOM 158 CE3 TRP A 11 6.163 -7.901 1.230 1.00 51.24 C ATOM 159 CZ2 TRP A 11 3.665 -8.125 -0.047 1.00 64.51 C ATOM 160 CZ3 TRP A 11 5.237 -8.865 1.661 1.00 70.34 C ATOM 161 CH2 TRP A 11 3.996 -8.981 1.016 1.00 51.05 C ATOM 0 H TRP A 11 10.262 -4.960 0.674 1.00 42.05 H new ATOM 0 HA TRP A 11 7.817 -3.615 0.597 1.00 11.24 H new ATOM 0 HB2 TRP A 11 8.442 -5.075 -1.153 1.00 14.01 H new ATOM 0 HB3 TRP A 11 8.656 -6.430 -0.062 1.00 14.01 H new ATOM 0 HD1 TRP A 11 6.126 -4.937 -2.359 1.00 13.02 H new ATOM 0 HE1 TRP A 11 3.844 -6.125 -2.154 1.00 3.22 H new ATOM 0 HE3 TRP A 11 7.116 -7.823 1.731 1.00 51.24 H new ATOM 0 HZ2 TRP A 11 2.702 -8.197 -0.530 1.00 64.51 H new ATOM 0 HZ3 TRP A 11 5.480 -9.516 2.488 1.00 70.34 H new ATOM 0 HH2 TRP A 11 3.291 -9.733 1.339 1.00 51.05 H new ATOM 172 N LYS A 12 8.044 -5.853 3.032 1.00 11.01 N ATOM 173 CA LYS A 12 7.460 -6.225 4.325 1.00 45.24 C ATOM 174 C LYS A 12 7.073 -5.003 5.159 1.00 61.13 C ATOM 175 O LYS A 12 5.945 -4.934 5.636 1.00 11.44 O ATOM 176 CB LYS A 12 8.452 -7.114 5.091 1.00 34.42 C ATOM 177 CG LYS A 12 8.055 -8.598 5.091 1.00 64.53 C ATOM 178 CD LYS A 12 7.468 -9.019 6.449 1.00 21.30 C ATOM 179 CE LYS A 12 8.576 -9.048 7.514 1.00 21.21 C ATOM 180 NZ LYS A 12 8.237 -8.254 8.711 1.00 45.41 N ATOM 0 H LYS A 12 8.941 -6.302 2.847 1.00 11.01 H new ATOM 0 HA LYS A 12 6.539 -6.777 4.136 1.00 45.24 H new ATOM 0 HB2 LYS A 12 9.442 -7.009 4.648 1.00 34.42 H new ATOM 0 HB3 LYS A 12 8.525 -6.763 6.121 1.00 34.42 H new ATOM 0 HG2 LYS A 12 7.324 -8.781 4.304 1.00 64.53 H new ATOM 0 HG3 LYS A 12 8.928 -9.210 4.864 1.00 64.53 H new ATOM 0 HD2 LYS A 12 6.684 -8.323 6.747 1.00 21.30 H new ATOM 0 HD3 LYS A 12 7.006 -10.003 6.366 1.00 21.30 H new ATOM 0 HE2 LYS A 12 8.764 -10.080 7.809 1.00 21.21 H new ATOM 0 HE3 LYS A 12 9.501 -8.667 7.081 1.00 21.21 H new ATOM 0 HZ1 LYS A 12 9.018 -8.308 9.396 1.00 45.41 H new ATOM 0 HZ2 LYS A 12 8.084 -7.262 8.438 1.00 45.41 H new ATOM 0 HZ3 LYS A 12 7.370 -8.631 9.144 1.00 45.41 H new ATOM 194 N LYS A 13 7.984 -4.044 5.317 1.00 54.34 N ATOM 195 CA LYS A 13 7.758 -2.777 6.027 1.00 63.32 C ATOM 196 C LYS A 13 6.684 -1.917 5.342 1.00 62.31 C ATOM 197 O LYS A 13 6.109 -1.037 5.974 1.00 33.14 O ATOM 198 CB LYS A 13 9.075 -1.988 6.159 1.00 30.23 C ATOM 199 CG LYS A 13 10.201 -2.739 6.897 1.00 74.44 C ATOM 200 CD LYS A 13 11.559 -2.016 6.801 1.00 61.21 C ATOM 201 CE LYS A 13 12.786 -2.945 6.852 1.00 65.34 C ATOM 202 NZ LYS A 13 12.941 -3.665 8.131 1.00 53.03 N ATOM 0 H LYS A 13 8.930 -4.126 4.945 1.00 54.34 H new ATOM 0 HA LYS A 13 7.392 -3.025 7.023 1.00 63.32 H new ATOM 0 HB2 LYS A 13 9.426 -1.723 5.162 1.00 30.23 H new ATOM 0 HB3 LYS A 13 8.873 -1.055 6.685 1.00 30.23 H new ATOM 0 HG2 LYS A 13 9.929 -2.854 7.946 1.00 74.44 H new ATOM 0 HG3 LYS A 13 10.297 -3.742 6.481 1.00 74.44 H new ATOM 0 HD2 LYS A 13 11.588 -1.448 5.871 1.00 61.21 H new ATOM 0 HD3 LYS A 13 11.631 -1.296 7.616 1.00 61.21 H new ATOM 0 HE2 LYS A 13 12.712 -3.673 6.044 1.00 65.34 H new ATOM 0 HE3 LYS A 13 13.684 -2.355 6.668 1.00 65.34 H new ATOM 0 HZ1 LYS A 13 13.787 -4.269 8.089 1.00 53.03 H new ATOM 0 HZ2 LYS A 13 13.044 -2.979 8.906 1.00 53.03 H new ATOM 0 HZ3 LYS A 13 12.102 -4.256 8.301 1.00 53.03 H new ATOM 216 N VAL A 14 6.395 -2.154 4.061 1.00 74.11 N ATOM 217 CA VAL A 14 5.325 -1.509 3.294 1.00 61.31 C ATOM 218 C VAL A 14 4.070 -2.401 3.258 1.00 33.11 C ATOM 219 O VAL A 14 3.026 -1.967 2.776 1.00 4.12 O ATOM 220 CB VAL A 14 5.860 -1.148 1.884 1.00 41.45 C ATOM 221 CG1 VAL A 14 4.848 -0.428 0.982 1.00 14.34 C ATOM 222 CG2 VAL A 14 7.085 -0.230 1.992 1.00 14.33 C ATOM 0 H VAL A 14 6.921 -2.828 3.506 1.00 74.11 H new ATOM 0 HA VAL A 14 5.018 -0.581 3.777 1.00 61.31 H new ATOM 0 HB VAL A 14 6.098 -2.111 1.432 1.00 41.45 H new ATOM 0 HG11 VAL A 14 5.308 -0.215 0.017 1.00 14.34 H new ATOM 0 HG12 VAL A 14 3.975 -1.064 0.835 1.00 14.34 H new ATOM 0 HG13 VAL A 14 4.542 0.506 1.452 1.00 14.34 H new ATOM 0 HG21 VAL A 14 7.447 0.013 0.993 1.00 14.33 H new ATOM 0 HG22 VAL A 14 6.807 0.688 2.510 1.00 14.33 H new ATOM 0 HG23 VAL A 14 7.872 -0.738 2.549 1.00 14.33 H new ATOM 232 N LYS A 15 4.124 -3.634 3.770 1.00 1.12 N ATOM 233 CA LYS A 15 2.997 -4.549 3.893 1.00 65.45 C ATOM 234 C LYS A 15 2.364 -4.396 5.262 1.00 52.01 C ATOM 235 O LYS A 15 1.150 -4.255 5.371 1.00 70.55 O ATOM 236 CB LYS A 15 3.458 -6.002 3.677 1.00 30.30 C ATOM 237 CG LYS A 15 2.251 -6.919 3.432 1.00 71.31 C ATOM 238 CD LYS A 15 1.987 -8.036 4.456 1.00 33.43 C ATOM 239 CE LYS A 15 3.092 -9.101 4.441 1.00 72.23 C ATOM 240 NZ LYS A 15 2.627 -10.428 4.908 1.00 43.05 N ATOM 0 H LYS A 15 4.993 -4.034 4.124 1.00 1.12 H new ATOM 0 HA LYS A 15 2.258 -4.307 3.129 1.00 65.45 H new ATOM 0 HB2 LYS A 15 4.138 -6.051 2.827 1.00 30.30 H new ATOM 0 HB3 LYS A 15 4.013 -6.347 4.549 1.00 30.30 H new ATOM 0 HG2 LYS A 15 1.359 -6.294 3.379 1.00 71.31 H new ATOM 0 HG3 LYS A 15 2.374 -7.383 2.453 1.00 71.31 H new ATOM 0 HD2 LYS A 15 1.914 -7.603 5.454 1.00 33.43 H new ATOM 0 HD3 LYS A 15 1.027 -8.506 4.241 1.00 33.43 H new ATOM 0 HE2 LYS A 15 3.483 -9.196 3.428 1.00 72.23 H new ATOM 0 HE3 LYS A 15 3.917 -8.769 5.072 1.00 72.23 H new ATOM 0 HZ1 LYS A 15 3.347 -11.146 4.687 1.00 43.05 H new ATOM 0 HZ2 LYS A 15 2.471 -10.399 5.936 1.00 43.05 H new ATOM 0 HZ3 LYS A 15 1.737 -10.672 4.429 1.00 43.05 H new ATOM 254 N ASP A 16 3.183 -4.454 6.312 1.00 53.42 N ATOM 255 CA ASP A 16 2.726 -4.548 7.695 1.00 62.42 C ATOM 256 C ASP A 16 2.002 -3.283 8.177 1.00 63.32 C ATOM 257 O ASP A 16 1.226 -3.305 9.130 1.00 42.45 O ATOM 258 CB ASP A 16 3.900 -4.902 8.614 1.00 51.33 C ATOM 259 CG ASP A 16 4.709 -3.725 9.163 1.00 32.14 C ATOM 260 OD1 ASP A 16 4.255 -3.070 10.129 1.00 1.13 O ATOM 261 OD2 ASP A 16 5.862 -3.544 8.716 1.00 62.23 O ATOM 0 H ASP A 16 4.199 -4.437 6.222 1.00 53.42 H new ATOM 0 HA ASP A 16 1.987 -5.348 7.736 1.00 62.42 H new ATOM 0 HB2 ASP A 16 3.514 -5.475 9.457 1.00 51.33 H new ATOM 0 HB3 ASP A 16 4.578 -5.557 8.067 1.00 51.33 H new ATOM 266 N SER A 17 2.186 -2.189 7.458 1.00 24.13 N ATOM 267 CA SER A 17 1.388 -0.976 7.528 1.00 52.53 C ATOM 268 C SER A 17 -0.099 -1.276 7.321 1.00 65.22 C ATOM 269 O SER A 17 -0.946 -0.947 8.146 1.00 13.54 O ATOM 270 CB SER A 17 1.912 -0.005 6.457 1.00 24.23 C ATOM 271 OG SER A 17 2.395 -0.694 5.316 1.00 72.25 O ATOM 0 H SER A 17 2.937 -2.119 6.772 1.00 24.13 H new ATOM 0 HA SER A 17 1.480 -0.527 8.517 1.00 52.53 H new ATOM 0 HB2 SER A 17 1.114 0.675 6.160 1.00 24.23 H new ATOM 0 HB3 SER A 17 2.711 0.605 6.879 1.00 24.23 H new ATOM 0 HG SER A 17 2.718 -0.046 4.655 1.00 72.25 H new ATOM 277 N LEU A 18 -0.407 -1.916 6.197 1.00 42.03 N ATOM 278 CA LEU A 18 -1.766 -2.283 5.792 1.00 13.00 C ATOM 279 C LEU A 18 -2.385 -3.352 6.690 1.00 42.44 C ATOM 280 O LEU A 18 -3.596 -3.508 6.647 1.00 1.33 O ATOM 281 CB LEU A 18 -1.812 -2.793 4.341 1.00 41.21 C ATOM 282 CG LEU A 18 -1.431 -1.811 3.225 1.00 24.33 C ATOM 283 CD1 LEU A 18 -2.163 -0.494 3.368 1.00 50.05 C ATOM 284 CD2 LEU A 18 0.057 -1.513 3.156 1.00 62.45 C ATOM 0 H LEU A 18 0.301 -2.203 5.521 1.00 42.03 H new ATOM 0 HA LEU A 18 -2.345 -1.364 5.884 1.00 13.00 H new ATOM 0 HB2 LEU A 18 -1.150 -3.656 4.268 1.00 41.21 H new ATOM 0 HB3 LEU A 18 -2.823 -3.149 4.143 1.00 41.21 H new ATOM 0 HG LEU A 18 -1.724 -2.316 2.305 1.00 24.33 H new ATOM 0 HD11 LEU A 18 -1.868 0.176 2.560 1.00 50.05 H new ATOM 0 HD12 LEU A 18 -3.238 -0.668 3.321 1.00 50.05 H new ATOM 0 HD13 LEU A 18 -1.911 -0.040 4.326 1.00 50.05 H new ATOM 0 HD21 LEU A 18 0.250 -0.812 2.344 1.00 62.45 H new ATOM 0 HD22 LEU A 18 0.385 -1.075 4.099 1.00 62.45 H new ATOM 0 HD23 LEU A 18 0.605 -2.438 2.975 1.00 62.45 H new ATOM 296 N ILE A 19 -1.567 -4.085 7.446 1.00 10.53 N ATOM 297 CA ILE A 19 -1.991 -5.038 8.477 1.00 31.13 C ATOM 298 C ILE A 19 -2.537 -4.282 9.695 1.00 21.43 C ATOM 299 O ILE A 19 -3.470 -4.736 10.353 1.00 61.35 O ATOM 300 CB ILE A 19 -0.792 -5.914 8.923 1.00 73.24 C ATOM 301 CG1 ILE A 19 -0.114 -6.724 7.807 1.00 24.10 C ATOM 302 CG2 ILE A 19 -1.126 -6.789 10.132 1.00 51.14 C ATOM 303 CD1 ILE A 19 -0.862 -7.961 7.364 1.00 34.40 C ATOM 0 H ILE A 19 -0.553 -4.031 7.355 1.00 10.53 H new ATOM 0 HA ILE A 19 -2.770 -5.675 8.059 1.00 31.13 H new ATOM 0 HB ILE A 19 -0.041 -5.185 9.228 1.00 73.24 H new ATOM 0 HG12 ILE A 19 0.026 -6.075 6.943 1.00 24.10 H new ATOM 0 HG13 ILE A 19 0.878 -7.021 8.147 1.00 24.10 H new ATOM 0 HG21 ILE A 19 -0.253 -7.382 10.404 1.00 51.14 H new ATOM 0 HG22 ILE A 19 -1.410 -6.155 10.972 1.00 51.14 H new ATOM 0 HG23 ILE A 19 -1.953 -7.454 9.883 1.00 51.14 H new ATOM 0 HD11 ILE A 19 -0.302 -8.462 6.574 1.00 34.40 H new ATOM 0 HD12 ILE A 19 -0.980 -8.638 8.210 1.00 34.40 H new ATOM 0 HD13 ILE A 19 -1.845 -7.677 6.987 1.00 34.40 H new ATOM 315 N ASP A 20 -1.866 -3.192 10.080 1.00 32.34 N ATOM 316 CA ASP A 20 -2.340 -2.309 11.149 1.00 5.13 C ATOM 317 C ASP A 20 -3.678 -1.713 10.729 1.00 70.24 C ATOM 318 O ASP A 20 -4.653 -1.795 11.466 1.00 10.21 O ATOM 319 CB ASP A 20 -1.321 -1.195 11.445 1.00 30.44 C ATOM 320 CG ASP A 20 -1.478 -0.593 12.845 1.00 3.11 C ATOM 321 OD1 ASP A 20 -2.613 -0.297 13.284 1.00 32.12 O ATOM 322 OD2 ASP A 20 -0.435 -0.437 13.521 1.00 43.14 O ATOM 0 H ASP A 20 -0.983 -2.898 9.662 1.00 32.34 H new ATOM 0 HA ASP A 20 -2.461 -2.887 12.065 1.00 5.13 H new ATOM 0 HB2 ASP A 20 -0.313 -1.596 11.339 1.00 30.44 H new ATOM 0 HB3 ASP A 20 -1.429 -0.405 10.702 1.00 30.44 H new ATOM 327 N SER A 21 -3.733 -1.167 9.512 1.00 5.40 N ATOM 328 CA SER A 21 -4.964 -0.716 8.890 1.00 13.33 C ATOM 329 C SER A 21 -5.891 -1.903 8.577 1.00 4.22 C ATOM 330 O SER A 21 -5.527 -3.069 8.701 1.00 63.24 O ATOM 331 CB SER A 21 -4.596 0.052 7.618 1.00 5.42 C ATOM 332 OG SER A 21 -5.608 0.952 7.204 1.00 1.50 O ATOM 0 H SER A 21 -2.908 -1.027 8.929 1.00 5.40 H new ATOM 0 HA SER A 21 -5.510 -0.063 9.571 1.00 13.33 H new ATOM 0 HB2 SER A 21 -3.673 0.605 7.788 1.00 5.42 H new ATOM 0 HB3 SER A 21 -4.398 -0.658 6.815 1.00 5.42 H new ATOM 0 HG SER A 21 -5.199 1.714 6.743 1.00 1.50 H new ATOM 338 N ASN A 22 -7.092 -1.599 8.090 1.00 50.13 N ATOM 339 CA ASN A 22 -8.133 -2.581 7.797 1.00 31.04 C ATOM 340 C ASN A 22 -8.289 -2.825 6.288 1.00 22.44 C ATOM 341 O ASN A 22 -9.386 -3.068 5.780 1.00 4.34 O ATOM 342 CB ASN A 22 -9.421 -2.083 8.454 1.00 12.41 C ATOM 343 CG ASN A 22 -10.473 -3.167 8.586 1.00 52.42 C ATOM 344 OD1 ASN A 22 -10.173 -4.357 8.622 1.00 42.34 O ATOM 345 ND2 ASN A 22 -11.722 -2.769 8.740 1.00 21.32 N ATOM 0 H ASN A 22 -7.375 -0.641 7.883 1.00 50.13 H new ATOM 0 HA ASN A 22 -7.865 -3.555 8.206 1.00 31.04 H new ATOM 0 HB2 ASN A 22 -9.189 -1.687 9.442 1.00 12.41 H new ATOM 0 HB3 ASN A 22 -9.827 -1.259 7.867 1.00 12.41 H new ATOM 0 HD21 ASN A 22 -12.461 -3.455 8.893 1.00 21.32 H new ATOM 0 HD22 ASN A 22 -11.948 -1.775 8.706 1.00 21.32 H new ATOM 352 N ILE A 23 -7.205 -2.648 5.528 1.00 45.11 N ATOM 353 CA ILE A 23 -7.245 -2.592 4.064 1.00 52.02 C ATOM 354 C ILE A 23 -7.019 -3.982 3.457 1.00 43.03 C ATOM 355 O ILE A 23 -7.488 -4.247 2.349 1.00 62.12 O ATOM 356 CB ILE A 23 -6.212 -1.556 3.559 1.00 22.44 C ATOM 357 CG1 ILE A 23 -6.533 -0.140 4.091 1.00 34.32 C ATOM 358 CG2 ILE A 23 -6.156 -1.478 2.019 1.00 30.52 C ATOM 359 CD1 ILE A 23 -5.297 0.759 4.114 1.00 25.22 C ATOM 0 H ILE A 23 -6.267 -2.539 5.914 1.00 45.11 H new ATOM 0 HA ILE A 23 -8.234 -2.269 3.739 1.00 52.02 H new ATOM 0 HB ILE A 23 -5.248 -1.897 3.936 1.00 22.44 H new ATOM 0 HG12 ILE A 23 -7.301 0.316 3.466 1.00 34.32 H new ATOM 0 HG13 ILE A 23 -6.944 -0.216 5.098 1.00 34.32 H new ATOM 0 HG21 ILE A 23 -5.416 -0.736 1.719 1.00 30.52 H new ATOM 0 HG22 ILE A 23 -5.879 -2.452 1.615 1.00 30.52 H new ATOM 0 HG23 ILE A 23 -7.134 -1.191 1.633 1.00 30.52 H new ATOM 0 HD11 ILE A 23 -5.570 1.743 4.495 1.00 25.22 H new ATOM 0 HD12 ILE A 23 -4.538 0.318 4.760 1.00 25.22 H new ATOM 0 HD13 ILE A 23 -4.900 0.858 3.104 1.00 25.22 H new ATOM 371 N ILE A 24 -6.314 -4.877 4.145 1.00 22.52 N ATOM 372 CA ILE A 24 -5.991 -6.212 3.658 1.00 71.24 C ATOM 373 C ILE A 24 -6.176 -7.192 4.820 1.00 71.15 C ATOM 374 O ILE A 24 -6.030 -6.815 5.984 1.00 13.54 O ATOM 375 CB ILE A 24 -4.571 -6.235 3.034 1.00 4.04 C ATOM 376 CG1 ILE A 24 -3.464 -5.848 4.033 1.00 62.54 C ATOM 377 CG2 ILE A 24 -4.445 -5.292 1.816 1.00 33.22 C ATOM 378 CD1 ILE A 24 -2.887 -7.005 4.836 1.00 52.01 C ATOM 0 H ILE A 24 -5.944 -4.688 5.077 1.00 22.52 H new ATOM 0 HA ILE A 24 -6.659 -6.517 2.852 1.00 71.24 H new ATOM 0 HB ILE A 24 -4.435 -7.271 2.723 1.00 4.04 H new ATOM 0 HG12 ILE A 24 -2.654 -5.366 3.485 1.00 62.54 H new ATOM 0 HG13 ILE A 24 -3.864 -5.108 4.727 1.00 62.54 H new ATOM 0 HG21 ILE A 24 -3.432 -5.346 1.417 1.00 33.22 H new ATOM 0 HG22 ILE A 24 -5.155 -5.595 1.046 1.00 33.22 H new ATOM 0 HG23 ILE A 24 -4.659 -4.269 2.124 1.00 33.22 H new ATOM 0 HD11 ILE A 24 -2.116 -6.631 5.510 1.00 52.01 H new ATOM 0 HD12 ILE A 24 -3.680 -7.476 5.417 1.00 52.01 H new ATOM 0 HD13 ILE A 24 -2.451 -7.738 4.157 1.00 52.01 H new ATOM 390 N SER A 25 -6.468 -8.450 4.506 1.00 73.14 N ATOM 391 CA SER A 25 -6.518 -9.531 5.480 1.00 43.33 C ATOM 392 C SER A 25 -5.094 -9.952 5.846 1.00 25.00 C ATOM 393 O SER A 25 -4.790 -10.139 7.020 1.00 73.01 O ATOM 394 CB SER A 25 -7.287 -10.724 4.897 1.00 65.12 C ATOM 395 OG SER A 25 -8.510 -10.303 4.319 1.00 73.25 O ATOM 0 H SER A 25 -6.679 -8.750 3.554 1.00 73.14 H new ATOM 0 HA SER A 25 -7.033 -9.187 6.377 1.00 43.33 H new ATOM 0 HB2 SER A 25 -6.677 -11.222 4.144 1.00 65.12 H new ATOM 0 HB3 SER A 25 -7.483 -11.454 5.682 1.00 65.12 H new ATOM 0 HG SER A 25 -9.015 -9.774 4.971 1.00 73.25 H new ATOM 401 N GLY A 26 -4.200 -10.048 4.857 1.00 2.24 N ATOM 402 CA GLY A 26 -2.896 -10.673 5.031 1.00 43.34 C ATOM 403 C GLY A 26 -2.972 -12.174 4.764 1.00 74.53 C ATOM 404 O GLY A 26 -2.222 -12.940 5.373 1.00 44.25 O ATOM 0 H GLY A 26 -4.365 -9.693 3.915 1.00 2.24 H new ATOM 0 HA2 GLY A 26 -2.175 -10.215 4.354 1.00 43.34 H new ATOM 0 HA3 GLY A 26 -2.536 -10.498 6.045 1.00 43.34 H new ATOM 408 N ASN A 27 -3.868 -12.594 3.863 1.00 25.42 N ATOM 409 CA ASN A 27 -4.014 -13.988 3.449 1.00 54.33 C ATOM 410 C ASN A 27 -3.199 -14.238 2.182 1.00 13.13 C ATOM 411 O ASN A 27 -2.637 -13.332 1.565 1.00 30.22 O ATOM 412 CB ASN A 27 -5.495 -14.339 3.193 1.00 51.22 C ATOM 413 CG ASN A 27 -6.373 -14.316 4.437 1.00 3.31 C ATOM 414 OD1 ASN A 27 -5.913 -14.087 5.554 1.00 70.44 O ATOM 415 ND2 ASN A 27 -7.660 -14.547 4.281 1.00 4.33 N ATOM 0 H ASN A 27 -4.520 -11.963 3.396 1.00 25.42 H new ATOM 0 HA ASN A 27 -3.646 -14.624 4.254 1.00 54.33 H new ATOM 0 HB2 ASN A 27 -5.901 -13.638 2.464 1.00 51.22 H new ATOM 0 HB3 ASN A 27 -5.548 -15.331 2.744 1.00 51.22 H new ATOM 0 HD21 ASN A 27 -8.282 -14.537 5.090 1.00 4.33 H new ATOM 0 HD22 ASN A 27 -8.035 -14.736 3.352 1.00 4.33 H new ATOM 422 N GLU A 28 -3.186 -15.492 1.754 1.00 3.35 N ATOM 423 CA GLU A 28 -2.619 -16.006 0.511 1.00 10.35 C ATOM 424 C GLU A 28 -3.465 -15.618 -0.712 1.00 13.33 C ATOM 425 O GLU A 28 -3.267 -16.168 -1.795 1.00 11.43 O ATOM 426 CB GLU A 28 -2.433 -17.535 0.609 1.00 64.51 C ATOM 427 CG GLU A 28 -3.697 -18.323 0.998 1.00 71.54 C ATOM 428 CD GLU A 28 -3.807 -18.466 2.518 1.00 42.41 C ATOM 429 OE1 GLU A 28 -3.239 -19.432 3.084 1.00 21.31 O ATOM 430 OE2 GLU A 28 -4.407 -17.573 3.153 1.00 51.22 O