USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot -11:sc= 1.21 USER MOD Set 1.2: A 130 MET CE :methyl -109:sc= -4.79! (180deg=-9.72!) USER MOD Set 2.1: A 47 CYS SG : rot 76:sc= -0.931 USER MOD Set 2.2: A 105 GLN : amide:sc= -4.7! C(o=-5.6!,f=-15!) USER MOD Set 3.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 SER OG : rot -11:sc= 0.635 USER MOD Set 4.1: A 73 THR OG1 : rot -149:sc= 1.03 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 175:sc= 1.13 (180deg=-0.0332) USER MOD Set 5.1: A 67 TYR OH : rot 180:sc= -0.981 USER MOD Set 5.2: A 72 GLN : amide:sc= -1.1 K(o=-2.1,f=-0.99) USER MOD Set 6.1: A 53 SER OG : rot 140:sc= 0.12 USER MOD Set 6.2: A 58 GLN : amide:sc= -2.87 K(o=-2.8,f=-5.4!) USER MOD Set 6.3: A 62 LYS NZ :NH3+ -179:sc= -0.0306 (180deg=-0.166) USER MOD Set 7.1: A 29 THR OG1 : rot 152:sc= -0.283 USER MOD Set 7.2: A 33 LYS NZ :NH3+ 145:sc= 2.27 (180deg=-0.141) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.09) USER MOD Single : A 20 SER OG : rot 87:sc= 1.27 USER MOD Single : A 21 HIS : no HE2:sc= -0.805 K(o=-0.14,f=-9.1!) USER MOD Single : A 34 THR OG1 : rot -30:sc= 0.152 USER MOD Single : A 37 SER OG : rot -39:sc= 0.124 USER MOD Single : A 40 ASN : amide:sc= 1.29 K(o=1.3,f=-1.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0834 (180deg=-0.394) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00786) USER MOD Single : A 57 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-0.93) USER MOD Single : A 60 HIS : no HD1:sc= -1.99 K(o=-2,f=0.014) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= 0.216 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -156:sc= 1.18 (180deg=1.04) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.0728 K(o=0.073,f=-0.5) USER MOD Single : A 85 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 90 THR OG1 : rot -11:sc= 1.3 USER MOD Single : A 91 ASN : amide:sc= 0.949 K(o=0.95,f=-0.055) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.887 K(o=-0.89,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.3!) USER MOD Single : A 106 SER OG : rot 77:sc= 0.0746 USER MOD Single : A 109 TYR OH : rot 53:sc= 1.17 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl 178:sc= -2.66 (180deg=-2.67) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 116 SER OG : rot -23:sc= 1.24 USER MOD Single : A 117 TYR OH : rot 32:sc= 1.32 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -77:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.129 5.407 3.943 1.00 0.00 N ATOM 32 CA VAL A 3 141.213 5.323 2.518 1.00 0.00 C ATOM 33 C VAL A 3 141.960 6.508 1.951 1.00 0.00 C ATOM 34 O VAL A 3 141.752 7.660 2.359 1.00 0.00 O ATOM 35 CB VAL A 3 139.801 5.150 1.859 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.836 6.219 2.326 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.877 5.154 0.334 1.00 0.00 C ATOM 0 HA VAL A 3 141.782 4.427 2.272 1.00 0.00 H new ATOM 0 HB VAL A 3 139.429 4.177 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.867 6.068 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.721 6.158 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.224 7.202 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.876 5.032 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.298 6.100 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.511 4.333 -0.001 1.00 0.00 H new ATOM 47 N SER A 4 142.873 6.213 1.086 1.00 0.00 N ATOM 48 CA SER A 4 143.623 7.197 0.393 1.00 0.00 C ATOM 49 C SER A 4 142.690 7.905 -0.593 1.00 0.00 C ATOM 50 O SER A 4 141.901 7.245 -1.274 1.00 0.00 O ATOM 51 CB SER A 4 144.766 6.503 -0.336 1.00 0.00 C ATOM 52 OG SER A 4 145.500 5.670 0.568 1.00 0.00 O ATOM 0 H SER A 4 143.121 5.255 0.838 1.00 0.00 H new ATOM 0 HA SER A 4 144.041 7.937 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.372 5.902 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.430 7.247 -0.776 1.00 0.00 H new ATOM 0 HG SER A 4 146.230 5.229 0.086 1.00 0.00 H new ATOM 58 N PRO A 5 142.736 9.249 -0.654 1.00 0.00 N ATOM 59 CA PRO A 5 141.885 10.058 -1.543 1.00 0.00 C ATOM 60 C PRO A 5 141.869 9.580 -3.006 1.00 0.00 C ATOM 61 O PRO A 5 140.890 9.799 -3.726 1.00 0.00 O ATOM 62 CB PRO A 5 142.481 11.470 -1.450 1.00 0.00 C ATOM 63 CG PRO A 5 143.737 11.336 -0.653 1.00 0.00 C ATOM 64 CD PRO A 5 143.589 10.103 0.178 1.00 0.00 C ATOM 0 HA PRO A 5 140.843 9.993 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.689 11.871 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.785 12.156 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.605 11.259 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.890 12.212 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.552 9.635 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.128 10.318 1.142 1.00 0.00 H new ATOM 72 N GLU A 6 142.941 8.936 -3.441 1.00 0.00 N ATOM 73 CA GLU A 6 143.013 8.408 -4.796 1.00 0.00 C ATOM 74 C GLU A 6 142.058 7.226 -4.948 1.00 0.00 C ATOM 75 O GLU A 6 141.240 7.186 -5.853 1.00 0.00 O ATOM 76 CB GLU A 6 144.442 7.993 -5.149 1.00 0.00 C ATOM 77 CG GLU A 6 145.454 9.124 -5.072 1.00 0.00 C ATOM 78 CD GLU A 6 145.074 10.303 -5.926 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.344 10.289 -7.147 1.00 0.00 O ATOM 80 OE2 GLU A 6 144.506 11.275 -5.394 1.00 0.00 O ATOM 0 H GLU A 6 143.773 8.766 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 6 142.714 9.195 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.754 7.195 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.450 7.581 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.552 9.448 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 6 146.431 8.754 -5.384 1.00 0.00 H new ATOM 87 N GLU A 7 142.134 6.299 -4.032 1.00 0.00 N ATOM 88 CA GLU A 7 141.266 5.147 -4.031 1.00 0.00 C ATOM 89 C GLU A 7 139.826 5.591 -3.782 1.00 0.00 C ATOM 90 O GLU A 7 138.891 5.054 -4.362 1.00 0.00 O ATOM 91 CB GLU A 7 141.759 4.156 -2.977 1.00 0.00 C ATOM 92 CG GLU A 7 140.910 2.931 -2.782 1.00 0.00 C ATOM 93 CD GLU A 7 141.579 1.925 -1.890 1.00 0.00 C ATOM 94 OE1 GLU A 7 142.248 2.310 -0.908 1.00 0.00 O ATOM 95 OE2 GLU A 7 141.470 0.712 -2.163 1.00 0.00 O ATOM 0 H GLU A 7 142.802 6.319 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 7 141.287 4.646 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.766 3.838 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.835 4.678 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 7 139.951 3.218 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.701 2.476 -3.750 1.00 0.00 H new ATOM 102 N ALA A 8 139.673 6.622 -2.973 1.00 0.00 N ATOM 103 CA ALA A 8 138.372 7.175 -2.695 1.00 0.00 C ATOM 104 C ALA A 8 137.725 7.786 -3.966 1.00 0.00 C ATOM 105 O ALA A 8 136.537 7.609 -4.181 1.00 0.00 O ATOM 106 CB ALA A 8 138.430 8.158 -1.517 1.00 0.00 C ATOM 0 H ALA A 8 140.443 7.092 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 8 137.716 6.360 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.434 8.560 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.785 7.639 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 8 139.111 8.974 -1.757 1.00 0.00 H new ATOM 112 N VAL A 9 138.505 8.501 -4.823 1.00 0.00 N ATOM 113 CA VAL A 9 137.933 9.022 -6.098 1.00 0.00 C ATOM 114 C VAL A 9 137.523 7.879 -7.024 1.00 0.00 C ATOM 115 O VAL A 9 136.613 8.025 -7.837 1.00 0.00 O ATOM 116 CB VAL A 9 138.835 10.042 -6.892 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.173 11.264 -6.081 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.087 9.409 -7.445 1.00 0.00 C ATOM 0 H VAL A 9 139.488 8.723 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 9 137.062 9.593 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 9 138.230 10.362 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.796 11.934 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.255 11.778 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.714 10.966 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.668 10.159 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.683 9.006 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.816 8.603 -8.128 1.00 0.00 H new ATOM 128 N LYS A 10 138.195 6.739 -6.895 1.00 0.00 N ATOM 129 CA LYS A 10 137.835 5.535 -7.656 1.00 0.00 C ATOM 130 C LYS A 10 136.418 5.070 -7.306 1.00 0.00 C ATOM 131 O LYS A 10 135.708 4.518 -8.137 1.00 0.00 O ATOM 132 CB LYS A 10 138.858 4.401 -7.443 1.00 0.00 C ATOM 133 CG LYS A 10 140.057 4.411 -8.400 1.00 0.00 C ATOM 134 CD LYS A 10 140.749 5.759 -8.490 1.00 0.00 C ATOM 135 CE LYS A 10 141.938 5.698 -9.420 1.00 0.00 C ATOM 136 NZ LYS A 10 142.546 7.027 -9.656 1.00 0.00 N ATOM 0 H LYS A 10 138.993 6.618 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 10 137.855 5.797 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.230 4.457 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.343 3.446 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.779 3.662 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 139.721 4.117 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.044 6.510 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.075 6.071 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.689 5.029 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 141.627 5.270 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.357 6.928 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 141.840 7.661 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 142.869 7.427 -8.752 1.00 0.00 H new ATOM 150 N TRP A 11 135.986 5.361 -6.093 1.00 0.00 N ATOM 151 CA TRP A 11 134.636 5.017 -5.638 1.00 0.00 C ATOM 152 C TRP A 11 133.583 5.782 -6.430 1.00 0.00 C ATOM 153 O TRP A 11 132.426 5.379 -6.489 1.00 0.00 O ATOM 154 CB TRP A 11 134.466 5.303 -4.146 1.00 0.00 C ATOM 155 CG TRP A 11 135.362 4.491 -3.261 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.167 3.461 -3.639 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.519 4.623 -1.847 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.829 2.962 -2.565 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.446 3.652 -1.445 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.968 5.473 -0.878 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.833 3.507 -0.128 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.351 5.317 0.438 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.275 4.342 0.797 1.00 0.00 C ATOM 0 H TRP A 11 136.552 5.840 -5.392 1.00 0.00 H new ATOM 0 HA TRP A 11 134.499 3.949 -5.806 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.657 6.361 -3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.429 5.114 -3.867 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.265 3.093 -4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.503 2.197 -2.588 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.257 6.236 -1.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.554 2.757 0.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.929 5.959 1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.559 4.243 1.834 1.00 0.00 H new ATOM 174 N GLY A 12 134.012 6.862 -7.068 1.00 0.00 N ATOM 175 CA GLY A 12 133.136 7.674 -7.876 1.00 0.00 C ATOM 176 C GLY A 12 132.962 7.107 -9.275 1.00 0.00 C ATOM 177 O GLY A 12 132.232 7.667 -10.098 1.00 0.00 O ATOM 0 H GLY A 12 134.976 7.193 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.162 7.749 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.538 8.685 -7.942 1.00 0.00 H new ATOM 181 N GLU A 13 133.650 6.008 -9.559 1.00 0.00 N ATOM 182 CA GLU A 13 133.503 5.335 -10.837 1.00 0.00 C ATOM 183 C GLU A 13 132.317 4.403 -10.773 1.00 0.00 C ATOM 184 O GLU A 13 131.475 4.390 -11.663 1.00 0.00 O ATOM 185 CB GLU A 13 134.741 4.528 -11.186 1.00 0.00 C ATOM 186 CG GLU A 13 136.018 5.326 -11.238 1.00 0.00 C ATOM 187 CD GLU A 13 137.181 4.459 -11.607 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.722 3.763 -10.727 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.562 4.426 -12.794 1.00 0.00 O ATOM 0 H GLU A 13 134.313 5.567 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 13 133.358 6.095 -11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.857 3.730 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.587 4.051 -12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.917 6.133 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.200 5.791 -10.269 1.00 0.00 H new ATOM 196 N SER A 14 132.252 3.625 -9.707 1.00 0.00 N ATOM 197 CA SER A 14 131.171 2.700 -9.531 1.00 0.00 C ATOM 198 C SER A 14 130.918 2.420 -8.056 1.00 0.00 C ATOM 199 O SER A 14 131.867 2.177 -7.255 1.00 0.00 O ATOM 200 CB SER A 14 131.418 1.389 -10.301 1.00 0.00 C ATOM 201 OG SER A 14 130.301 0.505 -10.195 1.00 0.00 O ATOM 0 H SER A 14 132.941 3.623 -8.955 1.00 0.00 H new ATOM 0 HA SER A 14 130.277 3.166 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 14 131.609 1.612 -11.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.310 0.899 -9.912 1.00 0.00 H new ATOM 0 HG SER A 14 130.486 -0.317 -10.695 1.00 0.00 H new ATOM 207 N PHE A 15 129.645 2.416 -7.718 1.00 0.00 N ATOM 208 CA PHE A 15 129.155 2.163 -6.382 1.00 0.00 C ATOM 209 C PHE A 15 129.593 0.781 -5.922 1.00 0.00 C ATOM 210 O PHE A 15 129.862 0.577 -4.762 1.00 0.00 O ATOM 211 CB PHE A 15 127.611 2.311 -6.374 1.00 0.00 C ATOM 212 CG PHE A 15 126.902 2.013 -5.065 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.381 2.480 -3.854 1.00 0.00 C ATOM 214 CD2 PHE A 15 125.750 1.257 -5.063 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.717 2.193 -2.674 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.088 0.973 -3.892 1.00 0.00 C ATOM 217 CZ PHE A 15 125.572 1.439 -2.702 1.00 0.00 C ATOM 0 H PHE A 15 128.899 2.595 -8.390 1.00 0.00 H new ATOM 0 HA PHE A 15 129.573 2.887 -5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.366 3.331 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.202 1.651 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.282 3.075 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.360 0.881 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.100 2.562 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.185 0.381 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.052 1.213 -1.783 1.00 0.00 H new ATOM 227 N ASP A 16 129.722 -0.133 -6.862 1.00 0.00 N ATOM 228 CA ASP A 16 130.126 -1.502 -6.575 1.00 0.00 C ATOM 229 C ASP A 16 131.515 -1.583 -5.942 1.00 0.00 C ATOM 230 O ASP A 16 131.715 -2.334 -4.983 1.00 0.00 O ATOM 231 CB ASP A 16 130.066 -2.359 -7.830 1.00 0.00 C ATOM 232 CG ASP A 16 130.413 -3.805 -7.572 1.00 0.00 C ATOM 233 OD1 ASP A 16 129.543 -4.565 -7.092 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.547 -4.226 -7.881 1.00 0.00 O ATOM 0 H ASP A 16 129.550 0.049 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 16 129.416 -1.891 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.064 -2.302 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.752 -1.953 -8.574 1.00 0.00 H new ATOM 239 N LYS A 17 132.472 -0.784 -6.426 1.00 0.00 N ATOM 240 CA LYS A 17 133.818 -0.860 -5.849 1.00 0.00 C ATOM 241 C LYS A 17 133.848 -0.148 -4.516 1.00 0.00 C ATOM 242 O LYS A 17 134.556 -0.567 -3.597 1.00 0.00 O ATOM 243 CB LYS A 17 134.939 -0.362 -6.784 1.00 0.00 C ATOM 244 CG LYS A 17 134.905 1.111 -7.140 1.00 0.00 C ATOM 245 CD LYS A 17 136.108 1.504 -7.985 1.00 0.00 C ATOM 246 CE LYS A 17 136.110 0.808 -9.332 1.00 0.00 C ATOM 247 NZ LYS A 17 137.250 1.220 -10.166 1.00 0.00 N ATOM 0 H LYS A 17 132.351 -0.108 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 17 134.032 -1.919 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.899 -0.580 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.897 -0.939 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 133.987 1.335 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 17 134.888 1.707 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.108 2.584 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.024 1.257 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.142 -0.271 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.180 1.029 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.061 0.974 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.387 2.248 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.109 0.730 -9.846 1.00 0.00 H new ATOM 261 N LEU A 18 133.048 0.912 -4.416 1.00 0.00 N ATOM 262 CA LEU A 18 132.847 1.635 -3.161 1.00 0.00 C ATOM 263 C LEU A 18 132.326 0.674 -2.103 1.00 0.00 C ATOM 264 O LEU A 18 132.872 0.549 -1.008 1.00 0.00 O ATOM 265 CB LEU A 18 131.791 2.747 -3.389 1.00 0.00 C ATOM 266 CG LEU A 18 131.094 3.318 -2.135 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.050 4.039 -1.243 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.951 4.222 -2.512 1.00 0.00 C ATOM 0 H LEU A 18 132.521 1.294 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 18 133.790 2.070 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.275 3.571 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.023 2.353 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 18 130.698 2.467 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.517 4.424 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.830 3.352 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.502 4.868 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.480 4.609 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.326 5.053 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.218 3.660 -3.091 1.00 0.00 H new ATOM 280 N LEU A 19 131.308 -0.028 -2.496 1.00 0.00 N ATOM 281 CA LEU A 19 130.548 -0.893 -1.656 1.00 0.00 C ATOM 282 C LEU A 19 131.336 -2.131 -1.251 1.00 0.00 C ATOM 283 O LEU A 19 131.179 -2.638 -0.149 1.00 0.00 O ATOM 284 CB LEU A 19 129.305 -1.271 -2.424 1.00 0.00 C ATOM 285 CG LEU A 19 128.102 -1.643 -1.623 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.786 -0.516 -0.640 1.00 0.00 C ATOM 287 CD2 LEU A 19 126.936 -1.860 -2.575 1.00 0.00 C ATOM 0 H LEU A 19 130.971 -0.010 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 19 130.294 -0.383 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.037 -0.434 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.551 -2.109 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 19 128.283 -2.558 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 19 126.908 -0.782 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.636 -0.364 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.588 0.403 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.047 -2.133 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.744 -0.942 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.180 -2.661 -3.273 1.00 0.00 H new ATOM 299 N SER A 20 132.186 -2.604 -2.131 1.00 0.00 N ATOM 300 CA SER A 20 132.995 -3.772 -1.840 1.00 0.00 C ATOM 301 C SER A 20 134.171 -3.425 -0.911 1.00 0.00 C ATOM 302 O SER A 20 134.784 -4.310 -0.304 1.00 0.00 O ATOM 303 CB SER A 20 133.480 -4.408 -3.138 1.00 0.00 C ATOM 304 OG SER A 20 132.365 -4.751 -3.975 1.00 0.00 O ATOM 0 H SER A 20 132.338 -2.201 -3.055 1.00 0.00 H new ATOM 0 HA SER A 20 132.376 -4.496 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.139 -3.718 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.065 -5.301 -2.917 1.00 0.00 H new ATOM 0 HG SER A 20 132.114 -3.976 -4.519 1.00 0.00 H new ATOM 310 N HIS A 21 134.450 -2.145 -0.767 1.00 0.00 N ATOM 311 CA HIS A 21 135.533 -1.707 0.074 1.00 0.00 C ATOM 312 C HIS A 21 134.964 -1.553 1.467 1.00 0.00 C ATOM 313 O HIS A 21 133.974 -0.887 1.632 1.00 0.00 O ATOM 314 CB HIS A 21 136.080 -0.364 -0.420 1.00 0.00 C ATOM 315 CG HIS A 21 137.561 -0.208 -0.248 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.155 0.667 0.625 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.575 -0.799 -0.911 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.450 0.604 0.486 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.736 -0.277 -0.437 1.00 0.00 N ATOM 0 H HIS A 21 133.937 -1.392 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 21 136.354 -2.424 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.833 -0.249 -1.475 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.576 0.441 0.115 1.00 0.00 H new ATOM 0 HD1 HIS A 21 137.661 1.272 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.481 -1.551 -1.680 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.170 1.185 1.043 1.00 0.00 H new ATOM 328 N ARG A 22 135.574 -2.162 2.443 1.00 0.00 N ATOM 329 CA ARG A 22 135.061 -2.152 3.824 1.00 0.00 C ATOM 330 C ARG A 22 134.905 -0.745 4.407 1.00 0.00 C ATOM 331 O ARG A 22 133.923 -0.463 5.079 1.00 0.00 O ATOM 332 CB ARG A 22 135.879 -3.071 4.741 1.00 0.00 C ATOM 333 CG ARG A 22 135.488 -4.559 4.677 1.00 0.00 C ATOM 334 CD ARG A 22 135.564 -5.168 3.270 1.00 0.00 C ATOM 335 NE ARG A 22 135.189 -6.592 3.290 1.00 0.00 N ATOM 336 CZ ARG A 22 134.737 -7.319 2.250 1.00 0.00 C ATOM 337 NH1 ARG A 22 134.588 -6.769 1.032 1.00 0.00 N ATOM 338 NH2 ARG A 22 134.430 -8.602 2.442 1.00 0.00 N ATOM 0 H ARG A 22 136.442 -2.685 2.326 1.00 0.00 H new ATOM 0 HA ARG A 22 134.051 -2.558 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.933 -2.975 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.771 -2.725 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.142 -5.124 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 22 134.472 -4.673 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 22 134.901 -4.623 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 22 136.575 -5.060 2.877 1.00 0.00 H new ATOM 0 HE ARG A 22 135.281 -7.077 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 134.819 -5.786 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 22 134.244 -7.334 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 134.539 -9.020 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 22 134.086 -9.166 1.665 1.00 0.00 H new ATOM 352 N ASP A 23 135.836 0.134 4.135 1.00 0.00 N ATOM 353 CA ASP A 23 135.698 1.538 4.579 1.00 0.00 C ATOM 354 C ASP A 23 134.845 2.360 3.625 1.00 0.00 C ATOM 355 O ASP A 23 134.436 3.463 3.952 1.00 0.00 O ATOM 356 CB ASP A 23 137.040 2.242 4.872 1.00 0.00 C ATOM 357 CG ASP A 23 138.077 2.039 3.822 1.00 0.00 C ATOM 358 OD1 ASP A 23 137.803 2.251 2.653 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.192 1.558 4.174 1.00 0.00 O ATOM 0 H ASP A 23 136.691 -0.071 3.619 1.00 0.00 H new ATOM 0 HA ASP A 23 135.177 1.477 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 136.859 3.311 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.427 1.880 5.824 1.00 0.00 H new ATOM 364 N GLY A 24 134.541 1.804 2.472 1.00 0.00 N ATOM 365 CA GLY A 24 133.676 2.487 1.530 1.00 0.00 C ATOM 366 C GLY A 24 132.261 2.157 1.826 1.00 0.00 C ATOM 367 O GLY A 24 131.397 3.029 1.876 1.00 0.00 O ATOM 0 H GLY A 24 134.875 0.890 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.830 3.564 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.924 2.190 0.511 1.00 0.00 H new ATOM 371 N LEU A 25 132.039 0.887 2.053 1.00 0.00 N ATOM 372 CA LEU A 25 130.799 0.367 2.542 1.00 0.00 C ATOM 373 C LEU A 25 130.470 1.047 3.843 1.00 0.00 C ATOM 374 O LEU A 25 129.334 1.327 4.129 1.00 0.00 O ATOM 375 CB LEU A 25 130.915 -1.180 2.691 1.00 0.00 C ATOM 376 CG LEU A 25 130.132 -1.885 3.821 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.838 -3.320 3.418 1.00 0.00 C ATOM 378 CD2 LEU A 25 130.980 -1.911 5.103 1.00 0.00 C ATOM 0 H LEU A 25 132.744 0.167 1.895 1.00 0.00 H new ATOM 0 HA LEU A 25 129.985 0.567 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.603 -1.626 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 25 131.970 -1.420 2.823 1.00 0.00 H new ATOM 0 HG LEU A 25 129.203 -1.342 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.286 -3.816 