ATOM 0 H GLU A 28 -3.605 -16.238 2.310 1.00 3.35 H new ATOM 0 HA GLU A 28 -1.642 -15.545 0.369 1.00 10.35 H new ATOM 0 HB2 GLU A 28 -2.075 -17.904 -0.352 1.00 64.51 H new ATOM 0 HB3 GLU A 28 -1.653 -17.744 1.341 1.00 64.51 H new ATOM 0 HG2 GLU A 28 -4.580 -17.814 0.612 1.00 71.54 H new ATOM 0 HG3 GLU A 28 -3.671 -19.310 0.537 1.00 71.54 H new ATOM 437 N ASN A 29 -4.438 -14.714 -0.572 1.00 1.23 N ATOM 438 CA ASN A 29 -5.376 -14.339 -1.612 1.00 3.44 C ATOM 439 C ASN A 29 -5.326 -12.842 -1.941 1.00 4.23 C ATOM 440 O ASN A 29 -6.210 -12.341 -2.631 1.00 31.54 O ATOM 441 CB ASN A 29 -6.763 -14.902 -1.261 1.00 45.13 C ATOM 442 CG ASN A 29 -7.641 -14.040 -0.360 1.00 54.33 C ATOM 443 OD1 ASN A 29 -7.201 -13.098 0.282 1.00 63.34 O ATOM 444 ND2 ASN A 29 -8.918 -14.366 -0.268 1.00 64.44 N ATOM 0 H ASN A 29 -4.593 -14.211 0.302 1.00 1.23 H new ATOM 0 HA ASN A 29 -5.088 -14.794 -2.559 1.00 3.44 H new ATOM 0 HB2 ASN A 29 -7.303 -15.083 -2.191 1.00 45.13 H new ATOM 0 HB3 ASN A 29 -6.626 -15.870 -0.778 1.00 45.13 H new ATOM 0 HD21 ASN A 29 -9.538 -13.831 0.340 1.00 64.44 H new ATOM 0 HD22 ASN A 29 -9.283 -15.153 -0.805 1.00 64.44 H new ATOM 451 N GLU A 30 -4.270 -12.138 -1.519 1.00 61.54 N ATOM 452 CA GLU A 30 -4.014 -10.734 -1.837 1.00 32.50 C ATOM 453 C GLU A 30 -2.541 -10.621 -2.224 1.00 63.32 C ATOM 454 O GLU A 30 -1.713 -11.253 -1.563 1.00 2.00 O ATOM 455 CB GLU A 30 -4.310 -9.843 -0.615 1.00 25.42 C ATOM 456 CG GLU A 30 -5.689 -10.102 0.007 1.00 11.11 C ATOM 457 CD GLU A 30 -5.933 -9.274 1.261 1.00 42.23 C ATOM 458 OE1 GLU A 30 -5.281 -9.553 2.292 1.00 10.04 O ATOM 459 OE2 GLU A 30 -6.818 -8.384 1.246 1.00 3.21 O ATOM 0 H GLU A 30 -3.547 -12.546 -0.927 1.00 61.54 H new ATOM 0 HA GLU A 30 -4.657 -10.402 -2.652 1.00 32.50 H new ATOM 0 HB2 GLU A 30 -3.542 -10.008 0.141 1.00 25.42 H new ATOM 0 HB3 GLU A 30 -4.245 -8.797 -0.913 1.00 25.42 H new ATOM 0 HG2 GLU A 30 -6.462 -9.878 -0.728 1.00 11.11 H new ATOM 0 HG3 GLU A 30 -5.780 -11.160 0.252 1.00 11.11 H new ATOM 466 N GLU A 31 -2.215 -9.827 -3.249 1.00 21.40 N ATOM 467 CA GLU A 31 -0.860 -9.567 -3.736 1.00 42.23 C ATOM 468 C GLU A 31 -0.691 -8.049 -3.838 1.00 21.13 C ATOM 469 O GLU A 31 -1.666 -7.337 -4.103 1.00 54.15 O ATOM 470 CB GLU A 31 -0.643 -10.223 -5.108 1.00 72.34 C ATOM 471 CG GLU A 31 0.778 -10.126 -5.688 1.00 11.22 C ATOM 472 CD GLU A 31 0.835 -9.203 -6.911 1.00 73.55 C ATOM 473 OE1 GLU A 31 1.060 -7.978 -6.760 1.00 64.11 O ATOM 474 OE2 GLU A 31 0.656 -9.732 -8.032 1.00 74.21 O ATOM 0 H GLU A 31 -2.923 -9.326 -3.785 1.00 21.40 H new ATOM 0 HA GLU A 31 -0.124 -9.989 -3.052 1.00 42.23 H new ATOM 0 HB2 GLU A 31 -0.911 -11.277 -5.030 1.00 72.34 H new ATOM 0 HB3 GLU A 31 -1.335 -9.770 -5.818 1.00 72.34 H new ATOM 0 HG2 GLU A 31 1.458 -9.755 -4.921 1.00 11.22 H new ATOM 0 HG3 GLU A 31 1.125 -11.121 -5.968 1.00 11.22 H new ATOM 481 N ILE A 32 0.527 -7.546 -3.627 1.00 70.33 N ATOM 482 CA ILE A 32 0.848 -6.131 -3.747 1.00 5.22 C ATOM 483 C ILE A 32 2.169 -6.018 -4.487 1.00 53.25 C ATOM 484 O ILE A 32 3.187 -6.508 -3.998 1.00 33.21 O ATOM 485 CB ILE A 32 0.909 -5.436 -2.365 1.00 62.15 C ATOM 486 CG1 ILE A 32 -0.403 -5.617 -1.583 1.00 21.51 C ATOM 487 CG2 ILE A 32 1.153 -3.932 -2.556 1.00 14.11 C ATOM 488 CD1 ILE A 32 -0.387 -6.792 -0.614 1.00 1.04 C ATOM 0 H ILE A 32 1.326 -8.122 -3.364 1.00 70.33 H new ATOM 0 HA ILE A 32 0.062 -5.620 -4.303 1.00 5.22 H new ATOM 0 HB ILE A 32 1.722 -5.894 -1.801 1.00 62.15 H new ATOM 0 HG12 ILE A 32 -0.612 -4.703 -1.027 1.00 21.51 H new ATOM 0 HG13 ILE A 32 -1.221 -5.754 -2.291 1.00 21.51 H new ATOM 0 HG21 ILE A 32 1.196 -3.444 -1.582 1.00 14.11 H new ATOM 0 HG22 ILE A 32 2.097 -3.780 -3.080 1.00 14.11 H new ATOM 0 HG23 ILE A 32 0.340 -3.503 -3.142 1.00 14.11 H new ATOM 0 HD11 ILE A 32 -1.347 -6.854 -0.101 1.00 1.04 H new ATOM 0 HD12 ILE A 32 -0.210 -7.716 -1.165 1.00 1.04 H new ATOM 0 HD13 ILE A 32 0.407 -6.649 0.118 1.00 1.04 H new ATOM 500 N THR A 33 2.145 -5.332 -5.623 1.00 65.25 N ATOM 501 CA THR A 33 3.292 -4.962 -6.429 1.00 4.40 C ATOM 502 C THR A 33 3.709 -3.535 -6.034 1.00 63.33 C ATOM 503 O THR A 33 3.117 -2.565 -6.517 1.00 10.03 O ATOM 504 CB THR A 33 2.905 -5.069 -7.911 1.00 74.32 C ATOM 505 OG1 THR A 33 2.472 -6.360 -8.300 1.00 63.45 O ATOM 506 CG2 THR A 33 4.087 -4.731 -8.822 1.00 2.02 C ATOM 0 H THR A 33 1.269 -5.001 -6.027 1.00 65.25 H new ATOM 0 HA THR A 33 4.141 -5.625 -6.261 1.00 4.40 H new ATOM 0 HB THR A 33 2.084 -4.360 -8.020 1.00 74.32 H new ATOM 0 HG1 THR A 33 1.791 -6.680 -7.672 1.00 63.45 H new ATOM 0 HG21 THR A 33 3.779 -4.816 -9.864 1.00 2.02 H new ATOM 0 HG22 THR A 33 4.419 -3.712 -8.624 1.00 2.02 H new ATOM 0 HG23 THR A 33 4.906 -5.424 -8.628 1.00 2.02 H new ATOM 514 N VAL A 34 4.710 -3.371 -5.164 1.00 13.03 N ATOM 515 CA VAL A 34 5.178 -2.050 -4.742 1.00 42.35 C ATOM 516 C VAL A 34 6.316 -1.672 -5.673 1.00 61.32 C ATOM 517 O VAL A 34 7.302 -2.406 -5.731 1.00 21.33 O ATOM 518 CB VAL A 34 5.640 -2.061 -3.267 1.00 14.11 C ATOM 519 CG1 VAL A 34 6.137 -0.678 -2.807 1.00 21.23 C ATOM 520 CG2 VAL A 34 4.533 -2.510 -2.305 1.00 31.51 C ATOM 0 H VAL A 34 5.215 -4.146 -4.735 1.00 13.03 H new ATOM 0 HA VAL A 34 4.372 -1.319 -4.800 1.00 42.35 H new ATOM 0 HB VAL A 34 6.459 -2.780 -3.234 1.00 14.11 H new ATOM 0 HG11 VAL A 34 6.452 -0.733 -1.765 1.00 21.23 H new ATOM 0 HG12 VAL A 34 6.981 -0.370 -3.425 1.00 21.23 H new ATOM 0 HG13 VAL A 34 5.331 0.049 -2.905 1.00 21.23 H new ATOM 0 HG21 VAL A 34 4.912 -2.499 -1.283 1.00 31.51 H new ATOM 0 HG22 VAL A 34 3.684 -1.831 -2.384 1.00 31.51 H new ATOM 0 HG23 VAL A 34 4.214 -3.520 -2.563 1.00 31.51 H new ATOM 530 N THR A 35 6.222 -0.542 -6.368 1.00 45.22 N ATOM 531 CA THR A 35 7.339 -0.009 -7.121 1.00 24.23 C ATOM 532 C THR A 35 8.027 1.088 -6.300 1.00 62.45 C ATOM 533 O THR A 35 7.387 1.961 -5.718 1.00 32.24 O ATOM 534 CB THR A 35 6.865 0.415 -8.517 1.00 50.33 C ATOM 535 OG1 THR A 35 6.268 -0.681 -9.187 1.00 4.22 O ATOM 536 CG2 THR A 35 8.070 0.806 -9.373 1.00 5.34 C ATOM 0 H THR A 35 5.374 0.022 -6.421 1.00 45.22 H new ATOM 0 HA THR A 35 8.104 -0.765 -7.297 1.00 24.23 H new ATOM 0 HB THR A 35 6.164 1.240 -8.389 1.00 50.33 H new ATOM 0 HG1 THR A 35 5.968 -0.397 -10.076 1.00 4.22 H new ATOM 0 HG21 THR A 35 7.730 1.107 -10.364 1.00 5.34 H new ATOM 0 HG22 THR A 35 8.596 1.636 -8.902 1.00 5.34 H new ATOM 0 HG23 THR A 35 8.744 -0.046 -9.464 1.00 5.34 H new ATOM 544 N TYR A 36 9.358 1.052 -6.240 1.00 71.14 N ATOM 545 CA TYR A 36 10.168 2.077 -5.585 1.00 14.44 C ATOM 546 C TYR A 36 11.374 2.431 -6.448 1.00 14.21 C ATOM 547 O TYR A 36 11.594 1.786 -7.475 1.00 62.33 O ATOM 548 CB TYR A 36 10.571 1.612 -4.181 1.00 52.34 C ATOM 549 CG TYR A 36 11.652 0.549 -4.111 1.00 34.51 C ATOM 550 CD1 TYR A 36 11.365 -0.785 -4.458 1.00 2.12 C ATOM 551 CD2 TYR A 36 12.924 0.883 -3.611 1.00 24.12 C ATOM 552 CE1 TYR A 36 12.330 -1.788 -4.274 1.00 24.30 C ATOM 553 CE2 TYR A 36 13.872 -0.126 -3.364 1.00 4.24 C ATOM 554 CZ TYR A 36 13.580 -1.468 -3.696 1.00 33.31 C ATOM 555 OH TYR A 36 14.485 -2.452 -3.438 1.00 22.40 O ATOM 0 H TYR A 36 9.911 0.300 -6.651 1.00 71.14 H new ATOM 0 HA TYR A 36 9.579 2.987 -5.469 1.00 14.44 H new ATOM 0 HB2 TYR A 36 10.908 2.481 -3.616 1.00 52.34 H new ATOM 0 HB3 TYR A 36 9.682 1.230 -3.678 1.00 52.34 H new ATOM 0 HD1 TYR A 36 10.398 -1.038 -4.868 1.00 2.12 H new ATOM 0 HD2 TYR A 36 13.173 1.916 -3.417 1.00 24.12 H new ATOM 0 HE1 TYR A 36 12.118 -2.804 -4.574 1.00 24.30 H new ATOM 0 HE2 TYR A 36 14.824 0.125 -2.920 1.00 4.24 H new ATOM 0 HH TYR A 36 14.172 -3.295 -3.827 1.00 22.40 H new ATOM 565 N VAL A 37 12.143 3.457 -6.063 1.00 70.44 N ATOM 566 CA VAL A 37 13.357 3.846 -6.768 1.00 72.55 C ATOM 567 C VAL A 37 14.469 4.195 -5.773 1.00 21.52 C ATOM 568 O VAL A 37 14.219 4.561 -4.621 1.00 10.14 O ATOM 569 CB VAL A 37 12.998 4.891 -7.836 1.00 11.00 C ATOM 570 CG1 VAL A 37 12.259 6.113 -7.314 1.00 45.25 C ATOM 571 CG2 VAL A 37 14.178 5.385 -8.682 1.00 1.31 C ATOM 0 H VAL A 37 11.935 4.038 -5.251 1.00 70.44 H new ATOM 0 HA VAL A 37 13.796 3.022 -7.331 1.00 72.55 H new ATOM 0 HB VAL A 37 12.326 4.311 -8.469 1.00 11.00 H new ATOM 0 HG11 VAL A 37 12.050 6.792 -8.140 1.00 45.25 H new ATOM 0 HG12 VAL A 37 11.321 5.802 -6.853 1.00 45.25 H new ATOM 0 HG13 VAL A 37 12.876 6.622 -6.573 1.00 45.25 H new ATOM 0 HG21 VAL A 37 13.824 6.119 -9.406 1.00 1.31 H new ATOM 0 HG22 VAL A 37 14.923 5.845 -8.033 1.00 1.31 H new ATOM 0 HG23 VAL A 37 14.626 4.542 -9.208 1.00 1.31 H new ATOM 581 N ASN A 38 15.716 3.994 -6.190 1.00 22.22 N ATOM 582 CA ASN A 38 16.896 4.258 -5.370 1.00 45.03 C ATOM 583 C ASN A 38 17.444 5.658 -5.636 1.00 13.42 C ATOM 584 O ASN A 38 16.768 6.481 -6.252 1.00 61.53 O ATOM 585 CB ASN A 38 17.949 3.142 -5.508 1.00 42.45 C ATOM 586 CG ASN A 38 18.218 2.552 -6.875 1.00 5.12 C ATOM 587 OD1 ASN A 38 18.213 3.229 -7.895 1.00 30.12 O ATOM 588 ND2 ASN A 38 18.570 1.283 -6.889 1.00 50.14 N ATOM 0 H ASN A 38 15.939 3.638 -7.120 1.00 22.22 H new ATOM 0 HA ASN A 38 16.598 4.243 -4.322 1.00 45.03 H new ATOM 0 HB2 ASN A 38 18.893 3.531 -5.126 1.00 42.45 H new ATOM 0 HB3 ASN A 38 17.651 2.326 -4.850 1.00 42.45 H new ATOM 0 HD21 ASN A 38 18.848 0.840 -7.765 1.00 50.14 H new ATOM 0 HD22 ASN A 38 18.565 0.743 -6.024 1.00 50.14 H new ATOM 595 N LYS A 39 18.644 5.947 -5.112 1.00 52.23 N ATOM 596 CA LYS A 39 19.384 7.170 -5.416 1.00 2.40 C ATOM 597 C LYS A 39 19.488 7.350 -6.930 1.00 63.51 C ATOM 598 O LYS A 39 19.375 8.456 -7.455 1.00 42.04 O ATOM 599 CB LYS A 39 20.825 7.103 -4.871 1.00 51.43 C ATOM 600 CG LYS A 39 20.983 7.166 -3.348 1.00 23.10 C ATOM 601 CD LYS A 39 22.443 7.429 -2.949 1.00 24.21 C ATOM 602 CE LYS A 39 22.787 8.917 -3.119 1.00 72.12 C ATOM 603 NZ LYS A 39 24.189 9.228 -2.786 1.00 11.24 N ATOM 0 H LYS A 39 19.128 5.330 -4.460 1.00 52.23 H new ATOM 0 HA LYS A 39 18.846 7.996 -4.951 1.00 2.40 H new ATOM 0 HB2 LYS A 39 21.280 6.178 -5.223 1.00 51.43 H new ATOM 0 HB3 LYS A 39 21.393 7.924 -5.307 1.00 51.43 H new ATOM 0 HG2 LYS A 39 20.346 7.954 -2.946 1.00 23.10 H new ATOM 0 HG3 LYS A 39 20.646 6.228 -2.906 1.00 23.10 H new ATOM 0 HD2 LYS A 39 22.603 7.129 -1.914 1.00 24.21 H new ATOM 0 HD3 LYS A 39 23.109 6.823 -3.563 1.00 24.21 H new ATOM 0 HE2 LYS A 39 22.590 9.214 -4.149 1.00 72.12 H new ATOM 0 HE3 LYS A 39 22.129 9.511 -2.485 1.00 72.12 H new ATOM 0 HZ1 LYS A 39 24.360 10.245 -2.920 1.00 11.24 H new ATOM 0 HZ2 LYS A 39 24.375 8.973 -1.795 1.00 11.24 H new ATOM 0 HZ3 LYS A 39 24.822 8.686 -3.408 1.00 11.24 H new ATOM 617 N THR A 40 19.849 6.269 -7.618 1.00 2.34 N ATOM 618 CA THR A 40 19.964 6.203 -9.060 1.00 64.23 C ATOM 619 C THR A 40 18.563 6.148 -9.682 1.00 44.34 C ATOM 620 O THR A 40 17.572 5.853 -9.019 1.00 1.42 O ATOM 621 CB THR A 40 20.837 4.982 -9.423 1.00 12.14 C ATOM 622 OG1 THR A 40 20.714 3.924 -8.482 1.00 22.41 O ATOM 623 CG2 THR A 40 22.321 5.360 -9.442 1.00 21.21 C ATOM 0 H THR A 40 20.077 5.385 -7.162 1.00 2.34 H new ATOM 0 HA THR A 40 20.450 7.091 -9.464 1.00 64.23 H new ATOM 0 HB THR A 40 20.486 4.658 -10.403 1.00 12.14 H new ATOM 0 HG1 THR A 40 19.841 3.491 -8.589 1.00 22.41 H new ATOM 0 HG21 THR A 40 22.916 4.484 -9.700 1.00 21.21 H new ATOM 0 HG22 THR A 40 22.488 6.143 -10.182 1.00 21.21 H new ATOM 0 HG23 THR A 40 22.617 5.722 -8.457 1.00 21.21 H new ATOM 631 N GLY A 41 18.459 6.383 -10.988 1.00 11.00 N ATOM 632 CA GLY A 41 17.179 6.454 -11.677 1.00 63.23 C ATOM 633 C GLY A 41 16.557 5.090 -11.970 1.00 52.35 C ATOM 634 O GLY A 41 15.894 4.975 -13.004 1.00 3.02 O ATOM 0 H GLY A 41 19.264 6.530 -11.597 1.00 11.00 H new ATOM 0 HA2 GLY A 41 16.484 7.037 -11.073 1.00 63.23 H new ATOM 0 HA3 GLY A 41 17.312 6.991 -12.616 1.00 63.23 H new ATOM 638 N TYR A 42 16.789 4.058 -11.152 1.00 21.20 N ATOM 639 CA TYR A 42 16.363 2.689 -11.428 1.00 61.42 C ATOM 640 C TYR A 42 15.141 2.346 -10.593 1.00 42.21 C ATOM 641 O TYR A 42 15.228 2.176 -9.374 1.00 51.04 O ATOM 642 CB TYR A 42 17.485 1.681 -11.183 1.00 41.04 C ATOM 643 CG TYR A 42 18.796 2.017 -11.869 1.00 65.44 C ATOM 644 CD1 TYR A 42 18.817 2.395 -13.226 1.00 73.22 C ATOM 645 CD2 TYR A 42 19.994 2.002 -11.134 1.00 24.41 C ATOM 646 CE1 TYR A 42 20.010 2.833 -13.824 1.00 71.12 C ATOM 647 CE2 TYR A 42 21.195 2.423 -11.729 1.00 31.24 C ATOM 648 CZ TYR A 42 21.200 2.874 -13.068 1.00 63.23 C ATOM 649 OH TYR A 42 22.344 3.366 -13.620 1.00 21.34 O ATOM 0 H TYR A 42 17.286 4.156 -10.267 1.00 21.20 H new ATOM 0 HA TYR A 42 16.102 2.628 -12.485 1.00 61.42 H new ATOM 0 HB2 TYR A 42 17.660 1.606 -10.110 1.00 41.04 H new ATOM 0 HB3 TYR A 42 17.154 0.699 -11.521 1.00 41.04 H new ATOM 0 HD1 TYR A 42 17.910 2.348 -13.810 1.00 73.22 H new ATOM 0 HD2 TYR A 42 19.991 1.665 -10.108 1.00 24.41 H new ATOM 0 HE1 TYR A 42 20.016 3.138 -14.860 1.00 71.12 H new ATOM 0 HE2 TYR A 42 22.114 2.402 -11.163 1.00 31.24 H new ATOM 0 HH TYR A 42 23.069 3.323 -12.962 1.00 21.34 H new ATOM 659 N SER A 43 13.984 2.265 -11.235 1.00 3.14 N ATOM 660 CA SER A 43 12.787 1.751 -10.594 1.00 30.30 C ATOM 661 C SER A 43 12.937 0.248 -10.338 1.00 24.10 C ATOM 662 O SER A 43 13.782 -0.410 -10.950 1.00 30.51 O ATOM 663 CB SER A 43 11.556 2.075 -11.454 1.00 22.11 C ATOM 664 OG SER A 43 11.791 2.006 -12.855 1.00 21.20 O ATOM 0 H SER A 43 13.851 2.551 -12.205 1.00 3.14 H new ATOM 0 HA SER A 43 12.647 2.233 -9.627 1.00 30.30 H new ATOM 0 HB2 SER A 43 10.754 1.383 -11.197 1.00 22.11 H new ATOM 0 HB3 SER A 43 11.205 3.076 -11.204 1.00 22.11 H new ATOM 0 HG SER A 43 10.965 2.222 -13.336 1.00 21.20 H new ATOM 670 N SER A 44 12.104 -0.304 -9.460 1.00 3.13 N ATOM 671 CA SER A 44 12.058 -1.726 -9.150 1.00 14.13 C ATOM 672 C SER A 44 10.688 -2.037 -8.552 1.00 73.54 C ATOM 673 O SER A 44 10.366 -1.491 -7.491 1.00 52.13 O ATOM 674 CB SER A 44 13.188 -2.062 -8.163 1.00 31.53 C ATOM 675 OG SER A 44 13.316 -1.056 -7.163 1.00 72.31 O ATOM 0 H SER A 44 11.424 0.243 -8.931 1.00 3.13 H new ATOM 0 HA SER A 44 12.201 -2.331 -10.045 1.00 14.13 H new ATOM 0 HB2 SER A 44 12.988 -3.024 -7.691 1.00 31.53 H new ATOM 0 HB3 SER A 44 14.129 -2.162 -8.704 1.00 31.53 H new ATOM 0 HG SER A 44 12.904 -1.368 -6.330 1.00 72.31 H new ATOM 681 N SER A 45 9.881 -2.868 -9.219 1.00 2.34 N ATOM 682 CA SER A 45 8.670 -3.430 -8.634 1.00 1.10 C ATOM 683 C SER A 45 9.022 -4.679 -7.823 1.00 25.24 C ATOM 684 O SER A 45 9.952 -5.411 -8.177 1.00 72.45 O ATOM 685 CB SER A 45 7.646 -3.729 -9.734 1.00 73.35 C ATOM 686 OG SER A 45 8.146 -4.503 -10.813 1.00 23.54 O ATOM 0 H SER A 45 10.053 -3.167 -10.179 1.00 2.34 H new ATOM 0 HA SER A 45 8.217 -2.708 -7.954 1.00 1.10 H new ATOM 0 HB2 SER A 45 6.799 -4.252 -9.291 1.00 73.35 H new ATOM 0 HB3 SER A 45 7.268 -2.785 -10.126 1.00 73.35 H new ATOM 0 HG SER A 45 7.432 -4.650 -11.468 1.00 23.54 H new ATOM 692 N VAL A 46 8.254 -4.942 -6.768 1.00 62.51 N ATOM 693 CA VAL A 46 8.326 -6.153 -5.961 1.00 4.22 C ATOM 694 C VAL A 46 6.900 -6.585 -5.630 1.00 21.43 C ATOM 695 O VAL A 46 6.147 -5.792 -5.069 1.00 74.42 O ATOM 696 CB VAL A 46 9.218 -5.901 -4.728 1.00 34.10 C ATOM 697 CG1 VAL A 46 8.945 -4.618 -3.937 1.00 12.23 C ATOM 698 CG2 VAL A 46 9.241 -7.103 -3.775 1.00 72.23 C ATOM 0 H VAL A 46 7.539 -4.292 -6.442 1.00 62.51 H new ATOM 0 HA VAL A 46 8.796 -6.978 -6.497 1.00 4.22 H new ATOM 0 HB VAL A 46 10.201 -5.756 -5.176 1.00 34.10 