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.242 -3.327 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.775 -3.848 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.424 -2.409 5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 131.907 -2.452 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.211 -0.890 5.407 1.00 0.00 H new ATOM 390 N GLU A 26 131.501 1.350 4.595 1.00 0.00 N ATOM 391 CA GLU A 26 131.364 2.024 5.834 1.00 0.00 C ATOM 392 C GLU A 26 131.115 3.517 5.637 1.00 0.00 C ATOM 393 O GLU A 26 130.325 4.105 6.369 1.00 0.00 O ATOM 394 CB GLU A 26 132.551 1.737 6.706 1.00 0.00 C ATOM 395 CG GLU A 26 132.491 2.357 8.072 1.00 0.00 C ATOM 396 CD GLU A 26 133.562 1.829 8.958 1.00 0.00 C ATOM 397 OE1 GLU A 26 133.335 0.793 9.616 1.00 0.00 O ATOM 398 OE2 GLU A 26 134.648 2.416 9.027 1.00 0.00 O ATOM 0 H GLU A 26 132.465 1.126 4.348 1.00 0.00 H new ATOM 0 HA GLU A 26 130.481 1.645 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.651 0.657 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.450 2.090 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.589 3.439 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 26 131.517 2.160 8.520 1.00 0.00 H new ATOM 405 N ALA A 27 131.741 4.127 4.625 1.00 0.00 N ATOM 406 CA ALA A 27 131.472 5.541 4.345 1.00 0.00 C ATOM 407 C ALA A 27 129.998 5.681 3.955 1.00 0.00 C ATOM 408 O ALA A 27 129.257 6.553 4.454 1.00 0.00 O ATOM 409 CB ALA A 27 132.381 6.082 3.216 1.00 0.00 C ATOM 0 H ALA A 27 132.416 3.681 4.004 1.00 0.00 H new ATOM 0 HA ALA A 27 131.687 6.129 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.152 7.133 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.426 5.983 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.206 5.512 2.304 1.00 0.00 H new ATOM 415 N PHE A 28 129.559 4.752 3.136 1.00 0.00 N ATOM 416 CA PHE A 28 128.228 4.757 2.630 1.00 0.00 C ATOM 417 C PHE A 28 127.234 4.315 3.701 1.00 0.00 C ATOM 418 O PHE A 28 126.132 4.837 3.771 1.00 0.00 O ATOM 419 CB PHE A 28 128.138 3.858 1.403 1.00 0.00 C ATOM 420 CG PHE A 28 126.849 3.973 0.671 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.654 4.991 -0.240 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.831 3.074 0.895 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.467 5.107 -0.915 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.647 3.183 0.225 1.00 0.00 C ATOM 425 CZ PHE A 28 124.464 4.200 -0.680 1.00 0.00 C ATOM 0 H PHE A 28 130.128 3.972 2.807 1.00 0.00 H new ATOM 0 HA PHE A 28 127.969 5.775 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.955 4.103 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.279 2.822 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.445 5.703 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.971 2.275 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.322 5.906 -1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.855 2.471 0.406 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.526 4.286 -1.209 1.00 0.00 H new ATOM 435 N THR A 29 127.624 3.357 4.533 1.00 0.00 N ATOM 436 CA THR A 29 126.738 2.867 5.569 1.00 0.00 C ATOM 437 C THR A 29 126.437 3.968 6.582 1.00 0.00 C ATOM 438 O THR A 29 125.317 4.068 7.052 1.00 0.00 O ATOM 439 CB THR A 29 127.244 1.552 6.278 1.00 0.00 C ATOM 440 OG1 THR A 29 126.175 0.931 6.972 1.00 0.00 O ATOM 441 CG2 THR A 29 128.343 1.816 7.290 1.00 0.00 C ATOM 0 H THR A 29 128.541 2.910 4.508 1.00 0.00 H new ATOM 0 HA THR A 29 125.813 2.583 5.068 1.00 0.00 H new ATOM 0 HB THR A 29 127.636 0.914 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.333 -0.035 7.020 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.652 0.875 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.196 2.274 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.972 2.489 8.063 1.00 0.00 H new ATOM 449 N ARG A 30 127.427 4.836 6.867 1.00 0.00 N ATOM 450 CA ARG A 30 127.203 5.966 7.772 1.00 0.00 C ATOM 451 C ARG A 30 126.134 6.853 7.170 1.00 0.00 C ATOM 452 O ARG A 30 125.150 7.214 7.829 1.00 0.00 O ATOM 453 CB ARG A 30 128.468 6.809 7.973 1.00 0.00 C ATOM 454 CG ARG A 30 129.637 6.114 8.640 1.00 0.00 C ATOM 455 CD ARG A 30 130.785 7.088 8.801 1.00 0.00 C ATOM 456 NE ARG A 30 131.969 6.494 9.429 1.00 0.00 N ATOM 457 CZ ARG A 30 133.124 7.145 9.635 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.183 8.467 9.464 1.00 0.00 N ATOM 459 NH2 ARG A 30 134.187 6.493 10.097 1.00 0.00 N ATOM 0 H ARG A 30 128.372 4.774 6.488 1.00 0.00 H new ATOM 0 HA ARG A 30 126.905 5.567 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.796 7.172 6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.205 7.684 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.336 5.728 9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.954 5.259 8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.060 7.479 7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.452 7.935 9.400 1.00 0.00 H new ATOM 0 HE ARG A 30 131.911 5.521 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.351 8.982 9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.061 8.963 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 30 134.126 5.494 10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 30 135.063 6.991 10.252 1.00 0.00 H new ATOM 473 N PHE A 31 126.318 7.147 5.889 1.00 0.00 N ATOM 474 CA PHE A 31 125.402 7.969 5.122 1.00 0.00 C ATOM 475 C PHE A 31 123.990 7.339 5.069 1.00 0.00 C ATOM 476 O PHE A 31 122.981 8.042 5.164 1.00 0.00 O ATOM 477 CB PHE A 31 125.971 8.162 3.704 1.00 0.00 C ATOM 478 CG PHE A 31 125.136 9.019 2.801 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.248 10.394 2.840 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.241 8.449 1.910 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.483 11.186 2.014 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.474 9.235 1.084 1.00 0.00 C ATOM 483 CZ PHE A 31 123.597 10.604 1.136 1.00 0.00 C ATOM 0 H PHE A 31 127.118 6.815 5.351 1.00 0.00 H new ATOM 0 HA PHE A 31 125.301 8.939 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.964 8.603 3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.094 7.183 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.944 10.854 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.145 7.374 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.578 12.261 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.777 8.779 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.997 11.224 0.486 1.00 0.00 H new ATOM 493 N LEU A 32 123.938 6.029 4.940 1.00 0.00 N ATOM 494 CA LEU A 32 122.681 5.309 4.823 1.00 0.00 C ATOM 495 C LEU A 32 121.972 5.236 6.186 1.00 0.00 C ATOM 496 O LEU A 32 120.750 5.429 6.284 1.00 0.00 O ATOM 497 CB LEU A 32 122.948 3.901 4.287 1.00 0.00 C ATOM 498 CG LEU A 32 121.876 3.308 3.387 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.637 4.212 2.186 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.304 1.936 2.919 1.00 0.00 C ATOM 0 H LEU A 32 124.764 5.431 4.913 1.00 0.00 H new ATOM 0 HA LEU A 32 122.030 5.841 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.888 3.918 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.090 3.233 5.136 1.00 0.00 H new ATOM 0 HG LEU A 32 120.948 3.223 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.867 3.776 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.311 5.194 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.562 4.315 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.533 1.515 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.238 2.016 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.450 1.286 3.782 1.00 0.00 H new ATOM 512 N LYS A 33 122.750 4.965 7.228 1.00 0.00 N ATOM 513 CA LYS A 33 122.258 4.877 8.603 1.00 0.00 C ATOM 514 C LYS A 33 121.693 6.200 9.083 1.00 0.00 C ATOM 515 O LYS A 33 120.632 6.236 9.700 1.00 0.00 O ATOM 516 CB LYS A 33 123.369 4.411 9.556 1.00 0.00 C ATOM 517 CG LYS A 33 123.689 2.917 9.512 1.00 0.00 C ATOM 518 CD LYS A 33 124.972 2.623 10.271 1.00 0.00 C ATOM 519 CE LYS A 33 125.179 1.122 10.553 1.00 0.00 C ATOM 520 NZ LYS A 33 125.104 0.248 9.353 1.00 0.00 N ATOM 0 H LYS A 33 123.753 4.798 7.143 1.00 0.00 H new ATOM 0 HA LYS A 33 121.454 4.141 8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.278 4.967 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.084 4.674 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.865 2.350 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.790 2.591 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.820 2.999 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.960 3.166 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.152 0.986 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 33 124.428 0.794 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.777 -0.538 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.140 -0.131 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 125.342 0.801 8.505 1.00 0.00 H new ATOM 534 N THR A 34 122.357 7.293 8.737 1.00 0.00 N ATOM 535 CA THR A 34 121.950 8.609 9.201 1.00 0.00 C ATOM 536 C THR A 34 120.616 9.080 8.549 1.00 0.00 C ATOM 537 O THR A 34 120.086 10.140 8.885 1.00 0.00 O ATOM 538 CB THR A 34 123.095 9.663 9.029 1.00 0.00 C ATOM 539 OG1 THR A 34 122.813 10.862 9.769 1.00 0.00 O ATOM 540 CG2 THR A 34 123.316 10.029 7.575 1.00 0.00 C ATOM 0 H THR A 34 123.181 7.293 8.136 1.00 0.00 H new ATOM 0 HA THR A 34 121.755 8.521 10.270 1.00 0.00 H new ATOM 0 HB THR A 34 124.001 9.196 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 121.843 10.993 9.822 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.119 10.763 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.588 9.136 7.012 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.400 10.452 7.163 1.00 0.00 H new ATOM 548 N GLU A 35 120.084 8.289 7.632 1.00 0.00 N ATOM 549 CA GLU A 35 118.784 8.559 7.060 1.00 0.00 C ATOM 550 C GLU A 35 117.945 7.290 7.044 1.00 0.00 C ATOM 551 O GLU A 35 117.072 7.110 6.183 1.00 0.00 O ATOM 552 CB GLU A 35 118.885 9.187 5.675 1.00 0.00 C ATOM 553 CG GLU A 35 119.658 8.399 4.647 1.00 0.00 C ATOM 554 CD GLU A 35 119.577 9.070 3.317 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.251 10.099 3.117 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.798 8.617 2.454 1.00 0.00 O ATOM 0 H GLU A 35 120.539 7.451 7.269 1.00 0.00 H new ATOM 0 HA GLU A 35 118.285 9.294 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.876 9.349 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.349 10.168 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.700 8.309 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.258 7.387 4.577 1.00 0.00 H new ATOM 563 N PHE A 36 118.233 6.415 8.028 1.00 0.00 N ATOM 564 CA PHE A 36 117.512 5.145 8.314 1.00 0.00 C ATOM 565 C PHE A 36 117.304 4.215 7.098 1.00 0.00 C ATOM 566 O PHE A 36 116.476 3.307 7.135 1.00 0.00 O ATOM 567 CB PHE A 36 116.188 5.370 9.126 1.00 0.00 C ATOM 568 CG PHE A 36 115.160 6.299 8.508 1.00 0.00 C ATOM 569 CD1 PHE A 36 114.257 5.835 7.565 1.00 0.00 C ATOM 570 CD2 PHE A 36 115.103 7.636 8.881 1.00 0.00 C ATOM 571 CE1 PHE A 36 113.323 6.680 7.004 1.00 0.00 C ATOM 572 CE2 PHE A 36 114.171 8.485 8.322 1.00 0.00 C ATOM 573 CZ PHE A 36 113.279 8.007 7.382 1.00 0.00 C ATOM 0 H PHE A 36 119.005 6.574 8.675 1.00 0.00 H new ATOM 0 HA PHE A 36 118.199 4.595 8.957 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.718 4.400 9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.453 5.761 10.108 1.00 0.00 H new ATOM 0 HD1 PHE A 36 114.285 4.798 7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 36 115.796 8.015 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 36 112.626 6.304 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 36 114.139 9.523 8.619 1.00 0.00 H new ATOM 0 HZ PHE A 36 112.548 8.670 6.943 1.00 0.00 H new ATOM 583 N SER A 37 