H new ATOM 0 HG11 VAL A 46 9.636 -4.555 -3.096 1.00 12.23 H new ATOM 0 HG12 VAL A 46 9.084 -3.754 -4.586 1.00 12.23 H new ATOM 0 HG13 VAL A 46 7.921 -4.631 -3.565 1.00 12.23 H new ATOM 0 HG21 VAL A 46 9.882 -6.879 -2.922 1.00 72.23 H new ATOM 0 HG22 VAL A 46 8.230 -7.309 -3.425 1.00 72.23 H new ATOM 0 HG23 VAL A 46 9.628 -7.976 -4.300 1.00 72.23 H new ATOM 708 N SER A 47 6.526 -7.806 -6.014 1.00 11.03 N ATOM 709 CA SER A 47 5.163 -8.326 -6.030 1.00 42.23 C ATOM 710 C SER A 47 5.080 -9.596 -5.190 1.00 25.24 C ATOM 711 O SER A 47 5.765 -10.571 -5.510 1.00 42.11 O ATOM 712 CB SER A 47 4.767 -8.570 -7.493 1.00 63.25 C ATOM 713 OG SER A 47 5.845 -9.119 -8.243 1.00 10.03 O ATOM 0 H SER A 47 7.205 -8.494 -6.339 1.00 11.03 H new ATOM 0 HA SER A 47 4.465 -7.613 -5.591 1.00 42.23 H new ATOM 0 HB2 SER A 47 3.914 -9.248 -7.532 1.00 63.25 H new ATOM 0 HB3 SER A 47 4.449 -7.631 -7.946 1.00 63.25 H new ATOM 0 HG SER A 47 6.262 -9.845 -7.733 1.00 10.03 H new ATOM 719 N ALA A 48 4.272 -9.613 -4.127 1.00 41.12 N ATOM 720 CA ALA A 48 4.271 -10.698 -3.145 1.00 41.12 C ATOM 721 C ALA A 48 2.920 -10.745 -2.440 1.00 3.43 C ATOM 722 O ALA A 48 2.161 -9.772 -2.513 1.00 45.33 O ATOM 723 CB ALA A 48 5.417 -10.501 -2.146 1.00 44.25 C ATOM 0 H ALA A 48 3.600 -8.874 -3.924 1.00 41.12 H new ATOM 0 HA ALA A 48 4.428 -11.652 -3.649 1.00 41.12 H new ATOM 0 HB1 ALA A 48 5.409 -11.313 -1.419 1.00 44.25 H new ATOM 0 HB2 ALA A 48 6.368 -10.500 -2.679 1.00 44.25 H new ATOM 0 HB3 ALA A 48 5.290 -9.550 -1.629 1.00 44.25 H new ATOM 729 N TYR A 49 2.615 -11.872 -1.795 1.00 12.23 N ATOM 730 CA TYR A 49 1.293 -12.163 -1.263 1.00 64.35 C ATOM 731 C TYR A 49 1.257 -11.956 0.247 1.00 14.10 C ATOM 732 O TYR A 49 2.287 -11.901 0.918 1.00 12.41 O ATOM 733 CB TYR A 49 0.847 -13.577 -1.668 1.00 61.55 C ATOM 734 CG TYR A 49 0.277 -13.682 -3.070 1.00 53.41 C ATOM 735 CD1 TYR A 49 1.119 -13.614 -4.195 1.00 54.23 C ATOM 736 CD2 TYR A 49 -1.106 -13.862 -3.247 1.00 52.24 C ATOM 737 CE1 TYR A 49 0.588 -13.757 -5.489 1.00 74.23 C ATOM 738 CE2 TYR A 49 -1.646 -14.023 -4.532 1.00 64.23 C ATOM 739 CZ TYR A 49 -0.796 -13.978 -5.659 1.00 34.21 C ATOM 740 OH TYR A 49 -1.330 -14.119 -6.903 1.00 73.45 O ATOM 0 H TYR A 49 3.293 -12.616 -1.628 1.00 12.23 H new ATOM 0 HA TYR A 49 0.579 -11.462 -1.696 1.00 64.35 H new ATOM 0 HB2 TYR A 49 1.700 -14.250 -1.585 1.00 61.55 H new ATOM 0 HB3 TYR A 49 0.097 -13.924 -0.958 1.00 61.55 H new ATOM 0 HD1 TYR A 49 2.179 -13.451 -4.064 1.00 54.23 H new ATOM 0 HD2 TYR A 49 -1.758 -13.876 -2.386 1.00 52.24 H new ATOM 0 HE1 TYR A 49 1.237 -13.698 -6.350 1.00 74.23 H new ATOM 0 HE2 TYR A 49 -2.707 -14.181 -4.659 1.00 64.23 H new ATOM 0 HH TYR A 49 -2.296 -14.265 -6.830 1.00 73.45 H new ATOM 750 N GLY A 50 0.050 -11.833 0.802 1.00 13.23 N ATOM 751 CA GLY A 50 -0.098 -11.318 2.157 1.00 72.55 C ATOM 752 C GLY A 50 0.028 -12.324 3.262 1.00 32.44 C ATOM 753 O GLY A 50 0.301 -11.888 4.386 1.00 25.52 O ATOM 0 H GLY A 50 -0.825 -12.080 0.339 1.00 13.23 H new ATOM 0 HA2 GLY A 50 0.651 -10.542 2.313 1.00 72.55 H new ATOM 0 HA3 GLY A 50 -1.074 -10.840 2.238 1.00 72.55 H new ATOM 757 N ASN A 51 -0.026 -13.618 2.960 1.00 3.42 N ATOM 758 CA ASN A 51 0.536 -14.599 3.872 1.00 1.43 C ATOM 759 C ASN A 51 2.065 -14.452 3.884 1.00 70.11 C ATOM 760 O ASN A 51 2.664 -14.112 2.868 1.00 42.31 O ATOM 761 CB ASN A 51 0.068 -16.022 3.518 1.00 31.14 C ATOM 762 CG ASN A 51 1.081 -16.856 2.743 1.00 32.31 C ATOM 763 OD1 ASN A 51 1.483 -17.911 3.209 1.00 54.02 O ATOM 764 ND2 ASN A 51 1.490 -16.457 1.552 1.00 50.12 N ATOM 0 H ASN A 51 -0.443 -14.002 2.112 1.00 3.42 H new ATOM 0 HA ASN A 51 0.174 -14.416 4.884 1.00 1.43 H new ATOM 0 HB2 ASN A 51 -0.183 -16.546 4.440 1.00 31.14 H new ATOM 0 HB3 ASN A 51 -0.848 -15.952 2.932 1.00 31.14 H new ATOM 0 HD21 ASN A 51 2.143 -17.031 1.019 1.00 50.12 H new ATOM 0 HD22 ASN A 51 1.152 -15.575 1.166 1.00 50.12 H new ATOM 771 N ASN A 52 2.681 -14.776 5.015 1.00 71.31 N ATOM 772 CA ASN A 52 4.123 -14.972 5.219 1.00 50.34 C ATOM 773 C ASN A 52 4.915 -13.654 5.161 1.00 34.53 C ATOM 774 O ASN A 52 4.330 -12.567 5.157 1.00 42.43 O ATOM 775 CB ASN A 52 4.678 -16.057 4.274 1.00 12.40 C ATOM 776 CG ASN A 52 5.784 -16.869 4.936 1.00 52.04 C ATOM 777 OD1 ASN A 52 6.920 -16.418 5.051 1.00 5.44 O ATOM 778 ND2 ASN A 52 5.459 -18.056 5.423 1.00 50.03 N ATOM 0 H ASN A 52 2.155 -14.920 5.877 1.00 71.31 H new ATOM 0 HA ASN A 52 4.260 -15.341 6.235 1.00 50.34 H new ATOM 0 HB2 ASN A 52 3.870 -16.723 3.970 1.00 12.40 H new ATOM 0 HB3 ASN A 52 5.063 -15.588 3.368 1.00 12.40 H new ATOM 0 HD21 ASN A 52 6.159 -18.618 5.907 1.00 50.03 H new ATOM 0 HD22 ASN A 52 4.508 -18.409 5.315 1.00 50.03 H new ATOM 785 N ASN A 53 6.249 -13.713 5.205 1.00 2.12 N ATOM 786 CA ASN A 53 7.096 -12.594 4.805 1.00 4.22 C ATOM 787 C ASN A 53 7.394 -12.687 3.321 1.00 23.51 C ATOM 788 O ASN A 53 7.108 -13.696 2.677 1.00 11.32 O ATOM 789 CB ASN A 53 8.441 -12.511 5.550 1.00 11.02 C ATOM 790 CG ASN A 53 9.566 -13.476 5.155 1.00 24.12 C ATOM 791 OD1 ASN A 53 10.722 -13.065 5.218 1.00 43.13 O ATOM 792 ND2 ASN A 53 9.316 -14.711 4.758 1.00 13.42 N ATOM 0 H ASN A 53 6.767 -14.534 5.518 1.00 2.12 H new ATOM 0 HA ASN A 53 6.530 -11.698 5.060 1.00 4.22 H new ATOM 0 HB2 ASN A 53 8.821 -11.496 5.433 1.00 11.02 H new ATOM 0 HB3 ASN A 53 8.240 -12.656 6.611 1.00 11.02 H new ATOM 0 HD21 ASN A 53 10.085 -15.330 4.501 1.00 13.42 H new ATOM 0 HD22 ASN A 53 8.354 -15.046 4.708 1.00 13.42 H new ATOM 799 N ASP A 54 8.080 -11.662 2.830 1.00 14.32 N ATOM 800 CA ASP A 54 8.622 -11.672 1.477 1.00 72.32 C ATOM 801 C ASP A 54 10.136 -11.716 1.528 1.00 61.22 C ATOM 802 O ASP A 54 10.765 -10.999 2.313 1.00 13.34 O ATOM 803 CB ASP A 54 8.189 -10.488 0.615 1.00 2.12 C ATOM 804 CG ASP A 54 8.737 -10.745 -0.789 1.00 42.03 C ATOM 805 OD1 ASP A 54 8.335 -11.765 -1.375 1.00 5.14 O ATOM 806 OD2 ASP A 54 9.667 -10.027 -1.242 1.00 24.50 O ATOM 0 H ASP A 54 8.275 -10.808 3.353 1.00 14.32 H new ATOM 0 HA ASP A 54 8.214 -12.566 1.005 1.00 72.32 H new ATOM 0 HB2 ASP A 54 7.103 -10.399 0.596 1.00 2.12 H new ATOM 0 HB3 ASP A 54 8.578 -9.553 1.018 1.00 2.12 H new ATOM 811 N ASP A 55 10.698 -12.561 0.670 1.00 5.43 N ATOM 812 CA ASP A 55 12.110 -12.739 0.412 1.00 30.10 C ATOM 813 C ASP A 55 12.242 -13.679 -0.783 1.00 70.54 C ATOM 814 O ASP A 55 12.167 -14.898 -0.647 1.00 34.13 O ATOM 815 CB ASP A 55 12.875 -13.252 1.649 1.00 3.33 C ATOM 816 CG ASP A 55 12.501 -14.658 2.136 1.00 33.24 C ATOM 817 OD1 ASP A 55 11.304 -14.969 2.346 1.00 33.54 O ATOM 818 OD2 ASP A 55 13.443 -15.447 2.375 1.00 43.03 O ATOM 0 H ASP A 55 10.129 -13.184 0.097 1.00 5.43 H new ATOM 0 HA ASP A 55 12.569 -11.777 0.182 1.00 30.10 H new ATOM 0 HB2 ASP A 55 13.941 -13.239 1.423 1.00 3.33 H new ATOM 0 HB3 ASP A 55 12.714 -12.551 2.468 1.00 3.33 H new ATOM 823 N PHE A 56 12.379 -13.121 -1.982 1.00 2.30 N ATOM 824 CA PHE A 56 12.544 -13.883 -3.231 1.00 43.12 C ATOM 825 C PHE A 56 13.512 -13.190 -4.199 1.00 23.12 C ATOM 826 O PHE A 56 13.482 -13.450 -5.401 1.00 65.35 O ATOM 827 CB PHE A 56 11.177 -14.182 -3.883 1.00 31.44 C ATOM 828 CG PHE A 56 10.451 -13.014 -4.536 1.00 45.22 C ATOM 829 CD1 PHE A 56 10.080 -11.903 -3.768 1.00 25.20 C ATOM 830 CD2 PHE A 56 10.060 -13.060 -5.886 1.00 52.31 C ATOM 831 CE1 PHE A 56 9.317 -10.858 -4.316 1.00 23.34 C ATOM 832 CE2 PHE A 56 9.323 -12.002 -6.448 1.00 43.44 C ATOM 833 CZ PHE A 56 8.941 -10.904 -5.664 1.00 64.35 C ATOM 0 H PHE A 56 12.379 -12.111 -2.123 1.00 2.30 H new ATOM 0 HA PHE A 56 12.997 -14.841 -2.978 1.00 43.12 H new ATOM 0 HB2 PHE A 56 11.324 -14.954 -4.638 1.00 31.44 H new ATOM 0 HB3 PHE A 56 10.523 -14.603 -3.120 1.00 31.44 H new ATOM 0 HD1 PHE A 56 10.387 -11.848 -2.734 1.00 25.20 H new ATOM 0 HD2 PHE A 56 10.327 -13.912 -6.494 1.00 52.31 H new ATOM 0 HE1 PHE A 56 9.022 -10.022 -3.699 1.00 23.34 H new ATOM 0 HE2 PHE A 56 9.049 -12.036 -7.492 1.00 43.44 H new ATOM 0 HZ PHE A 56 8.362 -10.101 -6.096 1.00 64.35 H new ATOM 843 N SER A 57 14.333 -12.272 -3.684 1.00 52.15 N ATOM 844 CA SER A 57 15.208 -11.404 -4.448 1.00 43.44 C ATOM 845 C SER A 57 16.422 -11.049 -3.587 1.00 33.40 C ATOM 846 O SER A 57 16.249 -10.793 -2.394 1.00 30.41 O ATOM 847 CB SER A 57 14.416 -10.133 -4.777 1.00 73.35 C ATOM 848 OG SER A 57 15.163 -9.280 -5.627 1.00 24.42 O ATOM 0 H SER A 57 14.403 -12.113 -2.679 1.00 52.15 H new ATOM 0 HA SER A 57 15.550 -11.888 -5.363 1.00 43.44 H new ATOM 0 HB2 SER A 57 13.475 -10.400 -5.258 1.00 73.35 H new ATOM 0 HB3 SER A 57 14.165 -9.607 -3.856 1.00 73.35 H new ATOM 0 HG SER A 57 14.600 -8.532 -5.916 1.00 24.42 H new ATOM 854 N SER A 58 17.611 -10.906 -4.177 1.00 73.42 N ATOM 855 CA SER A 58 18.808 -10.430 -3.495 1.00 74.41 C ATOM 856 C SER A 58 19.233 -9.082 -4.101 1.00 52.23 C ATOM 857 O SER A 58 20.314 -8.931 -4.686 1.00 65.35 O ATOM 858 CB SER A 58 19.861 -11.548 -3.481 1.00 64.13 C ATOM 859 OG SER A 58 20.492 -11.741 -4.737 1.00 61.14 O ATOM 0 H SER A 58 17.768 -11.123 -5.161 1.00 73.42 H new ATOM 0 HA SER A 58 18.634 -10.210 -2.442 1.00 74.41 H new ATOM 0 HB2 SER A 58 20.619 -11.314 -2.734 1.00 64.13 H new ATOM 0 HB3 SER A 58 19.387 -12.480 -3.173 1.00 64.13 H new ATOM 0 HG SER A 58 20.652 -10.871 -5.160 1.00 61.14 H new ATOM 865 N THR A 59 18.326 -8.113 -4.039 1.00 33.53 N ATOM 866 CA THR A 59 18.404 -6.778 -4.629 1.00 53.31 C ATOM 867 C THR A 59 19.233 -5.822 -3.752 1.00 25.52 C ATOM 868 O THR A 59 19.406 -6.076 -2.555 1.00 53.14 O ATOM 869 CB THR A 59 16.960 -6.263 -4.839 1.00 72.12 C ATOM 870 OG1 THR A 59 16.012 -7.028 -4.103 1.00 63.54 O ATOM 871 CG2 THR A 59 16.582 -6.345 -6.319 1.00 72.55 C ATOM 0 H THR A 59 17.449 -8.249 -3.537 1.00 33.53 H new ATOM 0 HA THR A 59 18.918 -6.824 -5.589 1.00 53.31 H new ATOM 0 HB THR A 59 16.938 -5.231 -4.488 1.00 72.12 H new ATOM 0 HG1 THR A 59 15.799 -7.847 -4.596 1.00 63.54 H new ATOM 0 HG21 THR A 59 15.564 -5.980 -6.455 1.00 72.55 H new ATOM 0 HG22 THR A 59 17.268 -5.733 -6.904 1.00 72.55 H new ATOM 0 HG23 THR A 59 16.644 -7.381 -6.654 1.00 72.55 H new ATOM 879 N PRO A 60 19.795 -4.742 -4.327 1.00 63.31 N ATOM 880 CA PRO A 60 20.651 -3.815 -3.598 1.00 43.22 C ATOM 881 C PRO A 60 19.837 -2.931 -2.653 1.00 72.42 C ATOM 882 O PRO A 60 18.615 -2.804 -2.782 1.00 30.32 O ATOM 883 CB PRO A 60 21.377 -2.990 -4.665 1.00 61.35 C ATOM 884 CG PRO A 60 20.451 -3.053 -5.876 1.00 54.44 C ATOM 885 CD PRO A 60 19.711 -4.373 -5.731 1.00 13.10 C ATOM 0 HA PRO A 60 21.361 -4.343 -2.962 1.00 43.22 H new ATOM 0 HB2 PRO A 60 21.534 -1.963 -4.336 1.00 61.35 H new ATOM 0 HB3 PRO A 60 22.359 -3.406 -4.891 1.00 61.35 H new ATOM 0 HG2 PRO A 60 19.759 -2.211 -5.889 1.00 54.44 H new ATOM 0 HG3 PRO A 60 21.015 -3.016 -6.808 1.00 54.44 H new ATOM 0 HD2 PRO A 60 18.672 -4.271 -6.044 1.00 13.10 H new ATOM 0 HD3 PRO A 60 20.160 -5.141 -6.361 1.00 13.10 H new ATOM 893 N SER A 61 20.536 -2.242 -1.755 1.00 2.23 N ATOM 894 CA SER A 61 19.988 -1.452 -0.668 1.00 3.14 C ATOM 895 C SER A 61 20.401 0.012 -0.857 1.00 51.14 C ATOM 896 O SER A 61 20.877 0.698 0.054 1.00 72.31 O ATOM 897 CB SER A 61 20.413 -2.091 0.658 1.00 5.11 C ATOM 898 OG SER A 61 21.810 -2.319 0.720 1.00 32.30 O ATOM 0 H SER A 61 21.556 -2.222 -1.772 1.00 2.23 H new ATOM 0 HA SER A 61 18.898 -1.444 -0.660 1.00 3.14 H new ATOM 0 HB2 SER A 61 20.116 -1.444 1.483 1.00 5.11 H new ATOM 0 HB3 SER A 61 19.886 -3.036 0.789 1.00 5.11 H new ATOM 0 HG SER A 61 22.037 -2.726 1.582 1.00 32.30 H new ATOM 904 N ASN A 62 20.205 0.513 -2.076 1.00 3.43 N ATOM 905 CA ASN A 62 20.356 1.924 -2.406 1.00 31.41 C ATOM 906 C ASN A 62 19.039 2.682 -2.191 1.00 5.21 C ATOM 907 O ASN A 62 18.908 3.757 -2.778 1.00 2.02 O ATOM 908 CB ASN A 62 20.842 2.090 -3.857 1.00 50.14 C ATOM 909 CG ASN A 62 22.142 1.405 -4.176 1.00 61.11 C ATOM 910 OD1 ASN A 62 23.127 1.500 -3.452 1.00 44.01 O ATOM 911 ND2 ASN A 62 22.159 0.707 -5.292 1.00 64.45 N ATOM 0 H ASN A 62 19.932 -0.062 -2.873 1.00 3.43 H new ATOM 0 HA ASN A 62 21.105 2.349 -1.738 1.00 31.41 H new ATOM 0 HB2 ASN A 62 20.073 1.707 -4.528 1.00 50.14 H new ATOM 0 HB3 ASN A 62 20.948 3.154 -4.069 1.00 50.14 H new ATOM 0 HD21 ASN A 62 23.010 0.224 -5.578 1.00 64.45 H new ATOM 0 HD22 ASN A 62 21.321 0.650 -5.870 1.00 64.45 H new ATOM 918 N PHE A 63 18.049 2.140 -1.452 1.00 30.10 N ATOM 919 CA PHE A 63 16.731 2.770 -1.309 1.00 53.02 C ATOM 920 C PHE A 63 16.866 4.266 -1.007 1.00 43.05 C ATOM 921 O PHE A 63 17.745 4.691 -0.247 1.00 21.22 O ATOM 922 CB PHE A 63 15.895 2.071 -0.221 1.00 53.43 C ATOM 923 CG PHE A 63 14.627 2.815 0.173 1.00 21.11 C ATOM 924 CD1 PHE A 63 14.696 3.847 1.129 1.00 11.22 C ATOM 925 CD2 PHE A 63 13.385 2.499 -0.407 1.00 70.21 C ATOM 926 CE1 PHE A 63 13.553 4.594 1.455 1.00 24.31 C ATOM 927 CE2 PHE A 63 12.239 3.246 -0.084 1.00 24.44 C ATOM 928 CZ PHE A 63 12.328 4.302 0.838 1.00 33.10 C ATOM 0 H PHE A 63 18.144 1.261 -0.944 1.00 30.10 H new ATOM 0 HA PHE A 63 16.209 2.660 -2.259 1.00 53.02 H new ATOM 0 HB2 PHE A 63 15.623 1.076 -0.572 1.00 53.43 H new ATOM 0 HB3 PHE A 63 16.514 1.938 0.666 1.00 53.43 H new ATOM 0 HD1 PHE A 63 15.635 4.065 1.615 1.00 11.22 H new ATOM 0 HD2 PHE A 63 13.312 1.678 -1.104 1.00 70.21 H new ATOM 0 HE1 PHE A 63 13.617 5.392 2.180 1.00 24.31 H new ATOM 0 HE2 PHE A 63 11.291 3.008 -0.544 1.00 24.44 H new ATOM 0 HZ PHE A 63 11.452 4.889 1.072 1.00 33.10 H new ATOM 938 N SER A 64 16.004 5.070 -1.632 1.00 43.32 N ATOM 939 CA SER A 64 15.930 6.499 -1.373 1.00 65.51 C ATOM 940 C SER A 64 14.518 7.052 -1.538 1.00 23.31 C ATOM 941 O SER A 64 14.182 8.028 -0.865 1.00 12.34 O ATOM 942 CB SER A 64 16.895 7.219 -2.319 1.00 33.32 C ATOM 943 OG SER A 64 18.207 6.743 -2.112 1.00 42.13 O ATOM 0 H SER A 64 15.339 4.743 -2.332 1.00 43.32 H new ATOM 0 HA SER A 64 16.211 6.671 -0.334 1.00 65.51 H new ATOM 0 HB2 SER A 64 16.597 7.053 -3.354 1.00 33.32 H new ATOM 0 HB3 SER A 64 16.856 8.294 -2.145 1.00 33.32 H new ATOM 0 HG SER A 64 18.700 7.377 -1.551 1.00 42.13 H new ATOM 949 N LYS A 65 13.687 6.483 -2.420 1.00 24.24 N ATOM 950 CA LYS A 65 12.454 7.098 -2.863 1.00 65.35 C ATOM 951 C LYS A 65 11.429 6.029 -3.195 1.00 23.50 C ATOM 952 O LYS A 65 11.735 4.838 -3.274 1.00 2.01 O ATOM 953 CB LYS A 65 12.812 7.931 -4.092 1.00 4.40 C ATOM 954 CG LYS A 65 11.657 8.802 -4.594 1.00 52.32 C ATOM 955 CD LYS A 65 12.186 10.067 -5.254 1.00 73.11 C ATOM 956 CE LYS A 65 11.156 10.851 -6.079 1.00 64.44 C ATOM 957 NZ LYS A 65 10.144 11.576 -5.277 1.00 50.13 N ATOM 0 H LYS A 65 13.864 5.572 -2.844 1.00 24.24 H new ATOM 0 HA LYS A 65 12.011 7.727 -2.090 1.00 65.35 H new ATOM 0 HB2 LYS A 65 13.662 8.570 -3.853 1.00 4.40 H new ATOM 0 HB3 LYS A 65 13.130 7.264 -4.894 1.00 4.40 H new ATOM 0 HG2 LYS A 65 11.053 8.239 -5.306 1.00 52.32 H new ATOM 0 HG3 LYS A 65 11.005 9.066 -3.761 1.00 52.32 H new ATOM 0 HD2 LYS A 65 12.584 10.723 -4.480 1.00 73.11 H new ATOM 0 HD3 LYS A 65 13.020 9.798 -5.903 1.00 73.11 H new ATOM 0 HE2 LYS A 65 11.684 11.568 -6.707 1.00 64.44 H new ATOM 0 HE3 LYS A 65 10.643 10.159 -6.747 1.00 64.44 H new ATOM 0 HZ1 LYS A 65 9.491 12.076 -5.913 1.00 50.13 H new ATOM 0 HZ2 LYS A 65 9.611 10.898 -4.696 1.00 50.13 H new ATOM 0 HZ3 LYS A 65 10.619 12.263 -4.658 1.00 50.13 H new ATOM 971 N LEU A 66 10.203 6.464 -3.450 1.00 2.13 N ATOM 972 CA LEU A 66 