118.121 4.373 6.078 1.00 0.00 N ATOM 584 CA SER A 37 118.022 3.553 4.885 1.00 0.00 C ATOM 585 C SER A 37 119.009 2.366 5.018 1.00 0.00 C ATOM 586 O SER A 37 119.176 1.544 4.110 1.00 0.00 O ATOM 587 CB SER A 37 118.328 4.429 3.645 1.00 0.00 C ATOM 588 OG SER A 37 118.085 3.745 2.425 1.00 0.00 O ATOM 0 H SER A 37 118.868 5.067 6.050 1.00 0.00 H new ATOM 0 HA SER A 37 117.017 3.147 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 37 117.716 5.331 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 37 119.370 4.749 3.678 1.00 0.00 H new ATOM 0 HG SER A 37 118.374 2.812 2.510 1.00 0.00 H new ATOM 594 N GLU A 38 119.600 2.274 6.209 1.00 0.00 N ATOM 595 CA GLU A 38 120.601 1.269 6.602 1.00 0.00 C ATOM 596 C GLU A 38 120.128 -0.179 6.335 1.00 0.00 C ATOM 597 O GLU A 38 120.927 -1.072 6.112 1.00 0.00 O ATOM 598 CB GLU A 38 120.883 1.444 8.087 1.00 0.00 C ATOM 599 CG GLU A 38 119.629 1.330 8.946 1.00 0.00 C ATOM 600 CD GLU A 38 119.864 1.614 10.394 1.00 0.00 C ATOM 601 OE1 GLU A 38 120.436 0.763 11.101 1.00 0.00 O ATOM 602 OE2 GLU A 38 119.460 2.681 10.861 1.00 0.00 O ATOM 0 H GLU A 38 119.388 2.926 6.964 1.00 0.00 H new ATOM 0 HA GLU A 38 121.497 1.424 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.605 0.692 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.343 2.418 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 38 118.876 2.021 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.220 0.325 8.844 1.00 0.00 H new ATOM 609 N GLU A 39 118.826 -0.371 6.334 1.00 0.00 N ATOM 610 CA GLU A 39 118.196 -1.664 6.101 1.00 0.00 C ATOM 611 C GLU A 39 118.605 -2.292 4.759 1.00 0.00 C ATOM 612 O GLU A 39 118.592 -3.494 4.615 1.00 0.00 O ATOM 613 CB GLU A 39 116.682 -1.512 6.216 1.00 0.00 C ATOM 614 CG GLU A 39 116.134 -0.319 5.447 1.00 0.00 C ATOM 615 CD GLU A 39 114.670 -0.099 5.680 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.264 0.117 6.831 1.00 0.00 O ATOM 617 OE2 GLU A 39 113.898 -0.134 4.729 1.00 0.00 O ATOM 0 H GLU A 39 118.157 0.381 6.498 1.00 0.00 H new ATOM 0 HA GLU A 39 118.548 -2.357 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.204 -2.421 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.413 -1.411 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.682 0.577 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.309 -0.468 4.382 1.00 0.00 H new ATOM 624 N ASN A 40 118.999 -1.464 3.810 1.00 0.00 N ATOM 625 CA ASN A 40 119.441 -1.940 2.494 1.00 0.00 C ATOM 626 C ASN A 40 120.883 -2.450 2.551 1.00 0.00 C ATOM 627 O ASN A 40 121.236 -3.523 1.973 1.00 0.00 O ATOM 628 CB ASN A 40 119.385 -0.817 1.472 1.00 0.00 C ATOM 629 CG ASN A 40 118.002 -0.353 1.066 1.00 0.00 C ATOM 630 OD1 ASN A 40 117.042 -0.410 1.827 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.896 0.113 -0.151 1.00 0.00 N ATOM 0 H ASN A 40 119.025 -0.450 3.918 1.00 0.00 H new ATOM 0 HA ASN A 40 118.771 -2.750 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.930 0.038 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.914 -1.142 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.994 0.443 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 40 118.715 0.146 -0.758 1.00 0.00 H new ATOM 638 N ILE A 41 121.715 -1.697 3.266 1.00 0.00 N ATOM 639 CA ILE A 41 123.130 -2.007 3.383 1.00 0.00 C ATOM 640 C ILE A 41 123.237 -3.346 4.138 1.00 0.00 C ATOM 641 O ILE A 41 123.902 -4.278 3.706 1.00 0.00 O ATOM 642 CB ILE A 41 123.918 -0.815 4.114 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.370 -0.681 3.618 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.917 -0.910 5.638 1.00 0.00 C ATOM 645 CD1 ILE A 41 125.498 -0.164 2.212 1.00 0.00 C ATOM 0 H ILE A 41 121.427 -0.862 3.776 1.00 0.00 H new ATOM 0 HA ILE A 41 123.598 -2.106 2.404 1.00 0.00 H new ATOM 0 HB ILE A 41 123.357 0.078 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.911 -0.013 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.854 -1.656 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.470 -0.068 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.890 -0.887 6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.390 -1.843 5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.552 -0.100 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 124.989 -0.842 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 41 125.046 0.826 2.146 1.00 0.00 H new ATOM 657 N GLU A 42 122.438 -3.453 5.184 1.00 0.00 N ATOM 658 CA GLU A 42 122.362 -4.619 6.008 1.00 0.00 C ATOM 659 C GLU A 42 121.625 -5.769 5.298 1.00 0.00 C ATOM 660 O GLU A 42 121.823 -6.939 5.643 1.00 0.00 O ATOM 661 CB GLU A 42 121.680 -4.266 7.321 1.00 0.00 C ATOM 662 CG GLU A 42 122.592 -3.829 8.482 1.00 0.00 C ATOM 663 CD GLU A 42 123.530 -2.693 8.285 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.140 -1.521 8.571 1.00 0.00 O ATOM 665 OE2 GLU A 42 124.697 -2.938 7.956 1.00 0.00 O ATOM 0 H GLU A 42 121.812 -2.705 5.482 1.00 0.00 H new ATOM 0 HA GLU A 42 123.375 -4.967 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 42 120.967 -3.464 7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.105 -5.132 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 121.950 -3.580 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.185 -4.695 8.776 1.00 0.00 H new ATOM 672 N PHE A 43 120.782 -5.425 4.317 1.00 0.00 N ATOM 673 CA PHE A 43 120.043 -6.394 3.507 1.00 0.00 C ATOM 674 C PHE A 43 121.002 -7.346 2.805 1.00 0.00 C ATOM 675 O PHE A 43 120.918 -8.575 2.998 1.00 0.00 O ATOM 676 CB PHE A 43 119.149 -5.659 2.495 1.00 0.00 C ATOM 677 CG PHE A 43 118.379 -6.516 1.541 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.177 -7.074 1.903 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.851 -6.740 0.269 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.460 -7.842 1.010 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.139 -7.499 -0.623 1.00 0.00 C ATOM 682 CZ PHE A 43 116.945 -8.052 -0.259 1.00 0.00 C ATOM 0 H PHE A 43 120.594 -4.455 4.063 1.00 0.00 H new ATOM 0 HA PHE A 43 119.404 -6.989 4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.440 -5.043 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.775 -4.981 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.790 -6.909 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.796 -6.312 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.518 -8.278 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.524 -7.660 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.386 -8.650 -0.963 1.00 0.00 H new ATOM 692 N TRP A 44 121.936 -6.819 2.006 1.00 0.00 N ATOM 693 CA TRP A 44 122.889 -7.757 1.396 1.00 0.00 C ATOM 694 C TRP A 44 123.958 -8.251 2.329 1.00 0.00 C ATOM 695 O TRP A 44 124.509 -9.315 2.117 1.00 0.00 O ATOM 696 CB TRP A 44 123.390 -7.455 -0.037 1.00 0.00 C ATOM 697 CG TRP A 44 123.705 -6.066 -0.347 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.100 -5.306 -1.296 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.683 -5.261 0.268 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.657 -4.075 -1.328 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.628 -4.014 -0.346 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.607 -5.475 1.293 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.455 -2.990 0.034 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.429 -4.453 1.666 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.350 -3.227 1.043 1.00 0.00 C ATOM 0 H TRP A 44 122.053 -5.832 1.778 1.00 0.00 H new ATOM 0 HA TRP A 44 122.236 -8.609 1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 44 124.283 -8.054 -0.217 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.630 -7.796 -0.741 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.292 -5.637 -1.932 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.404 -3.321 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.670 -6.435 1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.403 -2.025 -0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.148 -4.606 2.457 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.010 -2.433 1.358 1.00 0.00 H new ATOM 716 N ILE A 45 124.223 -7.498 3.380 1.00 0.00 N ATOM 717 CA ILE A 45 125.123 -7.961 4.440 1.00 0.00 C ATOM 718 C ILE A 45 124.590 -9.276 5.021 1.00 0.00 C ATOM 719 O ILE A 45 125.342 -10.241 5.208 1.00 0.00 O ATOM 720 CB ILE A 45 125.306 -6.873 5.549 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.230 -5.762 5.032 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.808 -7.449 6.874 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.453 -4.628 6.002 1.00 0.00 C ATOM 0 H ILE A 45 123.834 -6.567 3.530 1.00 0.00 H new ATOM 0 HA ILE A 45 126.110 -8.141 4.014 1.00 0.00 H new ATOM 0 HB ILE A 45 124.324 -6.453 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.195 -6.200 4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.810 -5.358 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.915 -6.646 7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.093 -8.183 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.774 -7.929 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.118 -3.890 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.498 -4.159 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.905 -5.014 6.916 1.00 0.00 H new ATOM 735 N ALA A 46 123.273 -9.323 5.233 1.00 0.00 N ATOM 736 CA ALA A 46 122.611 -10.522 5.703 1.00 0.00 C ATOM 737 C ALA A 46 122.766 -11.628 4.691 1.00 0.00 C ATOM 738 O ALA A 46 123.102 -12.745 5.041 1.00 0.00 O ATOM 739 CB ALA A 46 121.121 -10.281 5.933 1.00 0.00 C ATOM 0 H ALA A 46 122.647 -8.532 5.082 1.00 0.00 H new ATOM 0 HA ALA A 46 123.076 -10.804 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.654 -11.201 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.990 -9.498 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.654 -9.972 4.998 1.00 0.00 H new ATOM 745 N CYS A 47 122.551 -11.304 3.438 1.00 0.00 N ATOM 746 CA CYS A 47 122.554 -12.291 2.378 1.00 0.00 C ATOM 747 C CYS A 47 123.950 -12.822 2.011 1.00 0.00 C ATOM 748 O CYS A 47 124.080 -13.983 1.596 1.00 0.00 O ATOM 749 CB CYS A 47 121.819 -11.760 1.171 1.00 0.00 C ATOM 750 SG CYS A 47 120.117 -11.284 1.544 1.00 0.00 S ATOM 0 H CYS A 47 122.369 -10.351 3.122 1.00 0.00 H new ATOM 0 HA CYS A 47 122.024 -13.161 2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.355 -10.897 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 47 121.816 -12.520 0.389 1.00 0.00 H new ATOM 0 HG CYS A 47 120.113 -10.149 2.177 1.00 0.00 H new ATOM 756 N GLU A 48 124.981 -12.013 2.138 1.00 0.00 N ATOM 757 CA GLU A 48 126.315 -12.513 1.871 1.00 0.00 C ATOM 758 C GLU A 48 126.755 -13.385 3.039 1.00 0.00 C ATOM 759 O GLU A 48 127.270 -14.483 2.843 1.00 0.00 O ATOM 760 CB GLU A 48 127.336 -11.400 1.608 1.00 0.00 C ATOM 761 CG GLU A 48 126.954 -10.435 0.496 1.00 0.00 C ATOM 762 CD GLU A 48 126.765 -11.119 -0.827 1.00 0.00 C ATOM 763 OE1 GLU A 48 127.768 -11.411 -1.515 1.00 0.00 O ATOM 764 OE2 GLU A 48 125.616 -11.373 -1.217 1.00 0.00 O ATOM 0 H GLU A 48 124.927 -11.033 2.416 1.00 0.00 H new ATOM 0 HA GLU A 48 126.274 -13.099 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.480 -10.834 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.295 -11.856 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.033 -9.920 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 127.728 -9.674 0.399 1.00 0.00 H new ATOM 771 N ASP A 49 126.467 -12.930 4.260 1.00 0.00 N ATOM 772 CA ASP A 49 126.796 -13.700 5.474 1.00 0.00 C ATOM 773 C ASP A 49 125.983 -14.992 5.503 1.00 0.00 C ATOM 774 O ASP A 49 126.408 -16.007 6.043 1.00 0.00 O ATOM 775 CB ASP A 49 126.533 -12.870 6.731 1.00 0.00 C ATOM 776 CG ASP A 49 126.976 -13.562 8.004 1.00 0.00 C ATOM 777 OD1 ASP A 49 128.175 -13.499 8.344 1.00 0.00 O ATOM 778 OD2 ASP A 49 126.136 -14.146 8.704 1.00 0.00 O ATOM 0 H ASP A 49 126.009 -12.037 4.440 1.00 0.00 H new ATOM 0 HA ASP A 49 127.857 -13.950 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 49 127.052 -11.915 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 49 125.468 -12.649 6.797 1.00 0.00 H new ATOM 783 N PHE A 50 124.816 -14.926 4.900 1.00 0.00 N ATOM 784 CA PHE A 50 123.946 -16.069 4.663 1.00 0.00 C ATOM 785 C PHE A 50 124.675 -17.125 3.829 1.00 0.00 C ATOM 786 O PHE A 50 124.640 -18.306 4.142 1.00 0.00 O ATOM 787 CB PHE A 50 122.670 -15.567 3.954 1.00 0.00 C ATOM 788 CG PHE A 50 121.868 -16.586 3.216 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.987 -17.389 3.867 1.00 0.00 C ATOM 790 CD2 PHE A 50 122.004 -16.720 1.849 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.249 -18.319 3.182 1.00 0.00 C ATOM 792 CE2 PHE A 50 121.271 -17.644 1.158 1.00 0.00 C ATOM 793 CZ PHE A 50 120.390 -18.447 1.827 1.00 0.00 C ATOM 0 H PHE A 50 124.430 -14.050 4.548 1.00 0.00 H new ATOM 0 HA PHE A 50 123.669 -16.540 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 50 122.026 -15.103 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.957 -14.785 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.867 -17.294 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.699 -16.086 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.554 -18.953 3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 50 121.387 -17.739 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.807 -19.180 1.288 1.00 0.00 H new ATOM 803 N LYS A 51 125.357 -16.671 2.790 1.00 0.00 N ATOM 804 CA LYS A 51 126.140 -17.547 1.911 1.00 0.00 C ATOM 805 C LYS A 51 127.276 -18.202 2.691 1.00 0.00 C ATOM 806 O LYS A 51 127.718 -19.308 2.372 1.00 0.00 O ATOM 807 CB LYS A 51 126.725 -16.738 0.757 1.00 0.00 C ATOM 808 CG LYS A 51 125.690 -16.046 -0.096 1.00 0.00 C ATOM 809 CD LYS A 51 126.337 -15.174 -1.141 1.00 0.00 C ATOM 810 CE LYS A 51 125.317 -14.574 -2.084 1.00 0.00 C ATOM 811 NZ LYS A 51 124.385 -13.627 -1.446 1.00 0.00 N ATOM 0 H LYS A 51 125.388 -15.686 2.526 1.00 0.00 H new ATOM 0 HA LYS A 51 125.481 -18.321 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 51 127.407 -15.990 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.317 -17.401 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 51 125.058 -16.790 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 125.041 -15.440 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 51 126.895 -14.375 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.056 -15.762 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 51 125.842 -14.062 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 51 124.742 -15.380 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 123.720 -13.262 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 123.855 -14.114 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 124.921 -12.836 -1.035 1.00 0.00 H new ATOM 825 N LYS A 52 127.755 -17.498 3.699 1.00 0.00 N ATOM 826 CA LYS A 52 128.810 -18.001 4.574 1.00 0.00 C ATOM 827 C LYS A 52 128.342 -19.211 5.397 1.00 0.00 C ATOM 828 O LYS A 52 129.150 -20.097 5.705 1.00 0.00 O ATOM 829 CB LYS A 52 129.332 -16.904 5.524 1.00 0.00 C ATOM 830 CG LYS A 52 130.437 -15.936 5.023 1.00 0.00 C ATOM 831 CD LYS A 52 130.095 -15.084 3.795 1.00 0.00 C ATOM 832 CE LYS A 52 130.224 -15.836 2.473 1.00 0.00 C ATOM 833 NZ LYS A 52 131.602 -16.305 2.226 1.00 0.00 N ATOM 0 H LYS A 52 127.428 -16.562 3.938 1.00 0.00 H new ATOM 0 HA LYS A 52 129.624 -18.318 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.478 -16.299 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.709 -17.397 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.700 -15.265 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 52 131.326 -16.523 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.075 -14.713 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.751 -14.213 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 52 129.547 -16.690 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 52 129.912 -15.185 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 131.722 -16.514 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 132.276 -15.566 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 131.780 -17.167 2.781 1.00 0.00 H new ATOM 847 N SER A 53 127.049 -19.252 5.729 1.00 0.00 N ATOM 848 CA SER A 53 126.487 -20.332 6.531 1.00 0.00 C ATOM 849 C SER A 53 126.610 -21.641 5.814 1.00 0.00 C ATOM 850 O SER A 53 126.095 -21.825 4.717 1.00 0.00 O ATOM 851 CB SER A 53 125.038 -20.054 6.900 1.00 0.00 C ATOM 852 OG SER A 53 124.917 -18.848 7.652 1.00 0.00 O ATOM 0 H SER A 53 126.371 -18.543 5.451 1.00 0.00 H new ATOM 0 HA SER A 53 127.059 -20.390 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.437 -19.982 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.642 -20.888 7.479 1.00 0.00 H new ATOM 0 HG SER A 53 124.121 -18.358 7.359 1.00 0.00 H new ATOM 858 N LYS A 54 127.281 -22.532 6.443 1.00 0.00 N ATOM 859 CA LYS A 54 127.606 -23.770 5.890 1.00 0.00 C ATOM 860 C LYS A 54 126.649 -24.813 6.398 1.00 0.00 C ATOM 861 O LYS A 54 126.630 -25.142 7.592 1.00 0.00 O ATOM 862 CB LYS A 54 129.036 -24.109 6.263 1.00 0.00 C ATOM 863 CG LYS A 54 129.531 -25.419 5.733 1.00 0.00 C ATOM 864 CD LYS A 54 129.574 -25.443 4.213 1.00 0.00 C ATOM 865 CE LYS A 54 130.248 -26.702 3.684 1.00 0.00 C ATOM 866 NZ LYS A 54 129.533 -27.943 4.052 1.00 0.00 N ATOM 0 H LYS A 54 127.627 -22.403 7.394 1.00 0.00 H new ATOM 0 HA LYS A 54 127.524 -23.738 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 54 129.689 -23.316 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.121 -24.118 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.529 -25.615 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 54 128.885 -26.221 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.559 -25.382 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 54 130.109 -24.565 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.319 -26.640 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 54 131.267 -26.750 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 130.021 -28.761 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 129.516 -28.040 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 128.558 -27.901 3.693 1.00 0.00 H new ATOM 880 N GLY A 55 125.845 -25.279 5.523 1.00 0.00 N ATOM 881 CA GLY A 55 124.895 -26.301 5.835 1.00 0.00 C ATOM 882 C GLY A 55 123.614 -26.064 5.095 1.00 0.00 C ATOM 883 O GLY A 55 123.029 -25.000 5.228 1.00 0.00 O ATOM 0 H GLY A 55 125.819 -24.965 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.301 -27.277 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.706 -26.315 6.908 1.00 0.00 H new ATOM 887 N PRO A 56 123.139 -27.035 4.311 1.00 0.00 N ATOM 888 CA PRO A 56 121.950 -26.868 3.482 1.00 0.00 C ATOM 889 C PRO A 56 120.669 -26.600 4.289 1.00 0.00 C ATOM 890 O PRO A 56 119.798 -25.868 3.830 1.00 0.00 O ATOM 891 CB PRO A 56 121.844 -28.174 2.692 1.00 0.00 C ATOM 892 CG PRO A 56 123.173 -28.837 2.846 1.00 0.00 C ATOM 893 CD PRO A 56 123.724 -28.374 4.159 1.00 0.00 C ATOM 0 HA PRO A 56 122.047 -25.990 2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.043 -28.804 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.620 -27.982 1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 56 123.071 -29.922 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.840 -28.566 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.433 -29.036 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.813 -28.339 4.150 1.00 0.00 H new ATOM 901 N GLN A 57 120.566 -27.151 5.503 1.00 0.00 N ATOM 902 CA GLN A 57 119.380 -26.905 6.329 1.00 0.00 C ATOM 903 C GLN A 57 119.453 -25.497 6.858 1.00 0.00 C ATOM 904 O GLN A 57 118.450 -24.778 6.913 1.00 0.00 O ATOM 905 CB GLN A 57 119.267 -27.877 7.509 1.00 0.00 C ATOM 906 CG GLN A 57 119.164 -29.340 7.132 1.00 0.00 C ATOM 907 CD GLN A 57 118.892 -30.224 8.335 1.00 0.00 C ATOM 908 OE1 GLN A 57 118.241 -29.806 9.303 1.00 0.00 O ATOM 909 NE2 GLN A 57 119.375 -31.434 8.296 1.00 0.00 N ATOM 0 H GLN A 57 121.270 -27.755 5.927 1.00 0.00 H new ATOM 0 HA GLN A 57 118.500 -27.054 5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.137 -27.745 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.390 -27.608 8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 57 118.367 -29.470 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.091 -29.656 6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 57 119.906 -31.745 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 57 119.221 -32.070 9.079 1.00 0.00 H new ATOM 918 N GLN A 58 120.674 -25.094 7.181 1.00 0.00 N ATOM 919 CA GLN A 58 120.964 -23.776 7.697 1.00 0.00 C ATOM 920 C GLN A 58 120.550 -22.723 6.666 1.00 0.00 C ATOM 921 O GLN A 58 120.045 -21.659 7.022 1.00 0.00 O ATOM 922 CB GLN A 58 122.463 -23.674 8.031 1.00 0.00 C ATOM 923 CG GLN A 58 122.876 -22.403 8.751 1.00 0.00 C ATOM 924 CD GLN A 58 122.201 -22.237 10.103 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.964 -21.122 10.546 1.00 0.00 O ATOM 926 NE2 GLN A 58 121.904 -23.327 10.772 1.00 0.00 N ATOM 0 H GLN A 58 121.499 -25.687 7.088 1.00 0.00 H new ATOM 0 HA GLN A 58 120.399 -23.598 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.741 -24.529 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 58 123.032 -23.750 7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.957 -22.406 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.637 -21.544 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.115 -24.243 10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.463 -23.258 11.689 1.00 0.00 H new ATOM 935 N ILE A 59 120.733 -23.062 5.389 1.00 0.00 N ATOM 936 CA ILE A 59 120.341 -22.206 4.270 1.00 0.00 C ATOM 937 C ILE A 59 118.848 -21.876 4.361 1.00 0.00 C ATOM 938 O ILE A 59 118.459 -20.727 4.271 1.00 0.00 O ATOM 939 CB ILE A 59 120.572 -22.902 2.896 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.007 -23.430 2.740 1.00 0.00 C ATOM 941 CG2 ILE A 59 120.210 -21.973 1.750 1.00 0.00 C ATOM 942 CD1 ILE A 59 123.101 -22.406 2.906 1.00 0.00 C ATOM 0 H ILE A 59 121.160 -23.943 5.101 1.00 0.00 H new ATOM 0 HA ILE A 59 120.955 -21.308 4.333 1.00 0.00 H new ATOM 0 HB ILE A 59 119.910 -23.767 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.164 -24.224 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.103 -23.881 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.380 -22.482 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 59 119.160 -21.691 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.830 -21.078 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 59 124.071 -22.886 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.981 -21.621 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 59 123.043 -21.970 3.903 1.00 0.00 H new ATOM 954 N HIS A 60 118.035 -22.915 4.559 1.00 0.00 N ATOM 955 CA HIS A 60 116.559 -22.784 4.624 1.00 0.00 C ATOM 956 C HIS A 60 116.127 -21.752 5.635 1.00 0.00 C ATOM 957 O HIS A 60 115.462 -20.771 5.295 1.00 0.00 O ATOM 958 CB HIS A 60 115.872 -24.118 4.973 1.00 0.00 C ATOM 959 CG HIS A 60 115.928 -25.165 3.902 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.920 -25.370 2.996 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.874 -26.056 3.601 1.00 0.00 C ATOM 962 CE1 HIS A 60 115.248 -26.348 2.184 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.441 -26.782 2.528 1.00 0.00 N ATOM 0 H HIS A 60 118.369 -23.871 4.680 1.00 0.00 H new ATOM 0 HA HIS A 60 116.252 -22.469 3.627 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.332 -24.520 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.827 -23.919 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.816 -26.181 4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.644 -26.730 1.375 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.956 -27.534 2.071 1.00 0.00 H new ATOM 972 N LEU A 61 116.540 -21.958 6.861 1.00 0.00 N ATOM 973 CA LEU A 61 116.139 -21.112 7.964 1.00 0.00 C ATOM 974 C LEU A 61 116.697 -19.698 7.849 1.00 0.00 C ATOM 975 O LEU A 61 116.004 -18.723 8.178 1.00 0.00 O ATOM 976 CB LEU A 61 116.492 -21.790 9.286 1.00 0.00 C ATOM 977 CG LEU A 61 117.948 -22.174 9.497 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.661 -21.171 10.386 1.00 0.00 C ATOM 979 CD2 LEU A 61 118.052 -23.590 10.030 1.00 0.00 C ATOM 0 H LEU A 61 117.166 -22.719 7.126 1.00 0.00 H new ATOM 0 HA LEU A 61 115.057 -20.987 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 61 116.196 -21.125 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 61 115.887 -22.692 9.376 1.00 0.00 H new ATOM 0 HG LEU A 61 118.455 -22.149 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.700 -21.475 10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.627 -20.185 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.169 -21.132 11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 61 119.101 -23.848 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 117.526 -23.660 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 61 117.604 -24.281 9.316 1.00 0.00 H new ATOM 991 N LYS A 62 117.921 -19.582 7.363 1.00 0.00 N ATOM 992 CA LYS A 62 118.531 -18.278 7.143 1.00 0.00 C ATOM 993 C LYS A 62 117.816 -17.529 6.018 1.00 0.00 C ATOM 994 O LYS A 62 117.545 -16.328 6.137 1.00 0.00 O ATOM 995 CB LYS A 62 120.031 -18.394 6.837 1.00 0.00 C ATOM 996 CG LYS A 62 120.923 -18.767 8.013 1.00 0.00 C ATOM 997 CD LYS A 62 120.941 -17.671 9.064 1.00 0.00 C ATOM 998 CE LYS A 62 121.879 -18.006 10.215 1.00 0.00 C ATOM 999 NZ LYS A 62 123.294 -18.123 9.793 1.00 0.00 N ATOM 0 H LYS A 62 118.513 -20.374 7.113 1.00 0.00 H new ATOM 0 HA LYS A 62 118.424 -17.711 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.166 -19.139 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.374 -17.442 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.569 -19.696 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.937 -18.950 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.250 -16.732 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.933 -17.520 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.796 -17.234 10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.563 -18.944 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.882 -18.369 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.381 -18.866 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.614 -17.216 9.397 1.00 0.00 H new ATOM 1013 N ALA A 63 117.487 -18.244 4.942 1.00 0.00 N ATOM 1014 CA ALA A 63 116.791 -17.650 3.813 1.00 0.00 C ATOM 1015 C ALA A 63 115.422 -17.179 4.245 1.00 0.00 C ATOM 1016 O ALA A 63 115.066 -16.044 4.013 1.00 0.00 O ATOM 1017 CB ALA A 63 116.697 -18.615 2.622 1.00 0.00 C ATOM 0 H ALA A 63 117.694 -19.237 4.834 1.00 0.00 H new ATOM 0 HA ALA A 63 117.369 -16.791 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.169 -18.129 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.700 -18.890 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.155 -19.512 2.922 1.00 0.00 H new ATOM 1023 N LYS A 64 114.682 -18.053 4.924 1.00 0.00 N ATOM 1024 CA LYS A 64 113.351 -17.726 5.464 1.00 0.00 C ATOM 1025 C LYS A 64 113.388 -16.489 6.357 1.00 0.00 C ATOM 1026 O LYS A 64 112.517 -15.624 6.260 1.00 0.00 O ATOM 1027 CB LYS A 64 112.780 -18.908 6.249 1.00 0.00 C ATOM 1028 CG LYS A 64 112.234 -20.045 5.400 1.00 0.00 C ATOM 1029 CD LYS A 64 110.895 -19.675 4.770 1.00 0.00 C ATOM 1030 CE LYS A 64 110.334 -20.828 3.958 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.945 -20.586 3.517 1.00 0.00 N ATOM 0 H LYS A 64 114.982 -19.008 5.119 1.00 0.00 H new ATOM 0 HA LYS A 64 112.706 -17.512 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.561 -19.303 6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 64 111.982 -18.543 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 64 112.950 -20.293 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 64 112.114 -20.936 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.187 -19.398 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 64 111.020 -18.802 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 64 110.965 -20.994 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 64 110.369 -21.739 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.608 -21.402 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.335 -20.454 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.913 -19.732 2.924 1.00 0.00 H new ATOM 1045 N ALA A 65 114.417 -16.396 7.188 1.00 0.00 N ATOM 1046 CA ALA A 65 114.571 -15.278 8.107 1.00 0.00 C ATOM 1047 C ALA A 65 114.686 -13.962 7.348 1.00 0.00 C ATOM 1048 O ALA A 65 113.933 -13.018 7.607 1.00 0.00 O ATOM 1049 CB ALA A 65 115.785 -15.482 9.005 1.00 0.00 C ATOM 0 H ALA A 65 115.164 -17.089 7.244 1.00 0.00 H new ATOM 0 HA ALA A 65 113.681 -15.234 8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.882 -14.635 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.660 -16.398 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.683 -15.559 8.391 1.00 0.00 H new ATOM 1055 N ILE A 66 115.592 -13.922 6.386 1.00 0.00 N ATOM 1056 CA ILE A 66 115.825 -12.727 5.577 1.00 0.00 C ATOM 1057 C ILE A 66 114.609 -12.443 4.691 1.00 0.00 C ATOM 1058 O ILE A 66 114.170 -11.298 4.548 1.00 0.00 O ATOM 1059 CB ILE A 66 117.105 -12.891 4.710 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.326 -13.088 5.617 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.301 -11.684 3.793 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.614 -13.389 4.880 1.00 0.00 C ATOM 0 H ILE A 66 116.188 -14.712 6.140 1.00 0.00 H new ATOM 0 HA ILE A 66 115.975 -11.880 6.246 1.00 0.00 H new ATOM 0 HB ILE A 66 116.989 -13.772 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.467 -12.188 6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.120 -13.903 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.203 -11.823 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.440 -11.586 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.400 -10.781 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.424 -13.513 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.497 -14.306 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.849 -12.564 4.207 1.00 0.00 H new ATOM 1074 N TYR A 67 114.061 -13.498 4.145 1.00 0.00 N ATOM 1075 CA TYR A 67 112.882 -13.456 3.313 1.00 0.00 C ATOM 1076 C TYR A 67 111.724 -12.755 4.023 1.00 0.00 C ATOM 1077 O TYR A 67 111.251 -11.716 3.566 1.00 0.00 O ATOM 1078 CB TYR A 67 112.505 -14.894 2.941 1.00 0.00 C ATOM 1079 CG TYR A 67 111.182 -15.059 2.279 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.947 -14.541 1.034 1.00 0.00 C ATOM 1081 CD2 TYR A 67 110.169 -15.742 2.914 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.735 -14.691 0.425 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.952 -15.904 2.327 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.727 -15.385 1.086 1.00 0.00 C ATOM 1085 OH TYR A 67 107.504 -15.568 0.497 1.00 0.00 O ATOM 0 H TYR A 67 114.433 -14.440 4.270 1.00 0.00 H new ATOM 0 HA TYR A 67 113.093 -12.881 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.275 -15.293 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.516 -15.500 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.734 -14.004 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.343 -16.157 3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.561 -14.276 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 108.168 -16.441 2.841 1.00 0.00 H new ATOM 0 HH TYR A 67 106.923 -16.075 1.101 1.00 0.00 H new ATOM 1095 N GLU A 68 111.330 -13.274 5.161 1.00 0.00 N ATOM 1096 CA GLU A 68 110.170 -12.757 5.871 1.00 0.00 C ATOM 1097 C GLU A 68 110.429 -11.410 6.536 1.00 0.00 C ATOM 1098 O GLU A 68 109.495 -10.684 6.869 1.00 0.00 O ATOM 1099 CB GLU A 68 109.661 -13.766 6.878 1.00 0.00 C ATOM 1100 CG GLU A 68 109.253 -15.088 6.252 1.00 0.00 C ATOM 1101 CD GLU A 68 108.626 -16.028 7.232 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.346 -16.693 7.992 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.380 -16.114 7.268 1.00 0.00 O ATOM 0 H GLU A 68 111.793 -14.057 5.622 1.00 0.00 H new ATOM 0 HA GLU A 68 109.398 -12.588 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.436 -13.949 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.806 -13.343 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.552 -14.898 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 68 110.130 -15.562 5.812 1.00 0.00 H new ATOM 1110 N LYS A 69 111.682 -11.083 6.714 1.00 0.00 N ATOM 1111 CA LYS A 69 112.069 -9.838 7.345 1.00 0.00 C ATOM 1112 C LYS A 69 112.196 -8.704 6.315 1.00 0.00 C ATOM 1113 O LYS A 69 112.024 -7.533 6.653 1.00 0.00 O ATOM 1114 CB LYS A 69 113.401 -10.056 8.092 1.00 0.00 C ATOM 1115 CG LYS A 69 113.911 -8.901 8.946 1.00 0.00 C ATOM 1116 CD LYS A 69 115.146 -9.343 9.731 1.00 0.00 C ATOM 1117 CE LYS A 69 115.601 -8.320 10.772 1.00 0.00 C ATOM 1118 NZ LYS A 69 116.095 -7.053 10.188 1.00 0.00 N ATOM 0 H LYS A 69 112.467 -11.669 6.428 1.00 0.00 H new ATOM 0 HA LYS A 69 111.296 -9.538 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.290 -10.930 8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.167 -10.297 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.157 -8.049 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.131 -8.572 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 69 114.931 -10.288 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.963 -9.529 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 69 114.768 -8.101 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 69 116.391 -8.761 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 116.967 -6.763 10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 116.293 -7.191 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.373 -6.313 10.302 1.00 0.00 H new ATOM 1132 N PHE A 70 112.407 -9.049 5.050 1.00 0.00 N ATOM 1133 CA PHE A 70 112.728 -8.044 4.042 1.00 0.00 C ATOM 1134 C PHE A 70 111.961 -8.262 2.751 1.00 0.00 C ATOM 1135 O PHE A 70 111.212 -7.404 2.315 1.00 0.00 O ATOM 1136 CB PHE A 70 114.228 -8.069 3.709 1.00 0.00 C ATOM 1137 CG PHE A 70 115.170 -7.652 4.801 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.370 -6.312 5.082 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.879 -8.595 5.523 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.252 -5.921 6.064 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.766 -8.211 6.505 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.954 -6.872 6.776 1.00 0.00 C ATOM 0 H PHE A 70 112.363 -10.006 4.700 1.00 0.00 H new ATOM 0 HA PHE A 70 112.444 -7.082 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.491 -9.081 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.396 -7.421 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.827 -5.563 4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.736 -9.645 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.394 -4.872 6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.313 -8.957 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.650 -6.568 7.544 1.00 0.00 H new ATOM 1152 N ILE A 71 112.154 -9.436 2.166 1.00 0.00 N ATOM 1153 CA ILE A 71 111.602 -9.805 0.851 1.00 0.00 C ATOM 1154 C ILE A 71 110.076 -9.813 0.867 1.00 0.00 C ATOM 1155 O ILE A 71 109.415 -9.684 -0.169 1.00 0.00 O ATOM 1156 CB ILE A 71 112.168 -11.202 0.414 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.695 -11.150 0.295 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.532 -11.755 -0.869 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.207 -10.134 -0.703 1.00 0.00 C ATOM 0 H ILE A 71 112.708 -10.179 2.592 1.00 0.00 H new ATOM 