9.081 5.608 -3.756 1.00 30.51 C ATOM 973 C LEU A 66 8.606 5.882 -5.178 1.00 44.01 C ATOM 974 O LEU A 66 9.016 6.850 -5.825 1.00 51.41 O ATOM 975 CB LEU A 66 7.969 5.825 -2.711 1.00 23.54 C ATOM 976 CG LEU A 66 8.144 5.094 -1.360 1.00 62.35 C ATOM 977 CD1 LEU A 66 8.417 3.591 -1.530 1.00 65.44 C ATOM 978 CD2 LEU A 66 9.216 5.715 -0.463 1.00 2.43 C ATOM 0 H LEU A 66 9.961 7.455 -3.448 1.00 2.13 H new ATOM 0 HA LEU A 66 9.375 4.560 -3.706 1.00 30.51 H new ATOM 0 HB2 LEU A 66 7.890 6.894 -2.513 1.00 23.54 H new ATOM 0 HB3 LEU A 66 7.022 5.511 -3.149 1.00 23.54 H new ATOM 0 HG LEU A 66 7.183 5.218 -0.860 1.00 62.35 H new ATOM 0 HD11 LEU A 66 8.531 3.129 -0.549 1.00 65.44 H new ATOM 0 HD12 LEU A 66 7.582 3.127 -2.055 1.00 65.44 H new ATOM 0 HD13 LEU A 66 9.331 3.450 -2.106 1.00 65.44 H new ATOM 0 HD21 LEU A 66 9.284 5.151 0.467 1.00 2.43 H new ATOM 0 HD22 LEU A 66 10.178 5.689 -0.974 1.00 2.43 H new ATOM 0 HD23 LEU A 66 8.951 6.749 -0.242 1.00 2.43 H new ATOM 990 N LYS A 67 7.763 4.981 -5.659 1.00 45.03 N ATOM 991 CA LYS A 67 6.977 5.075 -6.875 1.00 23.12 C ATOM 992 C LYS A 67 5.616 4.447 -6.542 1.00 12.30 C ATOM 993 O LYS A 67 5.322 4.222 -5.365 1.00 70.44 O ATOM 994 CB LYS A 67 7.751 4.389 -8.016 1.00 74.31 C ATOM 995 CG LYS A 67 7.888 5.268 -9.260 1.00 45.05 C ATOM 996 CD LYS A 67 8.554 4.427 -10.351 1.00 65.12 C ATOM 997 CE LYS A 67 7.546 3.597 -11.151 1.00 43.35 C ATOM 998 NZ LYS A 67 6.962 4.335 -12.282 1.00 65.11 N ATOM 0 H LYS A 67 7.600 4.100 -5.171 1.00 45.03 H new ATOM 0 HA LYS A 67 6.802 6.093 -7.223 1.00 23.12 H new ATOM 0 HB2 LYS A 67 8.744 4.116 -7.660 1.00 74.31 H new ATOM 0 HB3 LYS A 67 7.243 3.463 -8.286 1.00 74.31 H new ATOM 0 HG2 LYS A 67 6.910 5.619 -9.590 1.00 45.05 H new ATOM 0 HG3 LYS A 67 8.486 6.152 -9.040 1.00 45.05 H new ATOM 0 HD2 LYS A 67 9.098 5.084 -11.030 1.00 65.12 H new ATOM 0 HD3 LYS A 67 9.287 3.761 -9.895 1.00 65.12 H new ATOM 0 HE2 LYS A 67 8.039 2.700 -11.525 1.00 43.35 H new ATOM 0 HE3 LYS A 67 6.746 3.268 -10.487 1.00 43.35 H new ATOM 0 HZ1 LYS A 67 6.019 3.953 -12.496 1.00 65.11 H new ATOM 0 HZ2 LYS A 67 6.880 5.342 -12.034 1.00 65.11 H new ATOM 0 HZ3 LYS A 67 7.574 4.233 -13.117 1.00 65.11 H new ATOM 1012 N GLU A 68 4.769 4.219 -7.540 1.00 14.14 N ATOM 1013 CA GLU A 68 3.417 3.709 -7.343 1.00 41.34 C ATOM 1014 C GLU A 68 3.353 2.308 -6.710 1.00 42.04 C ATOM 1015 O GLU A 68 4.358 1.639 -6.459 1.00 44.01 O ATOM 1016 CB GLU A 68 2.691 3.700 -8.692 1.00 61.21 C ATOM 1017 CG GLU A 68 3.349 2.714 -9.673 1.00 5.24 C ATOM 1018 CD GLU A 68 4.238 3.394 -10.723 1.00 13.12 C ATOM 1019 OE1 GLU A 68 4.660 4.556 -10.521 1.00 30.30 O ATOM 1020 OE2 GLU A 68 4.631 2.747 -11.719 1.00 51.34 O ATOM 0 H GLU A 68 5.004 4.385 -8.519 1.00 14.14 H new ATOM 0 HA GLU A 68 2.932 4.377 -6.631 1.00 41.34 H new ATOM 0 HB2 GLU A 68 1.646 3.426 -8.544 1.00 61.21 H new ATOM 0 HB3 GLU A 68 2.700 4.703 -9.119 1.00 61.21 H new ATOM 0 HG2 GLU A 68 3.949 1.999 -9.109 1.00 5.24 H new ATOM 0 HG3 GLU A 68 2.570 2.146 -10.181 1.00 5.24 H new ATOM 1027 N ILE A 69 2.124 1.832 -6.519 1.00 13.11 N ATOM 1028 CA ILE A 69 1.803 0.512 -6.004 1.00 71.34 C ATOM 1029 C ILE A 69 0.641 0.003 -6.846 1.00 2.41 C ATOM 1030 O ILE A 69 -0.321 0.724 -7.126 1.00 54.32 O ATOM 1031 CB ILE A 69 1.398 0.553 -4.514 1.00 44.42 C ATOM 1032 CG1 ILE A 69 2.433 1.265 -3.609 1.00 53.13 C ATOM 1033 CG2 ILE A 69 1.168 -0.868 -3.971 1.00 45.31 C ATOM 1034 CD1 ILE A 69 1.799 1.873 -2.359 1.00 45.43 C ATOM 0 H ILE A 69 1.292 2.384 -6.730 1.00 13.11 H new ATOM 0 HA ILE A 69 2.675 -0.139 -6.066 1.00 71.34 H new ATOM 0 HB ILE A 69 0.475 1.132 -4.482 1.00 44.42 H new ATOM 0 HG12 ILE A 69 3.202 0.552 -3.312 1.00 53.13 H new ATOM 0 HG13 ILE A 69 2.929 2.050 -4.179 1.00 53.13 H new ATOM 0 HG21 ILE A 69 0.884 -0.814 -2.920 1.00 45.31 H new ATOM 0 HG22 ILE A 69 0.372 -1.350 -4.538 1.00 45.31 H new ATOM 0 HG23 ILE A 69 2.086 -1.448 -4.070 1.00 45.31 H new ATOM 0 HD11 ILE A 69 2.569 2.359 -1.760 1.00 45.43 H new ATOM 0 HD12 ILE A 69 1.049 2.608 -2.652 1.00 45.43 H new ATOM 0 HD13 ILE A 69 1.326 1.086 -1.772 1.00 45.43 H new ATOM 1046 N ASP A 70 0.693 -1.265 -7.204 1.00 4.30 N ATOM 1047 CA ASP A 70 -0.412 -1.982 -7.797 1.00 63.41 C ATOM 1048 C ASP A 70 -0.843 -3.013 -6.764 1.00 5.03 C ATOM 1049 O ASP A 70 -0.014 -3.585 -6.052 1.00 73.55 O ATOM 1050 CB ASP A 70 0.002 -2.546 -9.158 1.00 31.13 C ATOM 1051 CG ASP A 70 -0.028 -1.426 -10.192 1.00 30.33 C ATOM 1052 OD1 ASP A 70 -1.117 -1.160 -10.747 1.00 50.22 O ATOM 1053 OD2 ASP A 70 1.009 -0.750 -10.404 1.00 65.51 O ATOM 0 H ASP A 70 1.529 -1.838 -7.086 1.00 4.30 H new ATOM 0 HA ASP A 70 -1.272 -1.353 -8.026 1.00 63.41 H new ATOM 0 HB2 ASP A 70 1.002 -2.976 -9.098 1.00 31.13 H new ATOM 0 HB3 ASP A 70 -0.673 -3.349 -9.454 1.00 31.13 H new ATOM 1058 N LEU A 71 -2.156 -3.140 -6.605 1.00 71.23 N ATOM 1059 CA LEU A 71 -2.820 -3.853 -5.529 1.00 31.41 C ATOM 1060 C LEU A 71 -3.766 -4.873 -6.155 1.00 10.03 C ATOM 1061 O LEU A 71 -4.460 -4.542 -7.122 1.00 42.24 O ATOM 1062 CB LEU A 71 -3.627 -2.817 -4.728 1.00 13.03 C ATOM 1063 CG LEU A 71 -3.877 -3.103 -3.244 1.00 33.34 C ATOM 1064 CD1 LEU A 71 -4.503 -4.464 -2.986 1.00 4.03 C ATOM 1065 CD2 LEU A 71 -2.620 -2.895 -2.406 1.00 4.22 C ATOM 0 H LEU A 71 -2.818 -2.725 -7.261 1.00 71.23 H new ATOM 0 HA LEU A 71 -2.111 -4.365 -4.878 1.00 31.41 H new ATOM 0 HB2 LEU A 71 -3.112 -1.859 -4.803 1.00 13.03 H new ATOM 0 HB3 LEU A 71 -4.595 -2.697 -5.214 1.00 13.03 H new ATOM 0 HG LEU A 71 -4.616 -2.368 -2.924 1.00 33.34 H new ATOM 0 HD11 LEU A 71 -4.652 -4.599 -1.915 1.00 4.03 H new ATOM 0 HD12 LEU A 71 -5.464 -4.525 -3.496 1.00 4.03 H new ATOM 0 HD13 LEU A 71 -3.843 -5.245 -3.362 1.00 4.03 H new ATOM 0 HD21 LEU A 71 -2.841 -3.108 -1.360 1.00 4.22 H new ATOM 0 HD22 LEU A 71 -1.835 -3.565 -2.755 1.00 4.22 H new ATOM 0 HD23 LEU A 71 -2.285 -1.862 -2.503 1.00 4.22 H new ATOM 1077 N LYS A 72 -3.877 -6.063 -5.569 1.00 5.40 N ATOM 1078 CA LYS A 72 -4.751 -7.140 -6.029 1.00 3.00 C ATOM 1079 C LYS A 72 -5.300 -7.906 -4.833 1.00 42.31 C ATOM 1080 O LYS A 72 -4.595 -8.123 -3.848 1.00 62.21 O ATOM 1081 CB LYS A 72 -3.961 -8.068 -6.966 1.00 14.21 C ATOM 1082 CG LYS A 72 -3.790 -7.422 -8.339 1.00 44.13 C ATOM 1083 CD LYS A 72 -3.116 -8.364 -9.340 1.00 22.13 C ATOM 1084 CE LYS A 72 -3.046 -7.714 -10.724 1.00 5.43 C ATOM 1085 NZ LYS A 72 -4.382 -7.337 -11.227 1.00 70.51 N ATOM 0 H LYS A 72 -3.345 -6.312 -4.735 1.00 5.40 H new ATOM 0 HA LYS A 72 -5.595 -6.725 -6.580 1.00 3.00 H new ATOM 0 HB2 LYS A 72 -2.983 -8.283 -6.535 1.00 14.21 H new ATOM 0 HB3 LYS A 72 -4.481 -9.020 -7.068 1.00 14.21 H new ATOM 0 HG2 LYS A 72 -4.766 -7.124 -8.723 1.00 44.13 H new ATOM 0 HG3 LYS A 72 -3.196 -6.514 -8.240 1.00 44.13 H new ATOM 0 HD2 LYS A 72 -2.111 -8.611 -8.996 1.00 22.13 H new ATOM 0 HD3 LYS A 72 -3.672 -9.300 -9.399 1.00 22.13 H new ATOM 0 HE2 LYS A 72 -2.413 -6.828 -10.677 1.00 5.43 H new ATOM 0 HE3 LYS A 72 -2.576 -8.404 -11.425 1.00 5.43 H new ATOM 0 HZ1 LYS A 72 -4.341 -7.207 -12.258 1.00 70.51 H new ATOM 0 HZ2 LYS A 72 -5.063 -8.089 -11.000 1.00 70.51 H new ATOM 0 HZ3 LYS A 72 -4.684 -6.449 -10.778 1.00 70.51 H new ATOM 1099 N LYS A 73 -6.583 -8.264 -4.885 1.00 1.24 N ATOM 1100 CA LYS A 73 -7.291 -9.022 -3.861 1.00 31.52 C ATOM 1101 C LYS A 73 -8.233 -9.982 -4.566 1.00 64.13 C ATOM 1102 O LYS A 73 -8.933 -9.578 -5.497 1.00 30.43 O ATOM 1103 CB LYS A 73 -8.112 -8.081 -2.971 1.00 4.30 C ATOM 1104 CG LYS A 73 -7.251 -7.123 -2.135 1.00 44.25 C ATOM 1105 CD LYS A 73 -8.107 -6.027 -1.491 1.00 65.35 C ATOM 1106 CE LYS A 73 -8.028 -4.700 -2.258 1.00 25.54 C ATOM 1107 NZ LYS A 73 -8.584 -4.740 -3.632 1.00 4.03 N ATOM 0 H LYS A 73 -7.180 -8.022 -5.676 1.00 1.24 H new ATOM 0 HA LYS A 73 -6.576 -9.557 -3.235 1.00 31.52 H new ATOM 0 HB2 LYS A 73 -8.787 -7.498 -3.598 1.00 4.30 H new ATOM 0 HB3 LYS A 73 -8.733 -8.676 -2.302 1.00 4.30 H new ATOM 0 HG2 LYS A 73 -6.728 -7.683 -1.359 1.00 44.25 H new ATOM 0 HG3 LYS A 73 -6.489 -6.668 -2.768 1.00 44.25 H new ATOM 0 HD2 LYS A 73 -9.145 -6.358 -1.448 1.00 65.35 H new ATOM 0 HD3 LYS A 73 -7.779 -5.870 -0.463 1.00 65.35 H new ATOM 0 HE2 LYS A 73 -8.558 -3.936 -1.689 1.00 25.54 H new ATOM 0 HE3 LYS A 73 -6.984 -4.390 -2.313 1.00 25.54 H new ATOM 0 HZ1 LYS A 73 -8.412 -3.829 -4.103 1.00 4.03 H new ATOM 0 HZ2 LYS A 73 -8.123 -5.500 -4.171 1.00 4.03 H new ATOM 0 HZ3 LYS A 73 -9.607 -4.919 -3.587 1.00 4.03 H new ATOM 1121 N ASP A 74 -8.298 -11.222 -4.110 1.00 22.13 N ATOM 1122 CA ASP A 74 -9.270 -12.216 -4.543 1.00 32.50 C ATOM 1123 C ASP A 74 -10.639 -12.004 -3.893 1.00 32.40 C ATOM 1124 O ASP A 74 -10.904 -10.991 -3.238 1.00 70.32 O ATOM 1125 CB ASP A 74 -8.730 -13.624 -4.260 1.00 1.25 C ATOM 1126 CG ASP A 74 -9.386 -14.659 -5.169 1.00 44.40 C ATOM 1127 OD1 ASP A 74 -9.179 -14.629 -6.405 1.00 43.40 O ATOM 1128 OD2 ASP A 74 -10.136 -15.507 -4.654 1.00 13.13 O ATOM 0 H ASP A 74 -7.654 -11.578 -3.404 1.00 22.13 H new ATOM 0 HA ASP A 74 -9.418 -12.102 -5.617 1.00 32.50 H new ATOM 0 HB2 ASP A 74 -7.650 -13.639 -4.408 1.00 1.25 H new ATOM 0 HB3 ASP A 74 -8.913 -13.884 -3.217 1.00 1.25 H new ATOM 1133 N ASN A 75 -11.539 -12.965 -4.101 1.00 2.41 N ATOM 1134 CA ASN A 75 -12.851 -13.054 -3.500 1.00 43.41 C ATOM 1135 C ASN A 75 -12.685 -13.522 -2.066 1.00 61.44 C ATOM 1136 O ASN A 75 -12.502 -14.709 -1.808 1.00 33.52 O ATOM 1137 CB ASN A 75 -13.713 -14.012 -4.320 1.00 70.22 C ATOM 1138 CG ASN A 75 -14.105 -13.425 -5.660 1.00 23.14 C ATOM 1139 OD1 ASN A 75 -13.926 -14.052 -6.703 1.00 13.05 O ATOM 1140 ND2 ASN A 75 -14.650 -12.221 -5.633 1.00 25.55 N ATOM 0 H ASN A 75 -11.351 -13.744 -4.732 1.00 2.41 H new ATOM 0 HA ASN A 75 -13.352 -12.086 -3.492 1.00 43.41 H new ATOM 0 HB2 ASN A 75 -13.168 -14.943 -4.478 1.00 70.22 H new ATOM 0 HB3 ASN A 75 -14.613 -14.261 -3.757 1.00 70.22 H new ATOM 0 HD21 ASN A 75 -14.942 -11.774 -6.502 1.00 25.55 H new ATOM 0 HD22 ASN A 75 -14.779 -11.739 -4.743 1.00 25.55 H new ATOM 1147 N VAL A 76 -12.697 -12.571 -1.143 1.00 14.21 N ATOM 1148 CA VAL A 76 -12.324 -12.788 0.244 1.00 2.14 C ATOM 1149 C VAL A 76 -13.394 -13.629 0.971 1.00 23.32 C ATOM 1150 O VAL A 76 -14.586 -13.466 0.696 1.00 43.32 O ATOM 1151 CB VAL A 76 -12.089 -11.398 0.859 1.00 3.14 C ATOM 1152 CG1 VAL A 76 -12.284 -11.202 2.357 1.00 1.22 C ATOM 1153 CG2 VAL A 76 -10.746 -10.798 0.420 1.00 43.44 C ATOM 0 H VAL A 76 -12.972 -11.609 -1.343 1.00 14.21 H new ATOM 0 HA VAL A 76 -11.408 -13.371 0.340 1.00 2.14 H new ATOM 0 HB VAL A 76 -12.933 -10.852 0.436 1.00 3.14 H new ATOM 0 HG11 VAL A 76 -12.077 -10.164 2.618 1.00 1.22 H new ATOM 0 HG12 VAL A 76 -13.312 -11.445 2.625 1.00 1.22 H new ATOM 0 HG13 VAL A 76 -11.603 -11.856 2.901 1.00 1.22 H new ATOM 0 HG21 VAL A 76 -10.619 -9.816 0.877 1.00 43.44 H new ATOM 0 HG22 VAL A 76 -9.934 -11.453 0.736 1.00 43.44 H new ATOM 0 HG23 VAL A 76 -10.730 -10.698 -0.665 1.00 43.44 H new ATOM 1163 N PRO A 77 -12.974 -14.484 1.917 1.00 32.13 N ATOM 1164 CA PRO A 77 -13.820 -15.301 2.776 1.00 10.03 C ATOM 1165 C PRO A 77 -14.440 -14.471 3.908 1.00 30.14 C ATOM 1166 O PRO A 77 -14.098 -13.303 4.114 1.00 74.12 O ATOM 1167 CB PRO A 77 -12.860 -16.340 3.358 1.00 33.45 C ATOM 1168 CG PRO A 77 -11.590 -15.517 3.549 1.00 12.03 C ATOM 1169 CD PRO A 77 -11.587 -14.638 2.300 1.00 71.12 C ATOM 0 HA PRO A 77 -14.654 -15.739 2.228 1.00 10.03 H new ATOM 0 HB2 PRO A 77 -13.225 -16.753 4.298 1.00 33.45 H new ATOM 0 HB3 PRO A 77 -12.705 -17.179 2.680 1.00 33.45 H new ATOM 0 HG2 PRO A 77 -11.622 -14.925 4.464 1.00 12.03 H new ATOM 0 HG3 PRO A 77 -10.702 -16.146 3.607 1.00 12.03 H new ATOM 0 HD2 PRO A 77 -11.129 -13.670 2.505 1.00 71.12 H new ATOM 0 HD3 PRO A 77 -11.010 -15.100 1.499 1.00 71.12 H new ATOM 1177 N SER A 78 -15.302 -15.115 4.699 1.00 32.32 N ATOM 1178 CA SER A 78 -16.203 -14.501 5.677 1.00 64.44 C ATOM 1179 C SER A 78 -15.529 -13.493 6.608 1.00 3.15 C ATOM 1180 O SER A 78 -16.146 -12.482 6.951 1.00 30.05 O ATOM 1181 CB SER A 78 -16.852 -15.602 6.517 1.00 3.25 C ATOM 1182 OG SER A 78 -17.469 -16.559 5.680 1.00 65.30 O ATOM 0 H SER A 78 -15.395 -16.130 4.673 1.00 32.32 H new ATOM 0 HA SER A 78 -16.941 -13.940 5.104 1.00 64.44 H new ATOM 0 HB2 SER A 78 -16.099 -16.085 7.140 1.00 3.25 H new ATOM 0 HB3 SER A 78 -17.591 -15.167 7.190 1.00 3.25 H new ATOM 0 HG SER A 78 -17.879 -17.259 6.230 1.00 65.30 H new ATOM 1188 N ASP A 79 -14.283 -13.750 7.014 1.00 25.44 N ATOM 1189 CA ASP A 79 -13.558 -13.011 8.051 1.00 65.34 C ATOM 1190 C ASP A 79 -13.573 -11.516 7.793 1.00 54.30 C ATOM 1191 O ASP A 79 -13.829 -10.709 8.690 1.00 65.01 O ATOM 1192 CB ASP A 79 -12.100 -13.487 8.114 1.00 44.10 C ATOM 1193 CG ASP A 79 -12.025 -14.938 8.551 1.00 51.13 C ATOM 1194 OD1 ASP A 79 -12.135 -15.188 9.774 1.00 64.42 O ATOM 1195 OD2 ASP A 79 -11.969 -15.807 7.650 1.00 50.51 O ATOM 0 H ASP A 79 -13.730 -14.508 6.614 1.00 25.44 H new ATOM 0 HA ASP A 79 -14.062 -13.204 8.998 1.00 65.34 H new ATOM 0 HB2 ASP A 79 -11.633 -13.373 7.136 1.00 44.10 H new ATOM 0 HB3 ASP A 79 -11.539 -12.863 8.810 1.00 44.10 H new ATOM 1200 N ASP A 80 -13.357 -11.168 6.528 1.00 11.20 N ATOM 1201 CA ASP A 80 -13.031 -9.820 6.081 1.00 50.11 C ATOM 1202 C ASP A 80 -13.907 -9.440 4.877 1.00 5.11 C ATOM 1203 O ASP A 80 -13.667 -8.478 4.143 1.00 14.51 O ATOM 1204 CB ASP A 80 -11.523 -9.810 5.801 1.00 13.11 C ATOM 1205 CG ASP A 80 -10.836 -8.468 5.966 1.00 72.14 C ATOM 1206 OD1 ASP A 80 -11.322 -7.622 6.746 1.00 45.32 O ATOM 1207 OD2 ASP A 80 -9.782 -8.308 5.319 1.00 70.23 O ATOM 0 H ASP A 80 -13.406 -11.839 5.762 1.00 11.20 H new ATOM 0 HA ASP A 80 -13.246 -9.058 6.830 1.00 50.11 H new ATOM 0 HB2 ASP A 80 -11.043 -10.528 6.466 1.00 13.11 H new ATOM 0 HB3 ASP A 80 -11.358 -10.160 4.782 1.00 13.11 H new ATOM 1212 N PHE A 81 -14.946 -10.241 4.642 1.00 50.42 N ATOM 1213 CA PHE A 81 -15.878 -10.181 3.531 1.00 13.43 C ATOM 1214 C PHE A 81 -16.743 -8.927 3.564 1.00 21.22 C ATOM 1215 O PHE A 81 -17.152 -8.427 2.515 1.00 1.21 O ATOM 1216 CB PHE A 81 -16.798 -11.404 3.651 1.00 13.15 C ATOM 1217 CG PHE A 81 -17.483 -11.896 2.402 1.00 65.32 C ATOM 1218 CD1 PHE A 81 -17.007 -11.561 1.121 1.00 23.53 C ATOM 1219 CD2 PHE A 81 -18.554 -12.798 2.532 1.00 50.13 C ATOM 1220 CE1 PHE A 81 -17.604 -12.113 -0.011 1.00 71.43 C ATOM 1221 CE2 PHE A 81 -19.138 -13.363 1.388 1.00 43.23 C ATOM 1222 CZ PHE A 81 -18.665 -13.023 0.112 1.00 50.24 C ATOM 0 H PHE A 81 -15.170 -11.007 5.277 1.00 50.42 H new ATOM 0 HA PHE A 81 -15.313 -10.165 2.599 1.00 13.43 H new ATOM 0 HB2 PHE A 81 -16.209 -12.227 4.056 1.00 13.15 H new ATOM 0 HB3 PHE A 81 -17.569 -11.172 4.386 1.00 13.15 H new ATOM 0 HD1 PHE A 81 -16.179 -10.876 1.015 1.00 23.53 H new ATOM 0 HD2 PHE A 81 -18.927 -13.056 3.512 1.00 50.13 H new ATOM 0 HE1 PHE A 81 -17.247 -11.838 -0.992 1.00 71.43 H new ATOM 0 HE2 PHE A 81 -19.955 -14.062 1.490 1.00 43.23 H new ATOM 0 HZ PHE A 81 -19.114 -13.458 -0.769 1.00 50.24 H new ATOM 1232 N ASN A 82 -17.054 -8.441 4.765 1.00 14.31 N ATOM 1233 CA ASN A 82 -17.893 -7.267 4.986 1.00 50.43 C ATOM 1234 C ASN A 82 -17.036 -6.010 5.064 1.00 43.44 C ATOM 1235 O ASN A 82 -17.576 -4.911 5.192 1.00 22.14 O ATOM 1236 CB ASN A 82 -18.709 -7.423 6.280 1.00 44.32 C ATOM 1237 CG ASN A 82 -19.604 -8.647 6.215 1.00 31.02 C ATOM 1238 OD1 ASN A 82 -20.673 -8.604 5.613 1.00 5.23 O ATOM 1239 ND2 ASN A 82 -19.150 -9.759 6.766 1.00 71.42 N ATOM 0 H ASN A 82 -16.721 -8.864 5.631 1.00 14.31 H new ATOM 0 HA ASN A 82 -18.581 -7.176 4.145 1.00 50.43 H new ATOM 0 HB2 ASN A 82 -18.034 -7.507 7.132 1.00 44.32 H new ATOM 0 HB3 ASN A 82 -19.316 -6.532 6.441 1.00 44.32 H new ATOM 0 HD21 ASN A 82 -19.693 -10.620 6.699 1.00 71.42 H new ATOM 0 HD22 ASN A 82 -18.257 -9.756 7.259 1.00 71.42 H new ATOM 1246 N THR A 83 -15.711 -6.147 5.024 1.00 3.43 N ATOM 1247 CA THR A 83 -14.818 -5.071 5.381 1.00 21.31 C ATOM 1248 C THR A 83 -14.904 -3.931 4.378 1.00 54.14 C ATOM 1249 O THR A 83 -14.861 -4.122 3.155 1.00 53.53 O ATOM 1250 CB THR A 83 -13.416 -5.641 5.617 1.00 33.41 C ATOM 1251 OG1 THR A 83 -13.568 -6.506 6.718 1.00 53.53 O ATOM 1252 CG2 THR A 83 -12.396 -4.561 5.957 1.00 44.11 C ATOM 0 H THR A 83 -15.239 -7.006 4.743 1.00 3.43 H new ATOM 0 HA THR A 83 -15.118 -4.611 6.322 1.00 21.31 H new ATOM 0 HB THR A 83 -13.043 -6.133 4.719 1.00 33.41 H new ATOM 0 HG1 THR A 83 -12.688 -6.712 7.096 1.00 53.53 H new ATOM 0 HG21 THR A 83 -11.420 -5.019 6.114 1.00 44.11 H new ATOM 0 HG22 THR A 83 -12.334 -3.848 5.135 1.00 44.11 H new ATOM 0 HG23 THR A 83 -12.704 -4.042 6.865 1.00 44.11 H new ATOM 1260 N THR A 84 -15.034 -2.730 4.915 1.00 70.13 N ATOM 1261 CA THR A 84 -14.946 -1.475 4.207 1.00 34.23 C ATOM 1262 C THR A 84 -14.009 -0.583 5.015 1.00 4.40 C ATOM 1263 O THR A 84 -13.595 -0.930 6.127 1.00 5.14 O ATOM 1264 CB THR A 84 -16.350 -0.888 4.021 1.00 14.34 C ATOM 1265 OG1 THR A 84 -16.980 -0.633 5.253 1.00 63.13 O ATOM 1266 CG2 THR A 84 -17.266 -1.838 3.250 1.00 33.20 C ATOM 0 H THR A 84 -15.213 -2.603 5.911 1.00 70.13 H new ATOM 0 HA THR A 84 -14.540 -1.585 3.201 1.00 34.23 H new ATOM 0 HB THR A 84 -16.202 0.039 3.467 1.00 14.34 H new ATOM 0 HG1 THR A 84 -17.871 -0.258 5.093 1.00 63.13 H new ATOM 0 HG21 THR A 84 -18.251 -1.384 3.140 1.00 33.20 H new ATOM 0 HG22 THR A 84 -16.843 -2.031 2.264 1.00 33.20 H new ATOM 0 HG23 THR A 84 -17.358 -2.777 3.795 1.00 33.20 H new ATOM 1274 N VAL A 85 -13.615 0.539 4.433 1.00 25.04 N ATOM 1275 CA VAL A 85 -12.640 1.430 5.027 1.00 50.12 C ATOM 1276 C VAL A 85 -13.078 2.869 4.796 1.00 42.24 C ATOM 1277 O VAL A 85 -13.461 3.247 3.687 1.00 44.15 O ATOM 1278 CB VAL A 85 -11.238 1.124 4.475 1.00 62.34 C ATOM 1279 CG1 VAL A 85 -10.612 -0.143 5.065 1.00 4.31 C ATOM 1280 CG2 VAL A 85 -11.192 0.998 2.943 1.00 14.31 C ATOM 0 H VAL A 85 -13.967 0.856 3.530 1.00 25.04 H new ATOM 0 HA VAL A 85 -12.582 1.276 6.105 1.00 50.12 H new ATOM 0 HB VAL A 85 -10.658 1.994 4.784 1.00 62.34 H new ATOM 0 HG11 VAL A 85 -9.624 -0.297 4.631 1.00 4.31 H new ATOM 0 HG12 VAL A 85 -10.520 -0.034 6.146 1.00 4.31 H new ATOM 0 HG13 VAL A 85 -11.245 -1.001 4.839 1.00 4.31 H new ATOM 0 HG21 VAL A 85 -10.172 0.782 2.626 1.00 14.31 H new ATOM 0 HG22 VAL A 85 -11.850 0.189 2.625 1.00 14.31 H new ATOM 0 HG23 VAL A 85 -11.522 1.933 2.491 1.00 14.31 H new ATOM 1290 N SER A 86 -13.009 3.685 5.845 1.00 63.24 N ATOM 1291 CA SER A 86 -13.533 5.042 5.895 1.00 53.12 C ATOM 1292 C SER A 86 -12.605 6.052 5.198 1.00 73.13 C ATOM 1293 O SER A 86 -12.345 7.116 5.748 1.00 24.11 O ATOM 1294 CB SER A 86 -13.839 5.374 7.364 1.00 50.43 C ATOM 1295 OG SER A 86 -14.504 4.276 7.980 1.00 21.13 O ATOM 0 H SER A 86 -12.567 3.404 6.720 1.00 63.24 H new ATOM 0 HA SER A 86 -14.460 5.115 5.327 1.00 53.12 H new ATOM 0 HB2 SER A 86 -12.914 5.595 7.896 1.00 50.43 H new ATOM 0 HB3 SER A 86 -14.462 6.267 7.422 1.00 50.43 H new ATOM 0 HG SER A 86 -14.695 4.493 8.916 1.00 21.13 H new ATOM 1301 N GLY A 87 -12.110 5.688 4.004 1.00 62.23 N ATOM 1302 CA GLY A 87 -11.403 6.426 2.963 1.00 4.13 C ATOM 1303 C GLY A 87 -10.153 7.143 3.439 1.00 62.24 C ATOM 1304 O GLY A 87 -9.037 6.724 3.139 1.00 5.00 O ATOM 0 H GLY A 87 -12.219 4.717 3.711 1.00 62.23 H new ATOM 0 HA2 GLY A 87 -11.129 5.734 2.167 1.00 4.13 H new ATOM 0 HA3 GLY A 87 -12.083 7.158 2.528 1.00 4.13 H new ATOM 1308 N GLU A 88 -10.376 8.186 4.218 1.00 54.24 N ATOM 1309 CA GLU A 88 -9.416 8.849 5.080 1.00 43.15 C ATOM 1310 C GLU A 88 -8.681 7.782 5.883 1.00 53.51 C ATOM 1311 O GLU A 88 -7.471 7.661 5.763 1.00 45.32 O ATOM 1312 CB GLU A 88 -10.194 9.811 5.989 1.00 70.42 C ATOM 1313 CG GLU A 88 -9.337 10.631 6.964 1.00 63.11 C ATOM 1314 CD GLU A 88 -10.014 10.851 8.314 1.00 62.33 C ATOM 1315 OE1 GLU A 88 -10.507 9.882 8.920 1.00 11.33 O ATOM 1316 OE2 GLU A 88 -10.111 12.023 8.751 1.00 61.11 O ATOM 0 H GLU A 88 -11.297 8.622 4.268 1.00 54.24 H new ATOM 0 HA GLU A 88 -8.678 9.419 4.516 1.00 43.15 H new ATOM 0 HB2 GLU A 88 -10.760 10.499 5.362 1.00 70.42 H new ATOM 0 HB3 GLU A 88 -10.919 9.235 6.564 1.00 70.42 H new ATOM 0 HG2 GLU A 88 -8.386 10.122 7.120 1.00 63.11 H new ATOM 0 HG3 GLU A 88 -9.111 11.598 6.515 1.00 63.11 H new ATOM 1323 N ASP A 89 -9.420 6.955 6.623 1.00 30.00 N ATOM 1324 CA ASP A 89 -8.900 5.886 7.478 1.00 72.44 C ATOM 1325 C ASP A 89 -7.913 5.001 6.714 1.00 31.44 C ATOM 1326 O ASP A 89 -6.829 4.686 7.198 1.00 63.15 O ATOM 1327 CB ASP A 89 -10.100 5.067 7.959 1.00 30.23 C ATOM 1328 CG ASP A 89 -9.817 4.076 9.090 1.00 25.40 C ATOM 1329 OD1 ASP A 89 -8.652 3.687 9.317 1.00 5.43 O ATOM 1330 OD2 ASP A 89 -10.816 3.638 9.709 1.00 42.42 O ATOM 0 H ASP A 89 -10.438 7.013 6.644 1.00 30.00 H new ATOM 0 HA ASP A 89 -8.357 6.308 8.324 1.00 72.44 H new ATOM 0 HB2 ASP A 89 -10.877 5.756 8.290 1.00 30.23 H new ATOM 0 HB3 ASP A 89 -10.504 4.515 7.110 1.00 30.23 H new ATOM 1335 N SER A 90 -8.248 4.677 5.461 1.00 10.30 N ATOM 1336 CA SER A 90 -7.423 3.825 4.597 1.00 31.23 C ATOM 1337 C SER A 90 -6.212 4.538 3.958 1.00 5.43 C ATOM 1338 O SER A 90 -5.473 3.928 3.180 1.00 61.35 O ATOM 1339 CB SER A 90 -8.276 3.060 3.578 1.00 51.03 C ATOM 1340 OG SER A 90 -9.436 3.760 3.162 1.00 4.20 O ATOM 0 H SER A 90 -9.106 5.001 5.014 1.00 10.30 H new ATOM 0 HA SER A 90 -6.970 3.088 5.261 1.00 31.23 H new ATOM 0 HB2 SER A 90 -7.666 2.835 2.703 1.00 51.03 H new ATOM 0 HB3 SER A 90 -8.575 2.106 4.012 1.00 51.03 H new ATOM 0 HG SER A 90 -9.222 4.710 3.049 1.00 4.20 H new ATOM 1346 N TRP A 91 -5.996 5.811 4.280 1.00 51.32 N ATOM 1347 CA TRP A 91 -4.789 6.581 4.008 1.00 71.53 C ATOM 1348 C TRP A 91 -4.035 6.837 5.323 1.00 43.03 C ATOM 1349 O TRP A 91 -2.801 6.827 5.346 1.00 73.14 O ATOM 1350 CB TRP A 91 -5.221 7.876 3.292 1.00 71.41 C ATOM 1351 CG TRP A 91 -4.169 8.893 2.981 1.00 42.02 C ATOM 1352 CD1 TRP A 91 -3.609 9.138 1.773 1.00 13.42 C ATOM 1353 CD2 TRP A 91 -3.605 9.885 3.884 1.00 5.12 C ATOM 1354 NE1 TRP A 91 -2.732 10.197 1.876 1.00 24.32 N ATOM 1355 CE2 TRP A 91 -2.701 10.707 3.153 1.00 71.22 C ATOM 1356 CE3 TRP A 91 -3.786 10.185 5.248 1.00 33.44 C ATOM 1357 CZ2 TRP A 91 -2.015 11.774 3.746 1.00 25.50 C ATOM 1358 CZ3 TRP A 91 -3.092 11.238 5.859 1.00 41.43 C ATOM 1359 CH2 TRP A 91 -2.225 12.045 5.107 1.00 31.20 C ATOM 0 H TRP A 91 -6.702 6.364 4.767 1.00 51.32 H new ATOM 0 HA TRP A 91 -4.096 6.045 3.360 1.00 71.53 H new ATOM 0 HB2 TRP A 91 -5.701 7.595 2.354 1.00 71.41 H new ATOM 0 HB3 TRP A 91 -5.981 8.359 3.906 1.00 71.41 H new ATOM 0 HD1 TRP A 91 -3.817 8.588 0.867 1.00 13.42 H new ATOM 0 HE1 TRP A 91 -2.175 10.558 1.101 1.00 24.32 H new ATOM 0 HE3 TRP A 91 -4.473 9.592 5.834 1.00 33.44 H new ATOM 0 HZ2 TRP A 91 -1.335 12.379 3.165 1.00 25.50 H new ATOM 0 HZ3 TRP A 91 -3.225 11.429 6.914 1.00 41.43 H new ATOM 0 HH2 TRP A 91 -1.719 12.876 5.576 1.00 31.20 H new ATOM 1370 N LYS A 92 -4.761 7.053 6.425 1.00 34.31 N ATOM 1371 CA LYS A 92 -4.256 7.396 7.752 1.00 34.21 C ATOM 1372 C LYS A 92 -3.281 6.348 8.272 1.00 25.32 C ATOM 1373 O LYS A 92 -2.088 6.638 8.291 1.00 65.23 O ATOM 1374 CB LYS A 92 -5.436 7.602 8.704 1.00 25.00 C ATOM 1375 CG LYS A 92 -6.248 8.875 8.399 1.00 54.35 C ATOM 1376 CD LYS A 92 -5.641 10.185 8.884 1.00 21.13 C ATOM 1377 CE LYS A 92 -5.498 10.156 10.398 1.00 32.42 C ATOM 1378 NZ LYS A 92 -5.139 11.475 10.941 1.00 62.44 N ATOM 0 H LYS A 92 -5.779 6.988 6.410 1.00 34.31 H new ATOM 0 HA LYS A 92 -3.693 8.327 7.687 1.00 34.21 H new ATOM 0 HB2 LYS A 92 -6.096 6.736 8.647 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -5.064 7.653 9.727 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -6.391 8.941 7.321 1.00 54.35 H new ATOM 0 HG3 LYS A 92 -7.236 8.768 8.846 1.00 54.35 H new ATOM 0 HD2 LYS A 92 -4.667 10.339 8.420 1.00 21.13 H new ATOM 0 HD3 LYS A 92 -6.272 11.022 8.585 1.00 21.13 H new ATOM 0 HE2 LYS A 92 -6.435 9.822 10.845 1.00 32.42 H new ATOM 0 HE3 LYS A 92 -4.735 9.429 10.677 1.00 32.42 H new ATOM 0 HZ1 LYS A 92 -5.051 11.412 11.975 1.00 62.44 H new ATOM 0 HZ2 LYS A 92 -4.233 11.783 10.535 1.00 62.44 H new ATOM 0 HZ3 LYS A 92 -5.879 12.164 10.697 1.00 62.44 H new ATOM 1392 N THR A 93 -3.738 5.171 8.704 1.00 4.14 N ATOM 1393 CA THR A 93 -2.885 4.181 9.351 1.00 52.34 C ATOM 1394 C THR A 93 -1.710 3.819 8.437 1.00 71.01 C ATOM 1395 O THR A 93 -0.567 3.785 8.882 1.00 62.21 O ATOM 1396 CB THR A 93 -3.691 2.920 9.711 1.00 52.15 C ATOM 1397 OG1 THR A 93 -5.056 2.993 9.350 1.00 64.21 O ATOM 1398 CG2 THR A 93 -3.564 2.535 11.180 1.00 13.11 C ATOM 0 H THR A 93 -4.711 4.880 8.613 1.00 4.14 H new ATOM 0 HA THR A 93 -2.494 4.612 10.273 1.00 52.34 H new ATOM 0 HB THR A 93 -3.236 2.135 9.108 1.00 52.15 H new ATOM 0 HG1 THR A 93 -5.238 2.356 8.628 1.00 64.21 H new ATOM 0 HG21 THR A 93 -4.154 1.639 11.374 1.00 13.11 H new ATOM 0 HG22 THR A 93 -2.518 2.339 11.416 1.00 13.11 H new ATOM 0 HG23 THR A 93 -3.929 3.351 11.803 1.00 13.11 H new ATOM 1406 N LEU A 94 -1.982 3.611 7.146 1.00 31.12 N ATOM 1407 CA LEU A 94 -1.028 3.327 6.087 1.00 61.05 C ATOM 1408 C LEU A 94 0.122 4.324 6.160 1.00 5.22 C ATOM 1409 O LEU A 94 1.268 3.922 6.374 1.00 4.01 O ATOM 1410 CB LEU A 94 -1.801 3.354 4.749 1.00 11.14 C ATOM 1411 CG LEU A 94 -1.028 3.038 3.455 1.00 62.34 C ATOM 1412 CD1 LEU A 94 -2.029 3.002 2.291 1.00 23.20 C ATOM 1413 CD2 LEU A 94 0.042 4.071 3.093 1.00 52.21 C ATOM 0 H LEU A 94 -2.940 3.640 6.797 1.00 31.12 H new ATOM 0 HA LEU A 94 -0.572 2.342 6.188 1.00 61.05 H new ATOM 0 HB2 LEU A 94 -2.625 2.645 4.826 1.00 11.14 H new ATOM 0 HB3 LEU A 94 -2.242 4.345 4.640 1.00 11.14 H new ATOM 0 HG LEU A 94 -0.523 2.087 3.626 1.00 62.34 H new ATOM 0 HD11 LEU A 94 -1.501 2.779 1.364 1.00 23.20 H new ATOM 0 HD12 LEU A 94 -2.776 2.231 2.477 1.00 23.20 H new ATOM 0 HD13 LEU A 94 -2.521 3.971 2.205 1.00 23.20 H new ATOM 0 HD21 LEU A 94 0.538 3.773 2.170 1.00 52.21 H new ATOM 0 HD22 LEU A 94 -0.425 5.046 2.955 1.00 52.21 H new ATOM 0 HD23 LEU A 94 0.776 4.131 3.896 1.00 52.21 H new ATOM 1425 N THR A 95 -0.159 5.618 5.992 1.00 30.20 N ATOM 1426 CA THR A 95 0.892 6.625 6.018 1.00 72.53 C ATOM 1427 C THR A 95 1.547 6.681 7.409 1.00 53.33 C ATOM 1428 O THR A 95 2.778 6.762 7.503 1.00 70.15 O ATOM 1429 CB THR A 95 0.361 7.990 5.546 1.00 34.50 C ATOM 1430 OG1 THR A 95 -0.797 8.398 6.250 1.00 74.32 O ATOM 1431 CG2 THR A 95 0.041 8.037 4.044 1.00 64.14 C ATOM 0 H THR A 95 -1.098 5.986 5.838 1.00 30.20 H new ATOM 0 HA THR A 95 1.673 6.343 5.312 1.00 72.53 H new ATOM 0 HB THR A 95 1.183 8.675 5.755 1.00 34.50 H new ATOM 0 HG1 THR A 95 -1.585 7.964 5.863 1.00 74.32 H new ATOM 0 HG21 THR A 95 -0.328 9.028 3.782 1.00 64.14 H new ATOM 0 HG22 THR A 95 0.944 7.823 3.473 1.00 64.14 H new ATOM 0 HG23 THR A 95 -0.720 7.293 3.811 1.00 64.14 H new ATOM 1439 N SER A 96 0.756 6.573 8.482 1.00 52.21 N ATOM 1440 CA SER A 96 1.179 6.585 9.881 1.00 73.31 C ATOM 1441 C SER A 96 2.094 5.401 10.233 1.00 3.22 C ATOM 1442 O SER A 96 2.779 5.434 11.258 1.00 63.05 O ATOM 1443 CB SER A 96 -0.069 6.603 10.779 1.00 34.41 C ATOM 1444 OG SER A 96 0.235 7.065 12.082 1.00 62.32 O ATOM 0 H SER A 96 -0.254 6.469 8.389 1.00 52.21 H new ATOM 0 HA SER A 96 1.772 7.484 10.050 1.00 73.31 H new ATOM 0 HB2 SER A 96 -0.830 7.244 10.333 1.00 34.41 H new ATOM 0 HB3 SER A 96 -0.491 5.600 10.837 1.00 34.41 H new ATOM 0 HG SER A 96 1.105 6.710 12.360 1.00 62.32 H new ATOM 1450 N LYS A 97 2.196 4.380 9.380 1.00 3.13 N ATOM 1451 CA LYS A 97 3.047 3.216 9.601 1.00 51.54 C ATOM 1452 C LYS A 97 4.341 3.254 8.787 1.00 12.41 C ATOM 1453 O LYS A 97 5.237 2.462 9.082 1.00 70.21 O ATOM 1454 CB LYS A 97 2.218 1.963 9.278 1.00 53.12 C ATOM 1455 CG LYS A 97 1.222 1.604 10.393 1.00 21.32 C ATOM 1456 CD LYS A 97 1.924 1.053 11.642 1.00 14.50 C ATOM 1457 CE LYS A 97 1.534 1.871 12.876 1.00 72.33 C ATOM 1458 NZ LYS A 97 2.384 1.512 14.020 1.00 14.13 N ATOM 0 H LYS A 97 1.679 4.341 8.502 1.00 3.13 H new ATOM 0 HA LYS A 97 3.369 3.207 10.642 1.00 51.54 H new ATOM 0 HB2 LYS A 97 1.673 2.123 8.348 1.00 53.12 H new ATOM 0 HB3 LYS A 97 2.890 1.121 9.112 1.00 53.12 H new ATOM 0 HG2 LYS A 97 0.646 2.489 10.663 1.00 21.32 H new ATOM 0 HG3 LYS A 97 0.513 0.864 10.021 1.00 21.32 H new ATOM 0 HD2 LYS A 97 1.651 0.008 11.789 1.00 14.50 H new ATOM 0 HD3 LYS A 97 3.005 1.084 11.503 1.00 14.50 H new ATOM 0 HE2 LYS A 97 1.634 2.935 12.661 1.00 72.33 H new ATOM 0 HE3 LYS A 97 0.487 1.692 13.122 1.00 72.33 H new ATOM 0 HZ1 LYS A 97 2.238 2.196 14.789 1.00 14.13 H new ATOM 0 HZ2 LYS A 97 2.134 0.559 14.352 1.00 14.13 H new ATOM 0 HZ3 LYS A 97 3.382 1.527 13.729 1.00 14.13 H new ATOM 1472 N LEU A 98 4.472 4.132 7.785 1.00 52.25 N ATOM 1473 CA LEU A 98 5.599 4.095 6.846 1.00 12.41 C ATOM 1474 C LEU A 98 6.785 4.951 7.290 1.00 14.40 C ATOM 1475 O LEU A 98 7.935 4.547 7.096 1.00 25.20 O ATOM 1476 CB LEU A 98 5.153 4.558 5.451 1.00 70.11 C ATOM 1477 CG LEU A 98 4.293 3.542 4.679 1.00 71.42 C ATOM 1478 CD1 LEU A 98 3.748 4.215 3.415 1.00 52.41 C ATOM 1479 CD2 LEU A 98 5.084 2.290 4.283 1.00 63.35 C ATOM 0 H LEU A 98 3.805 4.882 7.603 1.00 52.25 H new ATOM 0 HA LEU A 98 5.930 3.057 6.820 1.00 12.41 H new ATOM 0 HB2 LEU A 98 4.590 5.486 5.554 1.00 70.11 H new ATOM 0 HB3 LEU A 98 6.039 4.787 4.859 1.00 70.11 H new ATOM 0 HG LEU A 98 3.482 3.223 5.334 1.00 71.42 H new ATOM 0 HD11 LEU A 98 3.136 3.504 2.859 1.00 52.41 H new ATOM 0 HD12 LEU A 98 3.140 5.076 3.694 1.00 52.41 H new ATOM 0 HD13 LEU A 98 4.579 4.544 2.791 1.00 52.41 H new ATOM 0 HD21 LEU A 98 4.433 1.604 3.741 1.00 63.35 H new ATOM 0 HD22 LEU A 98 5.921 2.575 3.646 1.00 63.35 H new ATOM 0 HD23 LEU A 98 5.461 1.799 5.180 1.00 63.35 H new ATOM 1491 N LYS A 99 6.548 6.146 7.846 1.00 70.23 N ATOM 1492 CA LYS A 99 7.624 7.027 8.302 1.00 13.22 C ATOM 1493 C LYS A 99 8.384 6.349 9.450 1.00 70.05 C ATOM 1494 O LYS A 99 9.579 6.570 9.590 1.00 63.41 O ATOM 1495 CB LYS A 99 7.044 8.392 8.729 1.00 22.02 C ATOM 1496 CG LYS A 99 7.957 9.614 8.531 1.00 65.23 C ATOM 1497 CD LYS A 99 9.339 9.458 9.167 1.00 70.01 C ATOM 1498 CE LYS A 99 10.054 10.801 9.282 1.00 10.12 C ATOM 1499 NZ LYS A 99 11.447 10.658 9.750 1.00 64.03 N ATOM 0 H LYS A 99 5.612 6.525 7.990 1.00 70.23 H new ATOM 0 HA LYS A 99 8.326 7.209 7.489 1.00 13.22 H new ATOM 0 HB2 LYS A 99 6.122 8.561 8.173 1.00 22.02 H new ATOM 0 HB3 LYS A 99 6.774 8.334 9.784 1.00 22.02 H new ATOM 0 HG2 LYS A 99 8.077 9.798 7.463 1.00 65.23 H new ATOM 0 HG3 LYS A 99 7.470 10.493 8.953 1.00 65.23 H new ATOM 0 HD2 LYS A 99 9.238 9.012 10.157 1.00 70.01 H new ATOM 0 HD3 LYS A 99 9.941 8.774 8.569 1.00 70.01 H new ATOM 0 HE2 LYS A 99 10.049 11.297 8.311 1.00 10.12 H new ATOM 0 HE3 LYS A 99 9.506 11.444 9.971 1.00 10.12 H new ATOM 0 HZ1 LYS A 99 11.890 11.597 9.812 1.00 64.03 H new ATOM 0 HZ2 LYS A 99 11.454 10.209 10.688 1.00 64.03 H new ATOM 0 HZ3 LYS A 99 11.979 10.067 9.080 1.00 64.03 H new ATOM 1513 N GLU A 100 7.745 5.451 10.201 1.00 54.24 N ATOM 1514 CA GLU A 100 8.370 4.604 11.209 1.00 30.44 C ATOM 1515 C GLU A 100 9.654 3.944 10.712 1.00 61.31 C ATOM 1516 O GLU A 100 10.600 3.754 11.479 1.00 34.13 O ATOM 1517 CB GLU A 100 7.432 3.487 11.629 1.00 4.10 C ATOM 1518 CG GLU A 100 6.236 3.922 12.477 1.00 10.22 C ATOM 1519 CD GLU A 100 5.897 2.819 13.478 1.00 53.53 C ATOM 1520 OE1 GLU A 100 6.620 2.736 14.507 1.00 14.20 O ATOM 1521 OE2 GLU A 100 4.985 2.007 13.209 1.00 2.42 O ATOM 0 H GLU A 100 6.741 5.290 10.118 1.00 54.24 H new ATOM 0 HA GLU A 100 8.602 5.266 12.044 1.00 30.44 H new ATOM 0 HB2 GLU A 100 7.060 2.991 10.733 1.00 4.10 H new ATOM 0 HB3 GLU A 100 8.003 2.746 12.189 1.00 4.10 H new ATOM 0 HG2 GLU A 100 6.467 4.848 13.004 1.00 10.22 H new ATOM 0 HG3 GLU A 100 5.377 4.125 11.837 1.00 10.22 H new ATOM 1528 N LYS A 101 9.668 3.558 9.433 1.00 30.44 N ATOM 1529 CA LYS A 101 10.780 2.868 8.795 1.00 41.44 C ATOM 1530 C LYS A 101 11.457 3.773 7.767 1.00 5.02 C ATOM 1531 O LYS A 101 12.250 3.295 6.958 1.00 13.00 O ATOM 1532 CB LYS A 101 10.307 1.520 8.232 1.00 13.24 C ATOM 1533 CG LYS A 101 9.672 0.621 9.309 1.00 10.54 C ATOM 1534 CD LYS A 101 10.563 0.354 10.530 1.00 45.35 C ATOM 1535 CE LYS A 101 9.870 -0.562 11.540 1.00 61.05 C ATOM 1536 NZ LYS A 101 10.511 -0.471 12.867 1.00 73.41 N ATOM 0 H LYS A 101 8.884 3.723 8.802 1.00 30.44 H new ATOM 0 HA LYS A 101 11.550 2.637 9.531 1.00 41.44 H new ATOM 0 HB2 LYS A 101 9.582 1.696 7.437 1.00 13.24 H new ATOM 0 HB3 LYS A 101 11.153 1.001 7.783 1.00 13.24 H new ATOM 0 HG2 LYS A 101 8.744 1.083 9.647 1.00 10.54 H new ATOM 0 HG3 LYS A 101 9.406 -0.334 8.855 1.00 10.54 H new ATOM 0 HD2 LYS A 101 11.499 -0.102 10.206 1.00 45.35 H new ATOM 0 HD3 LYS A 101 10.818 1.299 11.009 1.00 45.35 H new ATOM 0 HE2 LYS A 101 8.818 -0.289 11.621 1.00 61.05 H new ATOM 0 HE3 LYS A 101 9.905 -1.592 11.185 1.00 61.05 H new ATOM 0 HZ1 LYS A 101 10.021 -1.102 13.533 1.00 73.41 H new ATOM 0 HZ2 LYS A 101 11.509 -0.755 12.791 1.00 73.41 H new ATOM 0 HZ3 LYS A 101 10.455 0.508 13.213 1.00 73.41 H new ATOM 1550 N GLY A 102 11.155 5.074 7.787 1.00 3.41 N ATOM 1551 CA GLY A 102 11.670 6.088 6.876 1.00 72.14 C ATOM 1552 C GLY A 102 11.266 5.835 5.424 1.00 71.53 C ATOM 1553 O GLY A 102 12.036 6.139 4.513 1.00 42.25 O ATOM 0 H GLY A 102 10.512 5.464 8.476 1.00 3.41 H new ATOM 0 HA2 GLY A 102 11.305 7.067 7.185 1.00 72.14 H new ATOM 0 HA3 GLY A 102 12.757 6.116 6.947 1.00 72.14 H new ATOM 1557 N LEU A 103 10.078 5.260 5.200 1.00 12.32 N ATOM 1558 CA LEU A 103 9.589 4.835 3.888 1.00 41.45 C ATOM 1559 C LEU A 103 8.523 5.787 3.339 1.00 4.40 C ATOM 1560 O LEU A 103 7.719 5.386 2.493 1.00 13.23 O ATOM 1561 CB LEU A 103 9.102 3.377 3.932 1.00 62.14 C ATOM 1562 CG LEU A 103 10.168 2.369 4.395 1.00 3.12 C ATOM 1563 CD1 LEU A 103 9.601 0.954 4.355 1.00 52.45 C ATOM 1564 CD2 LEU A 103 11.448 2.388 3.551 1.00 5.13 C ATOM 0 H LEU A 103 9.413 5.073 5.951 1.00 12.32 H new ATOM 0 HA LEU A 103 10.425 4.879 3.190 1.00 41.45 H new ATOM 0 HB2 LEU A 103 8.243 3.313 4.600 1.00 62.14 H new ATOM 0 HB3 LEU A 103 8.755 3.092 2.939 1.00 62.14 H new ATOM 0 HG LEU A 103 10.434 2.670 5.409 1.00 3.12 H new ATOM 0 HD11 LEU A 103 10.363 0.247 4.684 1.00 52.45 H new ATOM 0 HD12 LEU A 103 8.736 0.890 5.016 1.00 52.45 H new ATOM 0 HD13 LEU A 103 9.298 0.712 3.336 1.00 52.45 H new ATOM 0 HD21 LEU A 103 12.151 1.651 3.939 1.00 5.13 H new ATOM 0 HD22 LEU A 103 11.205 2.148 2.516 1.00 5.13 H new ATOM 0 HD23 LEU A 103 11.900 3.379 3.597 1.00 5.13 H new ATOM 1576 N VAL A 104 8.522 7.036 3.811 1.00 64.34 N ATOM 1577 CA VAL A 104 7.988 8.196 3.101 1.00 24.43 C ATOM 1578 C VAL A 104 8.894 9.395 3.392 1.00 13.23 C ATOM 1579 O VAL A 104 9.592 9.405 4.415 1.00 63.23 O ATOM 1580 CB VAL A 104 6.533 8.516 3.507 1.00 43.35 C ATOM 1581 CG1 VAL A 104 5.517 7.498 2.982 1.00 70.31 C ATOM 1582 CG2 VAL A 104 6.335 8.654 5.027 1.00 50.43 C ATOM 0 H VAL A 104 8.905 7.273 4.726 1.00 64.34 H new ATOM 0 HA VAL A 104 7.971 7.973 2.034 1.00 24.43 H new ATOM 0 HB VAL A 104 6.348 9.481 3.036 1.00 43.35 H new ATOM 0 HG11 VAL A 104 4.516 7.784 3.304 1.00 70.31 H new ATOM 0 HG12 VAL A 104 5.555 7.475 1.893 1.00 70.31 H new ATOM 0 HG13 VAL A 104 5.756 6.510 3.375 1.00 70.31 H new ATOM 0 HG21 VAL A 104 5.290 8.879 5.239 1.00 50.43 H new ATOM 0 HG22 VAL A 104 6.612 7.720 5.516 1.00 50.43 H new ATOM 0 HG23 VAL A 104 6.963 9.461 5.404 1.00 50.43 H new ATOM 1592 N THR A 105 8.825 10.429 2.557 1.00 61.33 N ATOM 1593 CA THR A 105 9.505 11.698 2.771 1.00 54.42 C ATOM 1594 C THR A 105 8.474 12.789 3.090 1.00 43.14 C ATOM 1595 O THR A 105 7.282 12.656 2.799 1.00 4.32 O ATOM 1596 CB THR A 105 10.491 11.982 1.616 1.00 52.42 C ATOM 1597 OG1 THR A 105 9.871 12.033 0.356 1.00 2.32 O ATOM 1598 CG2 THR A 105 11.553 10.884 1.547 1.00 1.22 C ATOM 0 H THR A 105 8.282 10.404 1.694 1.00 61.33 H new ATOM 0 HA THR A 105 10.147 11.669 3.651 1.00 54.42 H new ATOM 0 HB THR A 105 10.925 12.958 1.835 1.00 52.42 H new ATOM 0 HG1 THR A 105 10.544 12.217 -0.332 1.00 2.32 H new ATOM 0 HG21 THR A 105 12.242 11.095 0.729 1.00 1.22 H new ATOM 0 HG22 THR A 105 12.104 10.851 2.487 1.00 1.22 H new ATOM 0 HG23 THR A 105 11.071 9.922 1.376 1.00 1.22 H new ATOM 1606 N ASP A 106 8.925 13.844 3.768 1.00 71.44 N ATOM 1607 CA ASP A 106 8.095 14.760 4.546 1.00 50.32 C ATOM 1608 C ASP A 106 7.422 15.801 3.655 1.00 61.52 C ATOM 1609 O ASP A 106 7.840 16.955 3.555 1.00 64.12 O ATOM 1610 CB ASP A 106 8.985 15.442 5.570 1.00 33.14 C ATOM 1611 CG ASP A 106 8.193 16.253 6.590 1.00 3.10 C ATOM 1612 OD1 ASP A 106 7.331 15.647 7.271 1.00 31.30 O ATOM 1613 OD2 ASP A 106 8.536 17.430 6.828 1.00 24.24 O ATOM 0 H ASP A 106 9.914 14.092 3.791 1.00 71.44 H new ATOM 0 HA ASP A 106 7.301 14.199 5.038 1.00 50.32 H new ATOM 0 HB2 ASP A 106 9.576 14.689 6.091 1.00 33.14 H new ATOM 0 HB3 ASP A 106 9.687 16.099 5.056 1.00 33.14 H new ATOM 1618 N GLY A 107 6.405 15.336 2.958 1.00 74.11 N ATOM 1619 CA GLY A 107 5.553 16.094 2.048 1.00 25.34 C ATOM 1620 C GLY A 107 5.067 15.295 0.842 1.00 64.13 C ATOM 1621 O GLY A 107 4.393 15.885 -0.001 1.00 12.04 O ATOM 0 H GLY A 107 6.129 14.355 3.012 1.00 74.11 H new ATOM 0 HA2 GLY A 107 4.688 16.463 2.599 1.00 25.34 H new ATOM 0 HA3 GLY A 107 6.102 16.967 1.695 1.00 25.34 H new ATOM 1625 N GLN A 108 5.372 13.993 0.724 1.00 52.41 N ATOM 1626 CA GLN A 108 4.877 13.198 -0.401 1.00 44.45 C ATOM 1627 C GLN A 108 3.353 13.186 -0.432 1.00 12.02 C ATOM 1628 O GLN A 108 2.694 13.093 0.607 1.00 10.10 O ATOM 1629 CB GLN A 108 5.409 11.759 -0.367 1.00 63.32 C ATOM 1630 CG GLN A 108 6.871 11.723 -0.806 1.00 54.22 C ATOM 1631 CD GLN A 108 7.431 10.306 -0.868 1.00 31.50 C ATOM 1632 OE1 GLN A 108 7.476 9.604 0.138 1.00 21.10 O ATOM 1633 NE2 GLN A 108 7.854 9.845 -2.036 1.00 5.11 N ATOM 0 H GLN A 108 5.952 13.478 1.386 1.00 52.41 H new ATOM 0 HA GLN A 108 5.248 13.673 -1.309 1.00 44.45 H new ATOM 0 HB2 GLN A 108 5.315 11.353 0.640 1.00 63.32 H new ATOM 0 HB3 GLN A 108 4.810 11.127 -1.023 1.00 63.32 H new ATOM 0 HG2 GLN A 108 6.963 12.189 -1.787 1.00 54.22 H new ATOM 0 HG3 GLN A 108 7.469 12.316 -0.114 1.00 54.22 H new ATOM 0 HE21 GLN A 108 7.811 10.439 -2.864 1.00 5.11 H new ATOM 0 HE22 GLN A 108 8.222 8.897 -2.107 1.00 5.11 H new ATOM 1642 N THR A 109 2.813 13.248 -1.642 1.00 65.41 N ATOM 1643 CA THR A 109 1.398 13.235 -1.947 1.00 1.34 C ATOM 1644 C THR A 109 1.053 11.788 -2.353 1.00 25.40 C ATOM 1645 O THR A 109 1.224 11.397 -3.507 1.00 34.23 O ATOM 1646 CB THR A 109 1.102 14.315 -3.025 1.00 62.15 C ATOM 1647 OG1 THR A 109 2.243 15.101 -3.351 1.00 12.23 O ATOM 1648 CG2 THR A 109 0.041 15.327 -2.601 1.00 23.44 C ATOM 0 H THR A 109 3.389 13.312 -2.482 1.00 65.41 H new ATOM 0 HA THR A 109 0.761 13.500 -1.103 1.00 1.34 H new ATOM 0 HB THR A 109 0.763 13.720 -3.873 1.00 62.15 H new ATOM 0 HG1 THR A 109 2.001 15.762 -4.033 1.00 12.23 H new ATOM 0 HG21 THR A 109 -0.113 16.050 -3.402 1.00 23.44 H new ATOM 0 HG22 THR A 109 -0.895 14.808 -2.395 1.00 23.44 H new ATOM 0 HG23 THR A 109 0.373 15.847 -1.702 1.00 23.44 H new ATOM 1656 N VAL A 110 0.658 10.955 -1.385 1.00 41.02 N ATOM 1657 CA VAL A 110 0.194 9.576 -1.559 1.00 25.10 C ATOM 1658 C VAL A 110 -1.297 9.590 -1.936 1.00 72.14 C ATOM 1659 O VAL A 110 -2.122 10.018 -1.126 1.00 25.31 O ATOM 1660 CB VAL A 110 0.449 8.781 -0.255 1.00 33.21 C ATOM 1661 CG1 VAL A 110 0.160 7.286 -0.460 1.00 32.20 C ATOM 1662 CG2 VAL A 110 1.894 8.940 0.257 1.00 53.15 C ATOM 0 H VAL A 110 0.653 11.241 -0.406 1.00 41.02 H new ATOM 0 HA VAL A 110 0.742 9.085 -2.363 1.00 25.10 H new ATOM 0 HB VAL A 110 -0.229 9.194 0.491 1.00 33.21 H new ATOM 0 HG11 VAL A 110 0.346 6.749 0.470 1.00 32.20 H new ATOM 0 HG12 VAL A 110 -0.881 7.154 -0.753 1.00 32.20 H new ATOM 0 HG13 VAL A 110 0.810 6.894 -1.242 1.00 32.20 H new ATOM 0 HG21 VAL A 110 2.021 8.363 1.173 1.00 53.15 H new ATOM 0 HG22 VAL A 110 2.590 8.577 -0.499 1.00 53.15 H new ATOM 0 HG23 VAL A 110 2.094 9.992 0.460 1.00 53.15 H new ATOM 1672 N THR A 111 -1.660 9.136 -3.136 1.00 74.33 N ATOM 1673 CA THR A 111 -3.026 9.209 -3.657 1.00 70.32 C ATOM 1674 C THR A 111 -3.612 7.796 -3.817 1.00 21.10 C ATOM 1675 O THR A 111 -2.995 6.923 -4.436 1.00 51.35 O ATOM 1676 CB THR A 111 -2.986 9.916 -5.018 1.00 51.12 C ATOM 1677 OG1 THR A 111 -2.327 11.152 -4.866 1.00 50.35 O ATOM 1678 CG2 THR A 111 -4.386 10.176 -5.578 1.00 5.32 C ATOM 0 H THR A 111 -1.003 8.700 -3.784 1.00 74.33 H new ATOM 0 HA THR A 111 -3.658 9.764 -2.963 1.00 70.32 H new ATOM 0 HB THR A 111 -2.460 9.265 -5.716 1.00 51.12 H new ATOM 0 HG1 THR A 111 -2.293 11.613 -5.730 1.00 50.35 H new ATOM 0 HG21 THR A 111 -4.305 10.678 -6.542 1.00 5.32 H new ATOM 0 HG22 THR A 111 -4.909 9.228 -5.705 1.00 5.32 H new ATOM 0 HG23 THR A 111 -4.943 10.807 -4.886 1.00 5.32 H new ATOM 1686 N ILE A 112 -4.828 7.552 -3.321 1.00 4.03 N ATOM 1687 CA ILE A 112 -5.444 6.216 -3.252 1.00 51.35 C ATOM 1688 C ILE A 112 -6.777 6.292 -3.978 1.00 70.31 C ATOM 1689 O ILE A 112 -7.609 7.098 -3.573 1.00 61.32 O ATOM 1690 CB ILE A 112 -5.691 5.773 -1.789 1.00 5.13 C ATOM 1691 CG1 ILE A 112 -4.645 6.382 -0.837 1.00 74.52 C ATOM 1692 CG2 ILE A 112 -5.823 4.246 -1.695 1.00 22.31 C ATOM 1693 CD1 ILE A 112 -4.584 5.749 0.551 1.00 45.33 C ATOM 0 H ILE A 112 -5.427 8.289 -2.948 1.00 4.03 H new ATOM 0 HA ILE A 112 -4.773 5.488 -3.708 1.00 51.35 H new ATOM 0 HB ILE A 112 -6.648 6.171 -1.452 1.00 5.13 H new ATOM 0 HG12 ILE A 112 -3.662 6.298 -1.301 1.00 74.52 H new ATOM 0 HG13 ILE A 112 -4.855 7.446 -0.725 1.00 74.52 H new ATOM 0 HG21 ILE A 112 -5.996 3.959 -0.658 1.00 22.31 H new ATOM 0 HG22 ILE A 112 -6.661 3.915 -2.308 1.00 22.31 H new ATOM 0 HG23 ILE A 112 -4.905 3.779 -2.053 1.00 22.31 H new ATOM 0 HD11 ILE A 112 -3.818 6.247 1.145 1.00 45.33 H new ATOM 0 HD12 ILE A 112 -5.551 5.856 1.043 1.00 45.33 H new ATOM 0 HD13 ILE A 112 -4.340 4.691 0.458 1.00 45.33 H new ATOM 1705 N HIS A 113 -7.007 5.475 -5.003 1.00 23.40 N ATOM 1706 CA HIS A 113 -8.307 5.405 -5.672 1.00 62.12 C ATOM 1707 C HIS A 113 -9.174 4.334 -5.011 1.00 32.52 C ATOM 1708 O HIS A 113 -8.652 3.430 -4.349 1.00 24.42 O ATOM 1709 CB HIS A 113 -8.123 5.138 -7.177 1.00 53.02 C ATOM 1710 CG HIS A 113 -7.890 6.407 -7.958 1.00 3.22 C ATOM 1711 ND1 HIS A 113 -6.737 7.158 -7.977 1.00 63.54 N ATOM 1712 CD2 HIS A 113 -8.808 7.045 -8.747 1.00 72.51 C ATOM 1713 CE1 HIS A 113 -6.949 8.223 -8.766 1.00 31.10 C ATOM 1714 NE2 HIS A 113 -8.203 8.199 -9.256 1.00 30.20 N ATOM 0 H HIS A 113 -6.304 4.846 -5.392 1.00 23.40 H new ATOM 0 HA HIS A 113 -8.817 6.363 -5.570 1.00 62.12 H new ATOM 0 HB2 HIS A 113 -7.280 4.463 -7.324 1.00 53.02 H new ATOM 0 HB3 HIS A 113 -9.007 4.632 -7.565 1.00 53.02 H new ATOM 0 HD2 HIS A 113 -9.818 6.717 -8.942 1.00 72.51 H new ATOM 0 HE1 HIS A 113 -6.218 8.990 -8.978 1.00 31.10 H new ATOM 0 HE2 HIS A 113 -8.628 8.887 -9.877 1.00 30.20 H new ATOM 1722 N CYS A 114 -10.474 4.331 -5.301 1.00 24.13 N ATOM 1723 CA CYS A 114 -11.389 3.222 -5.105 1.00 70.14 C ATOM 1724 C CYS A 114 -12.148 3.012 -6.418 1.00 1.43 C ATOM 1725 O CYS A 114 -12.475 3.980 -7.109 1.00 13.44 O ATOM 1726 CB CYS A 114 -12.317 3.537 -3.928 1.00 50.35 C ATOM 1727 SG CYS A 114 -13.099 5.157 -4.126 1.00 1.44 S ATOM 0 H CYS A 114 -10.936 5.148 -5.700 1.00 24.13 H new ATOM 0 HA CYS A 114 -10.866 2.298 -4.856 1.00 70.14 H new ATOM 0 HB2 CYS A 114 -13.084 2.767 -3.850 1.00 50.35 H new ATOM 0 HB3 CYS A 114 -11.749 3.516 -2.998 1.00 50.35 H new ATOM 0 HG CYS A 114 -13.797 5.435 -3.065 1.00 1.44 H new ATOM 1733 N ASN A 115 -12.388 1.752 -6.787 1.00 65.43 N ATOM 1734 CA ASN A 115 -12.821 1.374 -8.130 1.00 71.23 C ATOM 1735 C ASN A 115 -14.149 0.615 -8.043 1.00 63.31 C ATOM 1736 O ASN A 115 -14.264 -0.469 -8.628 1.00 34.31 O ATOM 1737 CB ASN A 115 -11.747 0.514 -8.833 1.00 2.24 C ATOM 1738 CG ASN A 115 -10.356 1.123 -8.893 1.00 73.22 C ATOM 1739 OD1 ASN A 115 -10.167 2.337 -8.891 1.00 23.21 O ATOM 1740 ND2 ASN A 115 -9.338 0.286 -8.908 1.00 1.01 N ATOM 0 H ASN A 115 -12.286 0.959 -6.154 1.00 65.43 H new ATOM 0 HA ASN A 115 -12.963 2.277 -8.723 1.00 71.23 H new ATOM 0 HB2 ASN A 115 -11.682 -0.446 -8.320 1.00 2.24 H new ATOM 0 HB3 ASN A 115 -12.079 0.310 -9.851 1.00 2.24 H new ATOM 0 HD21 ASN A 115 -8.383 0.644 -8.918 1.00 1.01 H new ATOM 0 HD22 ASN A 115 -9.505 -0.720 -8.910 1.00 1.01 H new ATOM 1747 N ASP A 116 -15.119 1.089 -7.252 1.00 54.02 N ATOM 1748 CA ASP A 116 -16.217 0.258 -6.786 1.00 11.04 C ATOM 1749 C ASP A 116 -17.055 -0.173 -7.984 1.00 51.22 C ATOM 1750 O ASP A 116 -17.562 0.662 -8.738 1.00 31.21 O ATOM 1751 CB ASP A 116 -17.052 0.962 -5.707 1.00 54.14 C ATOM 1752 CG ASP A 116 -16.387 1.056 -4.333 1.00 43.25 C ATOM 1753 OD1 ASP A 116 -15.660 2.047 -4.100 1.00 30.54 O ATOM 1754 OD2 ASP A 116 -16.664 0.174 -3.488 1.00 74.25 O ATOM 0 H ASP A 116 -15.158 2.054 -6.923 1.00 54.02 H new ATOM 0 HA ASP A 116 -15.814 -0.633 -6.305 1.00 11.04 H new ATOM 0 HB2 ASP A 116 -17.286 1.970 -6.050 1.00 54.14 H new ATOM 0 HB3 ASP A 116 -17.999 0.434 -5.600 1.00 54.14 H new ATOM 1759 N LYS A 117 -17.202 -1.481 -8.191 1.00 70.35 N ATOM 1760 CA LYS A 117 -17.970 -2.037 -9.302 1.00 5.02 C ATOM 1761 C LYS A 117 -19.218 -2.687 -8.718 1.00 25.52 C ATOM 1762 O LYS A 117 -19.413 -3.898 -8.824 1.00 64.15 O ATOM 1763 CB LYS A 117 -17.071 -2.968 -10.149 1.00 12.44 C ATOM 1764 CG LYS A 117 -17.549 -3.109 -11.602 1.00 33.33 C ATOM 1765 CD LYS A 117 -17.209 -1.871 -12.446 1.00 34.30 C ATOM 1766 CE LYS A 117 -17.760 -1.953 -13.872 1.00 44.31 C ATOM 1767 NZ LYS A 117 -19.208 -1.704 -13.923 1.00 33.31 N ATOM 0 H LYS A 117 -16.787 -2.190 -7.586 1.00 70.35 H new ATOM 0 HA LYS A 117 -18.309 -1.275 -10.004 1.00 5.02 H new ATOM 0 HB2 LYS A 117 -16.052 -2.582 -10.144 1.00 12.44 H new ATOM 0 HB3 LYS A 117 -17.041 -3.954 -9.685 1.00 12.44 H new ATOM 0 HG2 LYS A 117 -17.090 -3.990 -12.050 1.00 33.33 H new ATOM 0 HG3 LYS A 117 -18.627 -3.271 -11.614 1.00 33.33 H new ATOM 0 HD2 LYS A 117 -17.610 -0.983 -11.957 1.00 34.30 H new ATOM 0 HD3 LYS A 117 -16.126 -1.751 -12.486 1.00 34.30 H new ATOM 0 HE2 LYS A 117 -17.246 -1.226 -14.501 1.00 44.31 H