0 HA ILE A 71 111.910 -9.054 0.124 1.00 0.00 H new ATOM 0 HB ILE A 71 111.893 -11.902 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.117 -10.924 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 71 114.060 -12.137 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.974 -12.722 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.459 -11.873 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.711 -11.062 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.296 -10.163 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.818 -10.369 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.876 -9.138 -0.410 1.00 0.00 H new ATOM 1171 N GLN A 72 109.532 -9.954 2.035 1.00 0.00 N ATOM 1172 CA GLN A 72 108.111 -9.952 2.201 1.00 0.00 C ATOM 1173 C GLN A 72 107.492 -8.619 1.993 1.00 0.00 C ATOM 1174 O GLN A 72 108.101 -7.572 2.217 1.00 0.00 O ATOM 1175 CB GLN A 72 107.727 -10.474 3.542 1.00 0.00 C ATOM 1176 CG GLN A 72 107.783 -11.938 3.606 1.00 0.00 C ATOM 1177 CD GLN A 72 106.647 -12.585 2.866 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.599 -12.841 3.431 1.00 0.00 O ATOM 1179 NE2 GLN A 72 106.821 -12.812 1.590 1.00 0.00 N ATOM 0 H GLN A 72 110.059 -10.074 2.900 1.00 0.00 H new ATOM 0 HA GLN A 72 107.726 -10.612 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.392 -10.054 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 72 106.718 -10.140 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.729 -12.282 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 72 107.762 -12.255 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 72 107.712 -12.585 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 72 106.066 -13.216 1.036 1.00 0.00 H new ATOM 1188 N THR A 73 106.286 -8.674 1.564 1.00 0.00 N ATOM 1189 CA THR A 73 105.486 -7.503 1.400 1.00 0.00 C ATOM 1190 C THR A 73 105.000 -7.125 2.789 1.00 0.00 C ATOM 1191 O THR A 73 105.065 -5.976 3.226 1.00 0.00 O ATOM 1192 CB THR A 73 104.284 -7.822 0.524 1.00 0.00 C ATOM 1193 OG1 THR A 73 104.711 -8.549 -0.639 1.00 0.00 O ATOM 1194 CG2 THR A 73 103.607 -6.549 0.106 1.00 0.00 C ATOM 0 H THR A 73 105.814 -9.542 1.311 1.00 0.00 H new ATOM 0 HA THR A 73 106.053 -6.698 0.933 1.00 0.00 H new ATOM 0 HB THR A 73 103.580 -8.432 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.120 -8.339 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 73 102.747 -6.783 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.274 -6.007 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.308 -5.932 -0.456 1.00 0.00 H new ATOM 1202 N ASP A 74 104.514 -8.122 3.462 1.00 0.00 N ATOM 1203 CA ASP A 74 104.165 -8.022 4.845 1.00 0.00 C ATOM 1204 C ASP A 74 105.386 -8.449 5.634 1.00 0.00 C ATOM 1205 O ASP A 74 105.598 -9.644 5.894 1.00 0.00 O ATOM 1206 CB ASP A 74 102.971 -8.919 5.171 1.00 0.00 C ATOM 1207 CG ASP A 74 102.517 -8.825 6.612 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.063 -9.528 7.482 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.549 -8.099 6.889 1.00 0.00 O ATOM 0 H ASP A 74 104.346 -9.044 3.059 1.00 0.00 H new ATOM 0 HA ASP A 74 103.873 -7.003 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.139 -8.653 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.233 -9.953 4.948 1.00 0.00 H new ATOM 1214 N ALA A 75 106.242 -7.495 5.883 1.00 0.00 N ATOM 1215 CA ALA A 75 107.478 -7.715 6.584 1.00 0.00 C ATOM 1216 C ALA A 75 107.726 -6.557 7.515 1.00 0.00 C ATOM 1217 O ALA A 75 107.212 -5.458 7.282 1.00 0.00 O ATOM 1218 CB ALA A 75 108.645 -7.833 5.598 1.00 0.00 C ATOM 0 H ALA A 75 106.097 -6.526 5.599 1.00 0.00 H new ATOM 0 HA ALA A 75 107.405 -8.645 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.571 -7.999 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.468 -8.671 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.727 -6.913 5.019 1.00 0.00 H new ATOM 1224 N PRO A 76 108.508 -6.775 8.582 1.00 0.00 N ATOM 1225 CA PRO A 76 108.864 -5.717 9.527 1.00 0.00 C ATOM 1226 C PRO A 76 109.717 -4.630 8.864 1.00 0.00 C ATOM 1227 O PRO A 76 109.693 -3.467 9.264 1.00 0.00 O ATOM 1228 CB PRO A 76 109.679 -6.450 10.605 1.00 0.00 C ATOM 1229 CG PRO A 76 110.136 -7.711 9.958 1.00 0.00 C ATOM 1230 CD PRO A 76 109.070 -8.083 8.983 1.00 0.00 C ATOM 0 HA PRO A 76 107.985 -5.206 9.920 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.525 -5.848 10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 76 109.071 -6.657 11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.092 -7.567 9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.281 -8.499 10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.476 -8.625 8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.314 -8.724 9.437 1.00 0.00 H new ATOM 1238 N LYS A 77 110.460 -5.007 7.841 1.00 0.00 N ATOM 1239 CA LYS A 77 111.294 -4.052 7.156 1.00 0.00 C ATOM 1240 C LYS A 77 110.746 -3.693 5.815 1.00 0.00 C ATOM 1241 O LYS A 77 110.497 -2.505 5.553 1.00 0.00 O ATOM 1242 CB LYS A 77 112.747 -4.524 7.036 1.00 0.00 C ATOM 1243 CG LYS A 77 113.581 -4.438 8.315 1.00 0.00 C ATOM 1244 CD LYS A 77 114.037 -3.000 8.632 1.00 0.00 C ATOM 1245 CE LYS A 77 112.900 -2.061 9.012 1.00 0.00 C ATOM 1246 NZ LYS A 77 113.365 -0.675 9.167 1.00 0.00 N ATOM 0 H LYS A 77 110.500 -5.957 7.473 1.00 0.00 H new ATOM 0 HA LYS A 77 111.291 -3.154 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.746 -5.559 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.239 -3.933 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.997 -4.822 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.457 -5.079 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.758 -3.030 9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.555 -2.594 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.125 -2.101 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 77 112.446 -2.398 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 112.714 -0.158 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.319 -0.673 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 113.391 -0.212 8.236 1.00 0.00 H new ATOM 1260 N GLU A 78 110.527 -4.716 4.988 1.00 0.00 N ATOM 1261 CA GLU A 78 110.097 -4.579 3.585 1.00 0.00 C ATOM 1262 C GLU A 78 111.266 -4.046 2.748 1.00 0.00 C ATOM 1263 O GLU A 78 112.232 -3.495 3.296 1.00 0.00 O ATOM 1264 CB GLU A 78 108.884 -3.655 3.421 1.00 0.00 C ATOM 1265 CG GLU A 78 107.632 -4.113 4.119 1.00 0.00 C ATOM 1266 CD GLU A 78 106.554 -3.084 4.011 1.00 0.00 C ATOM 1267 OE1 GLU A 78 105.943 -2.963 2.943 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.318 -2.339 5.005 1.00 0.00 O ATOM 0 H GLU A 78 110.645 -5.687 5.276 1.00 0.00 H new ATOM 0 HA GLU A 78 109.793 -5.567 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.148 -2.665 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.670 -3.548 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.290 -5.051 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 78 107.848 -4.310 5.169 1.00 0.00 H new ATOM 1275 N VAL A 79 111.207 -4.204 1.450 1.00 0.00 N ATOM 1276 CA VAL A 79 112.274 -3.733 0.575 1.00 0.00 C ATOM 1277 C VAL A 79 111.664 -3.105 -0.682 1.00 0.00 C ATOM 1278 O VAL A 79 110.608 -3.531 -1.140 1.00 0.00 O ATOM 1279 CB VAL A 79 113.254 -4.911 0.163 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.364 -4.435 -0.750 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.879 -5.568 1.373 1.00 0.00 C ATOM 0 H VAL A 79 110.432 -4.656 0.965 1.00 0.00 H new ATOM 0 HA VAL A 79 112.855 -2.989 1.120 1.00 0.00 H new ATOM 0 HB VAL A 79 112.638 -5.636 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.010 -5.275 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 79 113.933 -4.018 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 79 114.949 -3.669 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.543 -6.369 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.449 -4.828 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.095 -5.981 2.008 1.00 0.00 H new ATOM 1291 N ASN A 80 112.344 -2.108 -1.258 1.00 0.00 N ATOM 1292 CA ASN A 80 111.920 -1.444 -2.528 1.00 0.00 C ATOM 1293 C ASN A 80 112.317 -2.320 -3.717 1.00 0.00 C ATOM 1294 O ASN A 80 112.617 -1.835 -4.810 1.00 0.00 O ATOM 1295 CB ASN A 80 112.608 -0.074 -2.685 1.00 0.00 C ATOM 1296 CG ASN A 80 112.176 0.955 -1.675 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.224 1.701 -1.903 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.870 1.030 -0.572 1.00 0.00 N ATOM 0 H ASN A 80 113.206 -1.727 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 80 110.839 -1.304 -2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.687 -0.211 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.406 0.309 -3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 80 112.629 1.724 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.653 0.395 -0.418 1.00 0.00 H new ATOM 1305 N LEU A 81 112.256 -3.594 -3.498 1.00 0.00 N ATOM 1306 CA LEU A 81 112.670 -4.592 -4.423 1.00 0.00 C ATOM 1307 C LEU A 81 111.647 -4.759 -5.527 1.00 0.00 C ATOM 1308 O LEU A 81 110.436 -4.581 -5.304 1.00 0.00 O ATOM 1309 CB LEU A 81 112.831 -5.903 -3.656 1.00 0.00 C ATOM 1310 CG LEU A 81 113.314 -7.117 -4.421 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.753 -6.947 -4.782 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.112 -8.372 -3.606 1.00 0.00 C ATOM 0 H LEU A 81 111.898 -3.983 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 81 113.612 -4.300 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.526 -5.727 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.867 -6.150 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 81 112.731 -7.213 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.096 -7.823 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.870 -6.059 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.345 -6.834 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.465 -9.234 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.673 -8.295 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.052 -8.494 -3.382 1.00 0.00 H new ATOM 1324 N ASP A 82 112.147 -5.048 -6.708 1.00 0.00 N ATOM 1325 CA ASP A 82 111.336 -5.381 -7.868 1.00 0.00 C ATOM 1326 C ASP A 82 110.399 -6.534 -7.553 1.00 0.00 C ATOM 1327 O ASP A 82 110.820 -7.554 -6.968 1.00 0.00 O ATOM 1328 CB ASP A 82 112.251 -5.747 -9.043 1.00 0.00 C ATOM 1329 CG ASP A 82 111.542 -6.493 -10.144 1.00 0.00 C ATOM 1330 OD1 ASP A 82 110.799 -5.876 -10.935 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.704 -7.722 -10.221 1.00 0.00 O ATOM 0 H ASP A 82 113.149 -5.060 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 82 110.731 -4.515 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 82 112.685 -4.835 -9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.077 -6.356 -8.675 1.00 0.00 H new ATOM 1336 N PHE A 83 109.144 -6.365 -7.923 1.00 0.00 N ATOM 1337 CA PHE A 83 108.105 -7.345 -7.670 1.00 0.00 C ATOM 1338 C PHE A 83 108.442 -8.717 -8.232 1.00 0.00 C ATOM 1339 O PHE A 83 108.278 -9.707 -7.545 1.00 0.00 O ATOM 1340 CB PHE A 83 106.747 -6.866 -8.193 1.00 0.00 C ATOM 1341 CG PHE A 83 105.644 -7.872 -8.014 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.195 -8.208 -6.749 1.00 0.00 C ATOM 1343 CD2 PHE A 83 105.070 -8.493 -9.109 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.198 -9.137 -6.583 1.00 0.00 C ATOM 1345 CE2 PHE A 83 104.072 -9.426 -8.947 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.635 -9.747 -7.683 1.00 0.00 C ATOM 0 H PHE A 83 108.813 -5.534 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 83 108.042 -7.450 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.474 -5.944 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.839 -6.625 -9.252 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.634 -7.734 -5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 83 105.410 -8.242 