new ATOM 0 HE3 LYS A 117 -17.548 -2.939 -14.286 1.00 44.31 H new ATOM 0 HZ1 LYS A 117 -19.537 -1.770 -14.907 1.00 33.31 H new ATOM 0 HZ2 LYS A 117 -19.703 -2.413 -13.345 1.00 33.31 H new ATOM 0 HZ3 LYS A 117 -19.410 -0.753 -13.553 1.00 33.31 H new ATOM 1781 N SER A 118 -20.040 -1.881 -8.047 1.00 65.25 N ATOM 1782 CA SER A 118 -21.286 -2.316 -7.442 1.00 34.42 C ATOM 1783 C SER A 118 -22.403 -1.416 -7.953 1.00 25.34 C ATOM 1784 O SER A 118 -23.321 -1.889 -8.613 1.00 52.35 O ATOM 1785 CB SER A 118 -21.135 -2.326 -5.912 1.00 10.24 C ATOM 1786 OG SER A 118 -22.292 -2.817 -5.252 1.00 2.03 O ATOM 0 H SER A 118 -19.849 -0.889 -7.909 1.00 65.25 H new ATOM 0 HA SER A 118 -21.543 -3.337 -7.723 1.00 34.42 H new ATOM 0 HB2 SER A 118 -20.277 -2.941 -5.639 1.00 10.24 H new ATOM 0 HB3 SER A 118 -20.925 -1.314 -5.565 1.00 10.24 H new ATOM 0 HG SER A 118 -22.993 -2.133 -5.269 1.00 2.03 H new ATOM 1792 N ASP A 119 -22.313 -0.114 -7.701 1.00 63.15 N ATOM 1793 CA ASP A 119 -23.407 0.843 -7.871 1.00 23.23 C ATOM 1794 C ASP A 119 -22.949 2.042 -8.689 1.00 50.05 C ATOM 1795 O ASP A 119 -23.547 3.113 -8.641 1.00 14.43 O ATOM 1796 CB ASP A 119 -23.978 1.238 -6.515 1.00 3.11 C ATOM 1797 CG ASP A 119 -24.476 0.016 -5.755 1.00 74.43 C ATOM 1798 OD1 ASP A 119 -25.628 -0.402 -6.018 1.00 61.43 O ATOM 1799 OD2 ASP A 119 -23.695 -0.532 -4.938 1.00 52.35 O ATOM 0 H ASP A 119 -21.454 0.319 -7.363 1.00 63.15 H new ATOM 0 HA ASP A 119 -24.214 0.372 -8.433 1.00 23.23 H new ATOM 0 HB2 ASP A 119 -23.213 1.748 -5.929 1.00 3.11 H new ATOM 0 HB3 ASP A 119 -24.797 1.944 -6.653 1.00 3.11 H new ATOM 1804 N ASN A 120 -21.884 1.838 -9.466 1.00 4.41 N ATOM 1805 CA ASN A 120 -21.274 2.756 -10.395 1.00 2.12 C ATOM 1806 C ASN A 120 -20.701 3.948 -9.642 1.00 12.00 C ATOM 1807 O ASN A 120 -21.172 5.074 -9.791 1.00 4.11 O ATOM 1808 CB ASN A 120 -22.253 3.146 -11.503 1.00 64.44 C ATOM 1809 CG ASN A 120 -22.874 1.948 -12.192 1.00 33.21 C ATOM 1810 OD1 ASN A 120 -22.193 1.202 -12.891 1.00 22.54 O ATOM 1811 ND2 ASN A 120 -24.147 1.687 -11.982 1.00 64.42 N ATOM 0 H ASN A 120 -21.393 0.944 -9.450 1.00 4.41 H new ATOM 0 HA ASN A 120 -20.439 2.268 -10.899 1.00 2.12 H new ATOM 0 HB2 ASN A 120 -23.044 3.765 -11.080 1.00 64.44 H new ATOM 0 HB3 ASN A 120 -21.733 3.754 -12.243 1.00 64.44 H new ATOM 0 HD21 ASN A 120 -24.574 0.861 -12.401 1.00 64.42 H new ATOM 0 HD22 ASN A 120 -24.706 2.311 -11.400 1.00 64.42 H new ATOM 1818 N THR A 121 -19.670 3.712 -8.833 1.00 22.10 N ATOM 1819 CA THR A 121 -19.023 4.717 -8.002 1.00 50.15 C ATOM 1820 C THR A 121 -17.512 4.489 -8.033 1.00 34.21 C ATOM 1821 O THR A 121 -17.070 3.348 -7.982 1.00 32.32 O ATOM 1822 CB THR A 121 -19.637 4.686 -6.585 1.00 45.21 C ATOM 1823 OG1 THR A 121 -19.419 3.457 -5.924 1.00 31.13 O ATOM 1824 CG2 THR A 121 -21.151 4.916 -6.577 1.00 1.04 C ATOM 0 H THR A 121 -19.251 2.787 -8.737 1.00 22.10 H new ATOM 0 HA THR A 121 -19.195 5.723 -8.384 1.00 50.15 H new ATOM 0 HB THR A 121 -19.129 5.500 -6.068 1.00 45.21 H new ATOM 0 HG1 THR A 121 -19.825 3.489 -5.032 1.00 31.13 H new ATOM 0 HG21 THR A 121 -21.519 4.882 -5.551 1.00 1.04 H new ATOM 0 HG22 THR A 121 -21.373 5.891 -7.010 1.00 1.04 H new ATOM 0 HG23 THR A 121 -21.640 4.139 -7.164 1.00 1.04 H new ATOM 1832 N LYS A 122 -16.712 5.549 -8.144 1.00 45.32 N ATOM 1833 CA LYS A 122 -15.259 5.524 -7.973 1.00 72.34 C ATOM 1834 C LYS A 122 -14.867 6.857 -7.352 1.00 2.30 C ATOM 1835 O LYS A 122 -15.610 7.831 -7.498 1.00 14.32 O ATOM 1836 CB LYS A 122 -14.532 5.319 -9.318 1.00 43.04 C ATOM 1837 CG LYS A 122 -14.852 3.957 -9.956 1.00 31.34 C ATOM 1838 CD LYS A 122 -13.902 3.549 -11.087 1.00 13.33 C ATOM 1839 CE LYS A 122 -14.130 4.466 -12.286 1.00 25.44 C ATOM 1840 NZ LYS A 122 -13.433 4.009 -13.500 1.00 43.43 N ATOM 0 H LYS A 122 -17.069 6.479 -8.363 1.00 45.32 H new ATOM 0 HA LYS A 122 -14.969 4.689 -7.335 1.00 72.34 H new ATOM 0 HB2 LYS A 122 -14.816 6.115 -10.006 1.00 43.04 H new ATOM 0 HB3 LYS A 122 -13.456 5.400 -9.162 1.00 43.04 H new ATOM 0 HG2 LYS A 122 -14.825 3.191 -9.181 1.00 31.34 H new ATOM 0 HG3 LYS A 122 -15.870 3.982 -10.344 1.00 31.34 H new ATOM 0 HD2 LYS A 122 -12.867 3.618 -10.752 1.00 13.33 H new ATOM 0 HD3 LYS A 122 -14.077 2.511 -11.369 1.00 13.33 H new ATOM 0 HE2 LYS A 122 -15.199 4.530 -12.490 1.00 25.44 H new ATOM 0 HE3 LYS A 122 -13.792 5.472 -12.037 1.00 25.44 H new ATOM 0 HZ1 LYS A 122 -13.624 4.670 -14.280 1.00 43.43 H new ATOM 0 HZ2 LYS A 122 -12.409 3.973 -13.320 1.00 43.43 H new ATOM 0 HZ3 LYS A 122 -13.772 3.061 -13.759 1.00 43.43 H new ATOM 1854 N SER A 123 -13.720 6.935 -6.687 1.00 71.23 N ATOM 1855 CA SER A 123 -13.207 8.164 -6.094 1.00 44.25 C ATOM 1856 C SER A 123 -11.697 8.038 -5.892 1.00 43.23 C ATOM 1857 O SER A 123 -11.079 7.091 -6.392 1.00 44.33 O ATOM 1858 CB SER A 123 -13.947 8.484 -4.787 1.00 72.45 C ATOM 1859 OG SER A 123 -13.819 9.860 -4.479 1.00 74.52 O ATOM 0 H SER A 123 -13.109 6.131 -6.542 1.00 71.23 H new ATOM 0 HA SER A 123 -13.387 9.002 -6.768 1.00 44.25 H new ATOM 0 HB2 SER A 123 -15.001 8.221 -4.883 1.00 72.45 H new ATOM 0 HB3 SER A 123 -13.541 7.882 -3.974 1.00 72.45 H new ATOM 0 HG SER A 123 -14.296 10.054 -3.645 1.00 74.52 H new ATOM 1865 N SER A 124 -11.109 9.013 -5.201 1.00 54.05 N ATOM 1866 CA SER A 124 -9.757 8.958 -4.686 1.00 3.04 C ATOM 1867 C SER A 124 -9.655 9.733 -3.365 1.00 11.32 C ATOM 1868 O SER A 124 -10.538 10.549 -3.074 1.00 5.22 O ATOM 1869 CB SER A 124 -8.785 9.469 -5.753 1.00 34.33 C ATOM 1870 OG SER A 124 -9.144 10.765 -6.195 1.00 31.12 O ATOM 0 H SER A 124 -11.583 9.889 -4.981 1.00 54.05 H new ATOM 0 HA SER A 124 -9.484 7.927 -4.460 1.00 3.04 H new ATOM 0 HB2 SER A 124 -7.773 9.488 -5.348 1.00 34.33 H new ATOM 0 HB3 SER A 124 -8.777 8.783 -6.600 1.00 34.33 H new ATOM 0 HG SER A 124 -8.506 11.067 -6.874 1.00 31.12 H new ATOM 1876 N VAL A 125 -8.573 9.561 -2.592 1.00 74.31 N ATOM 1877 CA VAL A 125 -8.250 10.435 -1.473 1.00 23.40 C ATOM 1878 C VAL A 125 -6.795 10.878 -1.609 1.00 65.53 C ATOM 1879 O VAL A 125 -5.988 10.146 -2.200 1.00 45.41 O ATOM 1880 CB VAL A 125 -8.563 9.756 -0.118 1.00 52.04 C ATOM 1881 CG1 VAL A 125 -9.965 9.137 -0.051 1.00 3.03 C ATOM 1882 CG2 VAL A 125 -7.569 8.659 0.285 1.00 33.40 C ATOM 0 H VAL A 125 -7.900 8.807 -2.732 1.00 74.31 H new ATOM 0 HA VAL A 125 -8.879 11.325 -1.494 1.00 23.40 H new ATOM 0 HB VAL A 125 -8.485 10.590 0.580 1.00 52.04 H new ATOM 0 HG11 VAL A 125 -10.114 8.679 0.927 1.00 3.03 H new ATOM 0 HG12 VAL A 125 -10.714 9.914 -0.206 1.00 3.03 H new ATOM 0 HG13 VAL A 125 -10.065 8.377 -0.826 1.00 3.03 H new ATOM 0 HG21 VAL A 125 -7.863 8.237 1.246 1.00 33.40 H new ATOM 0 HG22 VAL A 125 -7.567 7.874 -0.471 1.00 33.40 H new ATOM 0 HG23 VAL A 125 -6.569 9.086 0.367 1.00 33.40 H new ATOM 1892 N SER A 126 -6.458 12.050 -1.064 1.00 44.02 N ATOM 1893 CA SER A 126 -5.094 12.567 -1.099 1.00 65.12 C ATOM 1894 C SER A 126 -4.821 13.668 -0.061 1.00 24.54 C ATOM 1895 O SER A 126 -5.679 14.477 0.310 1.00 54.13 O ATOM 1896 CB SER A 126 -4.733 13.052 -2.511 1.00 64.23 C ATOM 1897 OG SER A 126 -5.798 13.631 -3.234 1.00 5.03 O ATOM 0 H SER A 126 -7.122 12.662 -0.589 1.00 44.02 H new ATOM 0 HA SER A 126 -4.450 11.731 -0.827 1.00 65.12 H new ATOM 0 HB2 SER A 126 -3.927 13.782 -2.433 1.00 64.23 H new ATOM 0 HB3 SER A 126 -4.344 12.208 -3.080 1.00 64.23 H new ATOM 0 HG SER A 126 -5.479 13.912 -4.117 1.00 5.03 H new ATOM 1903 N GLY A 127 -3.568 13.698 0.385 1.00 34.24 N ATOM 1904 CA GLY A 127 -3.050 14.540 1.465 1.00 45.33 C ATOM 1905 C GLY A 127 -1.563 14.881 1.264 1.00 72.22 C ATOM 1906 O GLY A 127 -1.091 14.845 0.129 1.00 52.15 O ATOM 0 H GLY A 127 -2.845 13.103 -0.019 1.00 34.24 H new ATOM 0 HA2 GLY A 127 -3.630 15.461 1.517 1.00 45.33 H new ATOM 0 HA3 GLY A 127 -3.179 14.028 2.418 1.00 45.33 H new ATOM 1910 N LYS A 128 -0.812 15.168 2.331 1.00 3.00 N ATOM 1911 CA LYS A 128 0.647 15.133 2.425 1.00 43.04 C ATOM 1912 C LYS A 128 1.037 14.359 3.672 1.00 73.31 C ATOM 1913 O LYS A 128 0.280 14.311 4.642 1.00 25.31 O ATOM 1914 CB LYS A 128 1.263 16.537 2.570 1.00 12.23 C ATOM 1915 CG LYS A 128 1.617 17.186 1.234 1.00 12.22 C ATOM 1916 CD LYS A 128 0.570 18.090 0.588 1.00 62.55 C ATOM 1917 CE LYS A 128 0.314 19.445 1.264 1.00 72.21 C ATOM 1918 NZ LYS A 128 -0.442 19.339 2.526 1.00 54.01 N ATOM 0 H LYS A 128 -1.239 15.451 3.213 1.00 3.00 H new ATOM 0 HA LYS A 128 1.015 14.674 1.507 1.00 43.04 H new ATOM 0 HB2 LYS A 128 0.562 17.180 3.103 1.00 12.23 H new ATOM 0 HB3 LYS A 128 2.162 16.469 3.182 1.00 12.23 H new ATOM 0 HG2 LYS A 128 2.525 17.772 1.375 1.00 12.22 H new ATOM 0 HG3 LYS A 128 1.857 16.391 0.527 1.00 12.22 H new ATOM 0 HD2 LYS A 128 0.871 18.276 -0.443 1.00 62.55 H new ATOM 0 HD3 LYS A 128 -0.373 17.545 0.551 1.00 62.55 H new ATOM 0 HE2 LYS A 128 1.270 19.930 1.462 1.00 72.21 H new ATOM 0 HE3 LYS A 128 -0.233 20.088 0.575 1.00 72.21 H new ATOM 0 HZ1 LYS A 128 -1.044 20.179 2.642 1.00 54.01 H new ATOM 0 HZ2 LYS A 128 -1.037 18.487 2.503 1.00 54.01 H new ATOM 0 HZ3 LYS A 128 0.222 19.277 3.324 1.00 54.01 H new ATOM 1932 N VAL A 129 2.265 13.849 3.690 1.00 14.13 N ATOM 1933 CA VAL A 129 2.875 13.287 4.883 1.00 10.13 C ATOM 1934 C VAL A 129 2.933 14.337 5.988 1.00 11.04 C ATOM 1935 O VAL A 129 3.724 15.276 5.930 1.00 63.33 O ATOM 1936 CB VAL A 129 4.237 12.656 4.536 1.00 64.35 C ATOM 1937 CG1 VAL A 129 4.979 12.100 5.760 1.00 24.22 C ATOM 1938 CG2 VAL A 129 4.057 11.507 3.531 1.00 51.33 C ATOM 0 H VAL A 129 2.867 13.816 2.867 1.00 14.13 H new ATOM 0 HA VAL A 129 2.262 12.475 5.276 1.00 10.13 H new ATOM 0 HB VAL A 129 4.834 13.463 4.111 1.00 64.35 H new ATOM 0 HG11 VAL A 129 5.930 11.670 5.445 1.00 24.22 H new ATOM 0 HG12 VAL A 129 5.163 12.905 6.471 1.00 24.22 H new ATOM 0 HG13 VAL A 129 4.372 11.329 6.234 1.00 24.22 H new ATOM 0 HG21 VAL A 129 5.029 11.073 3.297 1.00 51.33 H new ATOM 0 HG22 VAL A 129 3.413 10.742 3.964 1.00 51.33 H new ATOM 0 HG23 VAL A 129 3.602 11.890 2.618 1.00 51.33 H new ATOM 1948 N GLY A 130 2.065 14.155 6.982 1.00 24.12 N ATOM 1949 CA GLY A 130 2.003 14.899 8.225 1.00 24.22 C ATOM 1950 C GLY A 130 0.700 15.660 8.381 1.00 24.11 C ATOM 1951 O GLY A 130 0.229 15.805 9.509 1.00 32.14 O ATOM 0 H GLY A 130 1.343 13.436 6.931 1.00 24.12 H new ATOM 0 HA2 GLY A 130 2.121 14.212 9.063 1.00 24.22 H new ATOM 0 HA3 GLY A 130 2.837 15.600 8.267 1.00 24.22 H new ATOM 1955 N ALA A 131 0.090 16.089 7.276 1.00 5.41 N ATOM 1956 CA ALA A 131 -1.161 16.843 7.348 1.00 22.13 C ATOM 1957 C ALA A 131 -2.349 15.888 7.405 1.00 14.41 C ATOM 1958 O ALA A 131 -2.201 14.669 7.278 1.00 62.32 O ATOM 1959 CB ALA A 131 -1.287 17.801 6.158 1.00 10.14 C ATOM 0 H ALA A 131 0.437 15.930 6.330 1.00 5.41 H new ATOM 0 HA ALA A 131 -1.154 17.441 8.260 1.00 22.13 H new ATOM 0 HB1 ALA A 131 -2.225 18.352 6.232 1.00 10.14 H new ATOM 0 HB2 ALA A 131 -0.453 18.503 6.166 1.00 10.14 H new ATOM 0 HB3 ALA A 131 -1.273 17.231 5.229 1.00 10.14 H new ATOM 1965 N ASP A 132 -3.558 16.441 7.479 1.00 25.34 N ATOM 1966 CA ASP A 132 -4.773 15.706 7.158 1.00 65.05 C ATOM 1967 C ASP A 132 -5.216 16.008 5.736 1.00 31.14 C ATOM 1968 O ASP A 132 -4.568 16.771 5.016 1.00 25.14 O ATOM 1969 CB ASP A 132 -5.882 15.991 8.157 1.00 70.21 C ATOM 1970 CG ASP A 132 -6.798 14.783 8.260 1.00 4.51 C ATOM 1971 OD1 ASP A 132 -6.308 13.689 8.601 1.00 31.23 O ATOM 1972 OD2 ASP A 132 -8.006 14.922 7.980 1.00 25.01 O ATOM 0 H ASP A 132 -3.719 17.407 7.762 1.00 25.34 H new ATOM 0 HA ASP A 132 -4.550 14.641 7.227 1.00 65.05 H new ATOM 0 HB2 ASP A 132 -5.455 16.221 9.133 1.00 70.21 H new ATOM 0 HB3 ASP A 132 -6.451 16.866 7.844 1.00 70.21 H new ATOM 1977 N LEU A 133 -6.252 15.321 5.286 1.00 22.12 N ATOM 1978 CA LEU A 133 -6.554 15.149 3.874 1.00 41.23 C ATOM 1979 C LEU A 133 -7.254 16.383 3.337 1.00 54.31 C ATOM 1980 O LEU A 133 -8.344 16.708 3.794 1.00 30.12 O ATOM 1981 CB LEU A 133 -7.437 13.914 3.712 1.00 32.43 C ATOM 1982 CG LEU A 133 -6.598 12.619 3.666 1.00 61.35 C ATOM 1983 CD1 LEU A 133 -7.000 11.681 4.789 1.00 42.13 C ATOM 1984 CD2 LEU A 133 -6.877 11.866 2.375 1.00 62.11 C ATOM 0 H LEU A 133 -6.920 14.858 5.903 1.00 22.12 H new ATOM 0 HA LEU A 133 -5.632 15.013 3.308 1.00 41.23 H new ATOM 0 HB2 LEU A 133 -8.145 13.861 4.539 1.00 32.43 H new ATOM 0 HB3 LEU A 133 -8.022 14.002 2.797 1.00 32.43 H new ATOM 0 HG LEU A 133 -5.551 12.909 3.750 1.00 61.35 H new ATOM 0 HD11 LEU A 133 -6.397 10.774 4.739 1.00 42.13 H new ATOM 0 HD12 LEU A 133 -6.838 12.172 5.749 1.00 42.13 H new ATOM 0 HD13 LEU A 133 -8.054 11.422 4.687 1.00 42.13 H new ATOM 0 HD21 LEU A 133 -6.281 10.954 2.350 1.00 62.11 H new ATOM 0 HD22 LEU A 133 -7.935 11.610 2.325 1.00 62.11 H new ATOM 0 HD23 LEU A 133 -6.615 12.494 1.524 1.00 62.11 H new ATOM 1996 N THR A 134 -6.658 17.047 2.348 1.00 70.55 N ATOM 1997 CA THR A 134 -7.292 18.172 1.666 1.00 23.54 C ATOM 1998 C THR A 134 -8.176 17.686 0.501 1.00 70.34 C ATOM 1999 O THR A 134 -8.900 18.472 -0.114 1.00 51.02 O ATOM 2000 CB THR A 134 -6.196 19.177 1.267 1.00 32.43 C ATOM 2001 OG1 THR A 134 -6.719 20.480 1.140 1.00 53.15 O ATOM 2002 CG2 THR A 134 -5.456 18.787 -0.015 1.00 12.04 C ATOM 0 H THR A 134 -5.727 16.821 1.999 1.00 70.55 H new ATOM 0 HA THR A 134 -7.983 18.695 2.328 1.00 23.54 H new ATOM 0 HB THR A 134 -5.468 19.157 2.078 1.00 32.43 H new ATOM 0 HG1 THR A 134 -6.001 21.097 0.888 1.00 53.15 H new ATOM 0 HG21 THR A 134 -4.697 19.537 -0.240 1.00 12.04 H new ATOM 0 HG22 THR A 134 -4.978 17.817 0.122 1.00 12.04 H new ATOM 0 HG23 THR A 134 -6.165 18.729 -0.841 1.00 12.04 H new ATOM 2010 N SER A 135 -8.152 16.393 0.167 1.00 21.41 N ATOM 2011 CA SER A 135 -8.968 15.778 -0.867 1.00 53.05 C ATOM 2012 C SER A 135 -9.376 14.395 -0.361 1.00 50.41 C ATOM 2013 O SER A 135 -8.542 13.653 0.152 1.00 63.52 O ATOM 2014 CB SER A 135 -8.149 15.728 -2.163 1.00 23.42 C ATOM 2015 OG SER A 135 -7.905 17.050 -2.634 1.00 24.30 O ATOM 0 H SER A 135 -7.537 15.725 0.632 1.00 21.41 H new ATOM 0 HA SER A 135 -9.875 16.342 -1.083 1.00 53.05 H new ATOM 0 HB2 SER A 135 -7.203 15.215 -1.986 1.00 23.42 H new ATOM 0 HB3 SER A 135 -8.685 15.156 -2.920 1.00 23.42 H new ATOM 0 HG SER A 135 -7.380 17.011 -3.461 1.00 24.30 H new ATOM 2021 N GLY A 136 -10.655 14.040 -0.465 1.00 14.20 N ATOM 2022 CA GLY A 136 -11.105 12.670 -0.281 1.00 43.01 C ATOM 2023 C GLY A 136 -11.950 12.411 0.957 1.00 10.20 C ATOM 2024 O GLY A 136 -12.840 11.566 0.887 1.00 30.54 O ATOM 0 H GLY A 136 -11.405 14.697 -0.679 1.00 14.20 H new ATOM 0 HA2 GLY A 136 -11.681 12.376 -1.159 1.00 43.01 H new ATOM 0 HA3 GLY A 136 -10.229 12.022 -0.242 1.00 43.01 H new ATOM 2028 N ASN A 137 -11.625 13.030 2.096 1.00 3.13 N ATOM 2029 CA ASN A 137 -12.109 12.580 3.404 1.00 2.44 C ATOM 2030 C ASN A 137 -13.631 12.699 3.577 1.00 31.42 C ATOM 2031 O ASN A 137 -14.320 13.334 2.774 1.00 4.42 O ATOM 2032 CB ASN A 137 -11.386 13.286 4.549 1.00 73.31 C ATOM 2033 CG ASN A 137 -11.772 14.744 4.625 1.00 13.33 C ATOM 2034 OD1 ASN A 137 -12.877 15.108 5.005 1.00 33.01 O ATOM 2035 ND2 ASN A 137 -10.901 15.621 4.187 1.00 32.01 N ATOM 0 H ASN A 137 -11.023 13.852 2.137 1.00 3.13 H new ATOM 0 HA ASN A 137 -11.874 11.516 3.442 1.00 2.44 H new ATOM 0 HB2 ASN A 137 -11.626 12.794 5.492 1.00 73.31 H new ATOM 0 HB3 ASN A 137 -10.308 13.200 4.410 1.00 73.31 H new ATOM 0 HD21 ASN A 137 -11.143 16.612 4.162 1.00 32.01 H new ATOM 0 HD22 ASN A 137 -9.981 15.313 3.871 1.00 32.01 H new ATOM 2042 N GLY A 138 -14.149 12.123 4.667 1.00 70.04 N ATOM 2043 CA GLY A 138 -15.550 12.224 5.054 1.00 2.12 C ATOM 2044 C GLY A 138 -16.425 11.157 4.396 1.00 71.04 C ATOM 2045 O GLY A 138 -17.651 11.270 4.417 1.00 34.20 O ATOM 0 H GLY A 138 -13.592 11.564 5.313 1.00 70.04 H new ATOM 0 HA2 GLY A 138 -15.630 12.136 6.137 1.00 2.12 H new ATOM 0 HA3 GLY A 138 -15.926 13.211 4.786 1.00 2.12 H new ATOM 2049 N THR A 139 -15.824 10.135 3.787 1.00 25.02 N ATOM 2050 CA THR A 139 -16.476 9.152 2.924 1.00 73.14 C ATOM 2051 C THR A 139 -15.942 7.738 3.257 1.00 32.24 C ATOM 2052 O THR A 139 -14.951 7.607 3.980 1.00 34.11 O ATOM 2053 CB THR A 139 -16.206 9.579 1.461 1.00 43.02 C ATOM 2054 OG1 THR A 139 -16.343 10.982 1.274 1.00 33.32 O ATOM 2055 CG2 THR A 139 -17.133 8.894 0.463 1.00 13.40 C ATOM 0 H THR A 139 -14.824 9.963 3.887 1.00 25.02 H new ATOM 0 HA THR A 139 -17.554 9.113 3.080 1.00 73.14 H new ATOM 0 HB THR A 139 -15.177 9.273 1.275 1.00 43.02 H new ATOM 0 HG1 THR A 139 -16.162 11.206 0.337 1.00 33.32 H new ATOM 0 HG21 THR A 139 -16.896 9.233 -0.546 1.00 13.40 H new ATOM 0 HG22 THR A 139 -16.999 7.814 0.524 1.00 13.40 H new ATOM 0 HG23 THR A 139 -18.168 9.145 0.696 1.00 13.40 H new ATOM 2063 N THR A 140 -16.559 6.665 2.750 1.00 1.24 N ATOM 2064 CA THR A 140 -16.127 5.286 2.983 1.00 4.20 C ATOM 2065 C THR A 140 -16.258 4.472 1.698 1.00 63.23 C ATOM 2066 O THR A 140 -17.138 4.742 0.880 1.00 42.11 O ATOM 2067 CB THR A 140 -16.909 4.701 4.175 1.00 73.13 C ATOM 2068 OG1 THR A 140 -16.551 3.364 4.454 1.00 3.40 O ATOM 2069 CG2 THR A 140 -18.433 4.764 4.009 1.00 2.21 C ATOM 0 H THR A 140 -17.386 6.734 2.157 1.00 1.24 H new ATOM 0 HA THR A 140 -15.072 5.251 3.253 1.00 4.20 H new ATOM 0 HB THR A 140 -16.626 5.343 5.009 1.00 73.13 H new ATOM 0 HG1 THR A 140 -15.649 3.189 4.113 1.00 3.40 H new ATOM 0 HG21 THR A 140 -18.913 4.334 4.888 1.00 2.21 H new ATOM 0 HG22 THR A 140 -18.744 5.803 3.898 1.00 2.21 H new ATOM 0 HG23 THR A 140 -18.726 4.200 3.123 1.00 2.21 H new ATOM 2077 N PHE A 141 -15.389 3.479 1.518 1.00 21.51 N ATOM 2078 CA PHE A 141 -15.252 2.669 0.302 1.00 71.23 C ATOM 2079 C PHE A 141 -15.017 1.209 0.677 1.00 45.32 C ATOM 2080 O PHE A 141 -14.510 0.928 1.769 1.00 73.54 O ATOM 2081 CB PHE A 141 -14.070 3.170 -0.536 1.00 62.25 C ATOM 2082 CG PHE A 141 -14.063 4.655 -0.841 1.00 61.32 C ATOM 2083 CD1 PHE A 141 -15.186 5.277 -1.419 1.00 54.25 C ATOM 2084 CD2 PHE A 141 -12.916 5.417 -0.556 1.00 1.21 C ATOM 2085 CE1 PHE A 141 -15.181 6.661 -1.668 1.00 10.44 C ATOM 2086 CE2 PHE A 141 -12.904 6.795 -0.827 1.00 22.22 C ATOM 2087 CZ PHE A 141 -14.039 7.423 -1.365 1.00 73.35 C ATOM 0 H PHE A 141 -14.731 3.202 2.246 1.00 21.51 H new ATOM 0 HA PHE A 141 -16.169 2.755 -0.280 1.00 71.23 H new ATOM 0 HB2 PHE A 141 -13.146 2.921 -0.013 1.00 62.25 H new ATOM 0 HB3 PHE A 141 -14.060 2.624 -1.479 1.00 62.25 H new ATOM 0 HD1 PHE A 141 -16.055 4.688 -1.672 1.00 54.25 H new ATOM 0 HD2 PHE A 141 -12.045 4.943 -0.129 1.00 1.21 H new ATOM 0 HE1 PHE A 141 -16.053 7.138 -2.091 1.00 10.44 H new ATOM 0 HE2 PHE A 141 -12.017 7.375 -0.620 1.00 22.22 H new ATOM 0 HZ PHE A 141 -14.035 8.488 -1.545 1.00 73.35 H new ATOM 2097 N LYS A 142 -15.322 0.251 -0.208 1.00 14.33 N ATOM 2098 CA LYS A 142 -15.132 -1.145 0.166 1.00 2.43 C ATOM 2099 C LYS A 142 -13.709 -1.614 -0.068 1.00 30.12 C ATOM 2100 O LYS A 142 -13.084 -1.319 -1.086 1.00 1.22 O ATOM 2101 CB LYS A 142 -16.096 -2.097 -0.530 1.00 74.45 C ATOM 2102 CG LYS A 142 -17.581 -1.767 -0.322 1.00 3.20 C ATOM 2103 CD LYS A 142 -18.414 -3.056 -0.289 1.00 22.21 C ATOM 2104 CE LYS A 142 -19.847 -2.791 0.171 1.00 34.53 C ATOM 2105 NZ LYS A 142 -20.691 -4.003 0.098 1.00 10.14 N ATOM 0 H LYS A 142 -15.686 0.411 -1.147 1.00 14.33 H new ATOM 0 HA LYS A 142 -15.348 -1.174 1.234 1.00 2.43 H new ATOM 0 HB2 LYS A 142 -15.882 -2.092 -1.599 1.00 74.45 H new ATOM 0 HB3 LYS A 142 -15.909 -3.109 -0.172 1.00 74.45 H new ATOM 0 HG2 LYS A 142 -17.711 -1.218 0.611 1.00 3.20 H new ATOM 0 HG3 LYS A 142 -17.933 -1.119 -1.125 1.00 3.20 H new ATOM 0 HD2 LYS A 142 -18.428 -3.506 -1.282 1.00 22.21 H new ATOM 0 HD3 LYS A 142 -17.944 -3.776 0.381 1.00 22.21 H new ATOM 0 HE2 LYS A 142 -19.835 -2.420 1.196 1.00 34.53 H new ATOM 0 HE3 LYS A 142 -20.286 -2.007 -0.446 1.00 34.53 H new ATOM 0 HZ1 LYS A 142 -21.654 -3.776 0.419 1.00 10.14 H new ATOM 0 HZ2 LYS A 142 -20.725 -4.344 -0.884 1.00 10.14 H new ATOM 0 HZ3 LYS A 142 -20.289 -4.744 0.707 1.00 10.14 H new ATOM 2119 N LYS A 143 -13.261 -2.473 0.846 1.00 70.32 N ATOM 2120 CA LYS A 143 -11.959 -3.118 0.852 1.00 52.42 C ATOM 2121 C LYS A 143 -11.670 -3.772 -0.489 1.00 31.53 C ATOM 2122 O LYS A 143 -10.662 -3.475 -1.128 1.00 10.01 O ATOM 2123 CB LYS A 143 -11.977 -4.113 2.018 1.00 4.13 C ATOM 2124 CG LYS A 143 -10.631 -4.750 2.340 1.00 63.44 C ATOM 2125 CD LYS A 143 -10.410 -6.164 1.769 1.00 43.35 C ATOM 2126 CE LYS A 143 -9.614 -6.923 2.830 1.00 11.31 C ATOM 2127 NZ LYS A 143 -9.207 -8.290 2.455 1.00 51.03 N ATOM 0 H LYS A 143 -13.832 -2.750 1.644 1.00 70.32 H new ATOM 0 HA LYS A 143 -11.150 -2.402 0.994 1.00 52.42 H new ATOM 0 HB2 LYS A 143 -12.342 -3.600 2.908 1.00 4.13 H new ATOM 0 HB3 LYS A 143 -12.691 -4.904 1.790 1.00 4.13 H new ATOM 0 HG2 LYS A 143 -9.842 -4.099 1.965 1.00 63.44 H new ATOM 0 HG3 LYS A 143 -10.520 -4.794 3.423 1.00 63.44 H new ATOM 0 HD2 LYS A 143 -11.361 -6.657 1.567 1.00 43.35 H new ATOM 0 HD3 LYS A 143 -9.865 -6.124 0.826 1.00 43.35 H new ATOM 0 HE2 LYS A 143 -8.719 -6.348 3.070 1.00 11.31 H new ATOM 0 HE3 LYS A 143 -10.212 -6.976 3.740 1.00 11.31 H new ATOM 0 HZ1 LYS A 143 -8.826 -8.780 3.289 1.00 51.03 H new ATOM 0 HZ2 LYS A 143 -10.032 -8.811 2.094 1.00 51.03 H new ATOM 0 HZ3 LYS A 143 -8.476 -8.244 1.717 1.00 51.03 H new ATOM 2141 N ARG A 144 -12.567 -4.648 -0.951 1.00 25.42 N ATOM 2142 CA ARG A 144 -12.333 -5.421 -2.168 1.00 65.33 C ATOM 2143 C ARG A 144 -12.129 -4.562 -3.421 1.00 2.02 C ATOM 2144 O ARG A 144 -11.453 -5.035 -4.335 1.00 65.32 O ATOM 2145 CB ARG A 144 -13.409 -6.510 -2.332 1.00 42.45 C ATOM 2146 CG ARG A 144 -14.862 -6.026 -2.475 1.00 53.34 C ATOM 2147 CD ARG A 144 -15.864 -7.130 -2.092 1.00 10.33 C ATOM 2148 NE ARG A 144 -15.893 -8.269 -3.027 1.00 23.31 N ATOM 2149 CZ ARG A 144 -16.724 -8.395 -4.068 1.00 32.20 C ATOM 2150 NH1 ARG A 144 -17.576 -7.429 -4.398 1.00 12.14 N ATOM 2151 NH2 ARG A 144 -16.695 -9.518 -4.767 1.00 45.23 N ATOM 0 H ARG A 144 -13.461 -4.838 -0.498 1.00 25.42 H new ATOM 0 HA ARG A 144 -11.374 -5.926 -2.048 1.00 65.33 H new ATOM 0 HB2 ARG A 144 -13.160 -7.105 -3.210 1.00 42.45 H new ATOM 0 HB3 ARG A 144 -13.355 -7.175 -1.470 1.00 42.45 H new ATOM 0 HG2 ARG A 144 -15.020 -5.154 -1.841 1.00 53.34 H new ATOM 0 HG3 ARG A 144 -15.042 -5.710 -3.503 1.00 53.34 H new ATOM 0 HD2 ARG A 144 -15.619 -7.498 -1.096 1.00 10.33 H new ATOM 0 HD3 ARG A 144 -16.862 -6.696 -2.035 1.00 10.33 H new ATOM 0 HE ARG A 144 -15.225 -9.023 -2.867 1.00 23.31 H new ATOM 0 HH11 ARG A 144 -17.606 -6.567 -3.853 1.00 12.14 H new ATOM 0 HH12 ARG A 144 -18.199 -7.550 -5.196 1.00 12.14 H new ATOM 0 HH21 ARG A 144 -16.049 -10.264 -4.508 1.00 45.23 H new ATOM 0 HH22 ARG A 144 -17.319 -9.638 -5.565 1.00 45.23 H new ATOM 2165 N PHE A 145 -12.598 -3.310 -3.463 1.00 1.00 N ATOM 2166 CA PHE A 145 -12.541 -2.467 -4.659 1.00 43.35 C ATOM 2167 C PHE A 145 -11.424 -1.416 -4.653 1.00 63.55 C ATOM 2168 O PHE A 145 -11.273 -0.691 -5.637 1.00 13.10 O ATOM 2169 CB PHE A 145 -13.907 -1.809 -4.874 1.00 63.45 C ATOM 2170 CG PHE A 145 -14.991 -2.751 -5.369 1.00 62.32 C ATOM 2171 CD1 PHE A 145 -14.820 -3.455 -6.578 1.00 73.23 C ATOM 2172 CD2 PHE A 145 -16.219 -2.837 -4.688 1.00 25.43 C ATOM 2173 CE1 PHE A 145 -15.855 -4.265 -7.077 1.00 24.33 C ATOM 2174 CE2 PHE A 145 -17.262 -3.619 -5.206 1.00 25.44 C ATOM 2175 CZ PHE A 145 -17.078 -4.348 -6.391 1.00 73.23 C ATOM 0 H PHE A 145 -13.031 -2.851 -2.661 1.00 1.00 H new ATOM 0 HA PHE A 145 -12.293 -3.126 -5.491 1.00 43.35 H new ATOM 0 HB2 PHE A 145 -14.233 -1.363 -3.934 1.00 63.45 H new ATOM 0 HB3 PHE A 145 -13.795 -0.996 -5.591 1.00 63.45 H new ATOM 0 HD1 PHE A 145 -13.891 -3.372 -7.123 1.00 73.23 H new ATOM 0 HD2 PHE A 145 -16.359 -2.299 -3.762 1.00 25.43 H new ATOM 0 HE1 PHE A 145 -15.710 -4.824 -7.989 1.00 24.33 H new ATOM 0 HE2 PHE A 145 -18.210 -3.660 -4.691 1.00 25.44 H new ATOM 0 HZ PHE A 145 -17.873 -4.970 -6.774 1.00 73.23 H new ATOM 2185 N ILE A 146 -10.624 -1.304 -3.594 1.00 71.41 N ATOM 2186 CA ILE A 146 -9.462 -0.419 -3.589 1.00 44.22 C ATOM 2187 C ILE A 146 -8.335 -1.169 -4.299 1.00 52.11 C ATOM 2188 O ILE A 146 -7.788 -2.124 -3.753 1.00 4.32 O ATOM 2189 CB ILE A 146 -9.153 0.028 -2.143 1.00 30.14 C ATOM 2190 CG1 ILE A 146 -10.285 0.988 -1.704 1.00 73.42 C ATOM 2191 CG2 ILE A 146 -7.787 0.730 -2.021 1.00 5.21 C ATOM 2192 CD1 ILE A 146 -10.336 1.232 -0.199 1.00 12.23 C ATOM 0 H ILE A 146 -10.761 -1.819 -2.724 1.00 71.41 H new ATOM 0 HA ILE A 146 -9.626 0.513 -4.130 1.00 44.22 H new ATOM 0 HB ILE A 146 -9.103 -0.852 -1.502 1.00 30.14 H new ATOM 0 HG12 ILE A 146 -10.157 1.943 -2.213 1.00 73.42 H new ATOM 0 HG13 ILE A 146 -11.242 0.579 -2.029 1.00 73.42 H new ATOM 0 HG21 ILE A 146 -7.620 1.023 -0.985 1.00 5.21 H new ATOM 0 HG22 ILE A 146 -6.998 0.048 -2.337 1.00 5.21 H new ATOM 0 HG23 ILE A 146 -7.775 1.616 -2.655 1.00 5.21 H new ATOM 0 HD11 ILE A 146 -11.154 1.914 0.031 1.00 12.23 H new ATOM 0 HD12 ILE A 146 -10.496 0.286 0.318 1.00 12.23 H new ATOM 0 HD13 ILE A 146 -9.394 1.671 0.131 1.00 12.23 H new ATOM 2204 N ASP A 147 -8.031 -0.809 -5.544 1.00 24.34 N ATOM 2205 CA ASP A 147 -6.925 -1.365 -6.311 1.00 3.31 C ATOM 2206 C ASP A 147 -6.377 -0.351 -7.323 1.00 22.44 C ATOM 2207 O ASP A 147 -6.572 -0.493 -8.529 1.00 41.34 O ATOM 2208 CB ASP A 147 -7.241 -2.754 -6.916 1.00 12.31 C ATOM 2209 CG ASP A 147 -8.659 -2.989 -7.463 1.00 42.04 C ATOM 2210 OD1 ASP A 147 -9.030 -2.502 -8.564 1.00 32.10 O ATOM 2211 OD2 ASP A 147 -9.404 -3.756 -6.808 1.00 10.02 O ATOM 0 H ASP A 147 -8.562 -0.105 -6.058 1.00 24.34 H new ATOM 0 HA ASP A 147 -6.114 -1.560 -5.610 1.00 3.31 H new ATOM 0 HB2 ASP A 147 -6.535 -2.936 -7.726 1.00 12.31 H new ATOM 0 HB3 ASP A 147 -7.048 -3.505 -6.150 1.00 12.31 H new ATOM 2216 N LYS A 148 -5.672 0.674 -6.819 1.00 41.43 N ATOM 2217 CA LYS A 148 -4.793 1.607 -7.547 1.00 64.23 C ATOM 2218 C LYS A 148 -4.291 2.701 -6.611 1.00 11.34 C ATOM 2219 O LYS A 148 -5.085 3.477 -6.068 1.00 41.02 O ATOM 2220 CB LYS A 148 -5.468 2.242 -8.782 1.00 64.51 C ATOM 2221 CG LYS A 148 -4.970 1.582 -10.074 1.00 50.11 C ATOM 2222 CD LYS A 148 -3.983 2.541 -10.744 1.00 42.35 C ATOM 2223 CE LYS A 148 -3.001 1.847 -11.670 1.00 34.33 C ATOM 2224 NZ LYS A 148 -3.647 1.106 -12.774 1.00 45.05 N ATOM 0 H LYS A 148 -5.702 0.889 -5.822 1.00 41.43 H new ATOM 0 HA LYS A 148 -3.954 1.016 -7.914 1.00 64.23 H new ATOM 0 HB2 LYS A 148 -6.550 2.134 -8.707 1.00 64.51 H new ATOM 0 HB3 LYS A 148 -5.256 3.311 -8.809 1.00 64.51 H new ATOM 0 HG2 LYS A 148 -4.487 0.630 -9.854 1.00 50.11 H new ATOM 0 HG3 LYS A 148 -5.806 1.369 -10.740 1.00 50.11 H new ATOM 0 HD2 LYS A 148 -4.541 3.287 -11.311 1.00 42.35 H new ATOM 0 HD3 LYS A 148 -3.428 3.076 -9.973 1.00 42.35 H new ATOM 0 HE2 LYS A 148 -2.324 2.591 -12.091 1.00 34.33 H new ATOM 0 HE3 LYS A 148 -2.392 1.155 -11.087 1.00 34.33 H new ATOM 0 HZ1 LYS A 148 -2.917 0.672 -13.375 1.00 45.05 H new ATOM 0 HZ2 LYS A 148 -4.259 0.363 -12.382 1.00 45.05 H new ATOM 0 HZ3 LYS A 148 -4.220 1.761 -13.344 1.00 45.05 H new ATOM 2238 N ILE A 149 -2.977 2.789 -6.416 1.00 5.02 N ATOM 2239 CA ILE A 149 -2.340 3.766 -5.534 1.00 23.30 C ATOM 2240 C ILE A 149 -1.142 4.335 -6.291 1.00 5.30 C ATOM 2241 O ILE A 149 -0.367 3.578 -6.872 1.00 23.42 O ATOM 2242 CB ILE A 149 -1.970 3.122 -4.177 1.00 4.32 C ATOM 2243 CG1 ILE A 149 -3.208 2.524 -3.467 1.00 11.42 C ATOM 2244 CG2 ILE A 149 -1.318 4.149 -3.233 1.00 4.44 C ATOM 2245 CD1 ILE A 149 -3.411 1.025 -3.704 1.00 70.22 C ATOM 0 H ILE A 149 -2.310 2.170 -6.877 1.00 5.02 H new ATOM 0 HA ILE A 149 -3.015 4.583 -5.280 1.00 23.30 H new ATOM 0 HB ILE A 149 -1.264 2.323 -4.400 1.00 4.32 H new ATOM 0 HG12 ILE A 149 -3.118 2.701 -2.395 1.00 11.42 H new ATOM 0 HG13 ILE A 149 -4.097 3.056 -3.804 1.00 11.42 H new ATOM 0 HG21 ILE A 149 -1.069 3.667 -2.287 1.00 4.44 H new ATOM 0 HG22 ILE A 149 -0.410 4.539 -3.692 1.00 4.44 H new ATOM 0 HG23 ILE A 149 -2.013 4.968 -3.051 1.00 4.44 H new ATOM 0 HD11 ILE A 149 -4.300 0.689 -3.170 1.00 70.22 H new ATOM 0 HD12 ILE A 149 -3.536 0.839 -4.771 1.00 70.22 H new ATOM 0 HD13 ILE A 149 -2.541 0.478 -3.340 1.00 70.22 H new ATOM 2257 N THR A 150 -0.997 5.653 -6.318 1.00 11.14 N ATOM 2258 CA THR A 150 0.146 6.323 -6.915 1.00 41.02 C ATOM 2259 C THR A 150 0.676 7.325 -5.896 1.00 32.20 C ATOM 2260 O THR A 150 0.000 7.644 -4.913 1.00 54.15 O ATOM 2261 CB THR A 150 -0.239 6.962 -8.267 1.00 3.24 C ATOM 2262 OG1 THR A 150 -1.366 7.815 -8.153 1.00 22.11 O ATOM 2263 CG2 THR A 150 -0.559 5.904 -9.328 1.00 23.32 C ATOM 0 H THR A 150 -1.682 6.295 -5.919 1.00 11.14 H new ATOM 0 HA THR A 150 0.942 5.617 -7.151 1.00 41.02 H new ATOM 0 HB THR A 150 0.632 7.543 -8.571 1.00 3.24 H new ATOM 0 HG1 THR A 150 -1.575 8.200 -9.030 1.00 22.11 H new ATOM 0 HG21 THR A 150 -0.825 6.396 -10.264 1.00 23.32 H new ATOM 0 HG22 THR A 150 0.314 5.271 -9.486 1.00 23.32 H new ATOM 0 HG23 THR A 150 -1.395 5.291 -8.990 1.00 23.32 H new ATOM 2271 N ILE A 151 1.883 7.828 -6.120 1.00 11.00 N ATOM 2272 CA ILE A 151 2.434 8.944 -5.370 1.00 32.10 C ATOM 2273 C ILE A 151 2.791 10.011 -6.397 1.00 42.22 C ATOM 2274 O ILE A 151 3.114 9.690 -7.544 1.00 13.42 O ATOM 2275 CB ILE A 151 3.602 8.470 -4.471 1.00 64.25 C ATOM 2276 CG1 ILE A 151 3.089 7.504 -3.378 1.00 33.34 C ATOM 2277 CG2 ILE A 151 4.311 9.641 -3.768 1.00 11.22 C ATOM 2278 CD1 ILE A 151 3.376 6.031 -3.673 1.00 73.22 C ATOM 0 H ILE A 151 2.513 7.467 -6.837 1.00 11.00 H new ATOM 0 HA ILE A 151 1.727 9.378 -4.663 1.00 32.10 H new ATOM 0 HB ILE A 151 4.310 7.969 -5.131 1.00 64.25 H new ATOM 0 HG12 ILE A 151 3.548 7.771 -2.426 1.00 33.34 H new ATOM 0 HG13 ILE A 151 2.014 7.639 -3.262 1.00 33.34 H new ATOM 0 HG21 ILE A 151 5.122 9.257 -3.150 1.00 11.22 H new ATOM 0 HG22 ILE A 151 4.716 10.323 -4.516 1.00 11.22 H new ATOM 0 HG23 ILE A 151 3.597 10.174 -3.140 1.00 11.22 H new ATOM 0 HD11 ILE A 151 2.987 5.415 -2.862 1.00 73.22 H new ATOM 0 HD12 ILE A 151 2.894 5.747 -4.608 1.00 73.22 H new ATOM 0 HD13 ILE A 151 4.452 5.880 -3.759 1.00 73.22 H new ATOM 2290 N ASP A 152 2.679 11.275 -6.000 1.00 4.03 N ATOM 2291 CA ASP A 152 3.172 12.428 -6.759 1.00 44.03 C ATOM 2292 C ASP A 152 4.683 12.340 -6.856 1.00 61.54 C ATOM 2293 O ASP A 152 5.388 12.497 -5.832 1.00 61.22 O ATOM 2294 CB ASP A 152 2.749 13.731 -6.081 1.00 62.23 C ATOM 2295 CG ASP A 152 3.212 15.036 -6.748 1.00 32.23 C ATOM 2296 OD1 ASP A 152 4.239 15.084 -7.461 1.00 62.55 O ATOM 2297 OD2 ASP A 152 2.546 16.076 -6.514 1.00 53.25 O ATOM 0 H ASP A 152 2.233 11.536 -5.121 1.00 4.03 H new ATOM 0 HA ASP A 152 2.744 12.419 -7.761 1.00 44.03 H new ATOM 0 HB2 ASP A 152 1.661 13.746 -6.022 1.00 62.23 H new ATOM 0 HB3 ASP A 152 3.124 13.720 -5.058 1.00 62.23 H new