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.855 -9.390 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 83 103.633 -9.905 -9.810 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.850 -10.477 -7.552 1.00 0.00 H new ATOM 1356 N HIS A 84 108.948 -8.778 -9.449 1.00 0.00 N ATOM 1357 CA HIS A 84 109.245 -10.072 -10.058 1.00 0.00 C ATOM 1358 C HIS A 84 110.376 -10.784 -9.317 1.00 0.00 C ATOM 1359 O HIS A 84 110.363 -12.000 -9.186 1.00 0.00 O ATOM 1360 CB HIS A 84 109.546 -9.950 -11.561 1.00 0.00 C ATOM 1361 CG HIS A 84 109.857 -11.270 -12.230 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.920 -12.266 -12.411 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.017 -11.765 -12.716 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.492 -13.307 -12.974 1.00 0.00 C ATOM 1365 NE2 HIS A 84 110.761 -13.033 -13.170 1.00 0.00 N ATOM 0 H HIS A 84 109.161 -7.967 -10.030 1.00 0.00 H new ATOM 0 HA HIS A 84 108.348 -10.684 -9.965 1.00 0.00 H new ATOM 0 HB2 HIS A 84 108.689 -9.494 -12.058 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.391 -9.275 -11.699 1.00 0.00 H new ATOM 0 HD1 HIS A 84 107.936 -12.204 -12.149 1.00 0.00 H new ATOM 0 HD2 HIS A 84 111.969 -11.256 -12.742 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.000 -14.233 -13.232 1.00 0.00 H new ATOM 1374 N THR A 85 111.318 -10.029 -8.828 1.00 0.00 N ATOM 1375 CA THR A 85 112.411 -10.574 -8.078 1.00 0.00 C ATOM 1376 C THR A 85 111.910 -11.197 -6.766 1.00 0.00 C ATOM 1377 O THR A 85 112.187 -12.367 -6.485 1.00 0.00 O ATOM 1378 CB THR A 85 113.462 -9.492 -7.814 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.883 -8.937 -9.079 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.664 -10.073 -7.089 1.00 0.00 C ATOM 0 H THR A 85 111.349 -9.016 -8.939 1.00 0.00 H new ATOM 0 HA THR A 85 112.879 -11.366 -8.663 1.00 0.00 H new ATOM 0 HB THR A 85 113.026 -8.716 -7.185 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.150 -8.415 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.397 -9.286 -6.912 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.345 -10.493 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.113 -10.857 -7.699 1.00 0.00 H new ATOM 1388 N LYS A 86 111.122 -10.440 -5.998 1.00 0.00 N ATOM 1389 CA LYS A 86 110.558 -10.962 -4.751 1.00 0.00 C ATOM 1390 C LYS A 86 109.593 -12.097 -5.025 1.00 0.00 C ATOM 1391 O LYS A 86 109.513 -13.044 -4.256 1.00 0.00 O ATOM 1392 CB LYS A 86 109.940 -9.851 -3.877 1.00 0.00 C ATOM 1393 CG LYS A 86 108.901 -8.972 -4.550 1.00 0.00 C ATOM 1394 CD LYS A 86 108.524 -7.787 -3.665 1.00 0.00 C ATOM 1395 CE LYS A 86 107.667 -8.183 -2.463 1.00 0.00 C ATOM 1396 NZ LYS A 86 106.290 -8.562 -2.862 1.00 0.00 N ATOM 0 H LYS A 86 110.863 -9.477 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 86 111.379 -11.374 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.482 -10.316 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.745 -9.213 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.289 -8.609 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.011 -9.561 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.434 -7.302 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.984 -7.053 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 86 108.136 -9.018 -1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 86 107.624 -7.352 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 105.769 -8.904 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 105.803 -7.733 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.331 -9.315 -3.578 1.00 0.00 H new ATOM 1410 N GLU A 87 108.910 -12.008 -6.151 1.00 0.00 N ATOM 1411 CA GLU A 87 108.023 -13.060 -6.634 1.00 0.00 C ATOM 1412 C GLU A 87 108.765 -14.392 -6.717 1.00 0.00 C ATOM 1413 O GLU A 87 108.324 -15.394 -6.148 1.00 0.00 O ATOM 1414 CB GLU A 87 107.476 -12.697 -8.013 1.00 0.00 C ATOM 1415 CG GLU A 87 106.669 -13.792 -8.673 1.00 0.00 C ATOM 1416 CD GLU A 87 106.235 -13.417 -10.053 1.00 0.00 C ATOM 1417 OE1 GLU A 87 105.242 -12.687 -10.198 1.00 0.00 O ATOM 1418 OE2 GLU A 87 106.881 -13.846 -11.027 1.00 0.00 O ATOM 0 H GLU A 87 108.953 -11.195 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 87 107.196 -13.157 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 87 106.852 -11.808 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.310 -12.435 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.264 -14.704 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.792 -14.012 -8.065 1.00 0.00 H new ATOM 1425 N VAL A 88 109.900 -14.398 -7.384 1.00 0.00 N ATOM 1426 CA VAL A 88 110.676 -15.618 -7.543 1.00 0.00 C ATOM 1427 C VAL A 88 111.095 -16.160 -6.177 1.00 0.00 C ATOM 1428 O VAL A 88 110.970 -17.361 -5.905 1.00 0.00 O ATOM 1429 CB VAL A 88 111.918 -15.402 -8.443 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.678 -16.705 -8.641 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.496 -14.834 -9.786 1.00 0.00 C ATOM 0 H VAL A 88 110.309 -13.574 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 88 110.039 -16.350 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 88 112.581 -14.692 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.546 -16.527 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.008 -17.084 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.026 -17.438 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.376 -14.686 -10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.815 -15.529 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.993 -13.879 -9.635 1.00 0.00 H new ATOM 1441 N ILE A 89 111.495 -15.257 -5.299 1.00 0.00 N ATOM 1442 CA ILE A 89 111.913 -15.623 -3.962 1.00 0.00 C ATOM 1443 C ILE A 89 110.739 -16.227 -3.175 1.00 0.00 C ATOM 1444 O ILE A 89 110.900 -17.232 -2.523 1.00 0.00 O ATOM 1445 CB ILE A 89 112.492 -14.416 -3.185 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.580 -13.728 -4.013 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.070 -14.877 -1.840 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.104 -12.458 -3.391 1.00 0.00 C ATOM 0 H ILE A 89 111.538 -14.257 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 89 112.702 -16.367 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 89 111.688 -13.705 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.409 -14.421 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.182 -13.500 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.474 -14.018 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.282 -15.339 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.865 -15.602 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.871 -12.027 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.287 -11.746 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.533 -12.681 -2.414 1.00 0.00 H new ATOM 1460 N THR A 90 109.551 -15.631 -3.283 1.00 0.00 N ATOM 1461 CA THR A 90 108.383 -16.141 -2.563 1.00 0.00 C ATOM 1462 C THR A 90 108.033 -17.581 -2.999 1.00 0.00 C ATOM 1463 O THR A 90 107.601 -18.409 -2.185 1.00 0.00 O ATOM 1464 CB THR A 90 107.131 -15.207 -2.699 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.745 -15.063 -4.073 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.408 -13.825 -2.120 1.00 0.00 C ATOM 0 H THR A 90 109.373 -14.805 -3.854 1.00 0.00 H new ATOM 0 HA THR A 90 108.661 -16.156 -1.509 1.00 0.00 H new ATOM 0 HB THR A 90 106.321 -15.676 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.445 -15.434 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.521 -13.200 -2.229 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.659 -13.917 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.242 -13.368 -2.653 1.00 0.00 H new ATOM 1474 N ASN A 91 108.289 -17.888 -4.267 1.00 0.00 N ATOM 1475 CA ASN A 91 107.991 -19.211 -4.809 1.00 0.00 C ATOM 1476 C ASN A 91 109.073 -20.215 -4.473 1.00 0.00 C ATOM 1477 O ASN A 91 108.785 -21.321 -4.033 1.00 0.00 O ATOM 1478 CB ASN A 91 107.797 -19.191 -6.341 1.00 0.00 C ATOM 1479 CG ASN A 91 106.525 -18.510 -6.814 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.475 -19.131 -6.894 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.608 -17.254 -7.165 1.00 0.00 N ATOM 0 H ASN A 91 108.702 -17.240 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 91 107.055 -19.513 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.651 -18.689 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.800 -20.218 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.783 -16.767 -7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.497 -16.761 -7.088 1.00 0.00 H new ATOM 1488 N SER A 92 110.313 -19.826 -4.657 1.00 0.00 N ATOM 1489 CA SER A 92 111.422 -20.747 -4.515 1.00 0.00 C ATOM 1490 C SER A 92 112.167 -20.635 -3.172 1.00 0.00 C ATOM 1491 O SER A 92 113.240 -21.212 -3.012 1.00 0.00 O ATOM 1492 CB SER A 92 112.374 -20.547 -5.686 1.00 0.00 C ATOM 1493 OG SER A 92 111.683 -20.742 -6.921 1.00 0.00 O ATOM 0 H SER A 92 110.582 -18.874 -4.906 1.00 0.00 H new ATOM 0 HA SER A 92 111.009 -21.756 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.798 -19.543 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.206 -21.247 -5.612 1.00 0.00 H new ATOM 0 HG SER A 92 112.304 -20.609 -7.668 1.00 0.00 H new ATOM 1499 N ILE A 93 111.595 -19.941 -2.204 1.00 0.00 N ATOM 1500 CA ILE A 93 112.237 -19.807 -0.883 1.00 0.00 C ATOM 1501 C ILE A 93 112.172 -21.163 -0.147 1.00 0.00 C ATOM 1502 O ILE A 93 112.938 -21.436 0.781 1.00 0.00 O ATOM 1503 CB ILE A 93 111.566 -18.689 -0.023 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.423 -18.333 1.199 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.163 -19.085 0.394 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.725 -17.633 0.840 1.00 0.00 C ATOM 0 H ILE A 93 110.699 -19.462 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 93 113.277 -19.517 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 93 111.491 -17.798 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.845 -17.691 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.650 -19.244 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.722 -18.287 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.553 -19.253 -0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.204 -20.000 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.281 -17.410 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.322 -18.282 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.506 -16.705 0.313 1.00 0.00 H new ATOM 1518 N THR A 94 111.225 -21.986 -0.582 1.00 0.00 N ATOM 1519 CA THR A 94 111.051 -23.354 -0.117 1.00 0.00 C ATOM 1520 C THR A 94 112.313 -24.196 -0.396 1.00 0.00 C ATOM 1521 O THR A 94 112.672 -25.078 0.383 1.00 0.00 O ATOM 1522 CB THR A 94 109.805 -24.005 -0.806 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.668 -25.396 -0.452 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.884 -23.869 -2.314 1.00 0.00 C ATOM 0 H THR A 94 110.540 -21.712 -1.286 1.00 0.00 H new ATOM 0 HA THR A 94 110.889 -23.329 0.961 1.00 0.00 H new ATOM 0 HB THR A 94 108.927 -23.469 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.880 -25.771 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 94 109.006 -24.330 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.919 -22.813 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.783 -24.366 -2.678 1.00 0.00 H new ATOM 1532 N GLN A 95 113.005 -23.880 -1.476 1.00 0.00 N ATOM 1533 CA GLN A 95 114.193 -24.587 -1.869 1.00 0.00 C ATOM 1534 C GLN A 95 115.289 -23.577 -2.174 1.00 0.00 C ATOM 1535 O GLN A 95 115.558 -23.254 -3.333 1.00 0.00 O ATOM 1536 CB GLN A 95 113.928 -25.520 -3.066 1.00 0.00 C ATOM 1537 CG GLN A 95 112.985 -26.678 -2.749 1.00 0.00 C ATOM 1538 CD GLN A 95 112.652 -27.543 -3.953 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.432 -28.751 -3.821 1.00 0.00 O ATOM 1540 NE2 GLN A 95 112.539 -26.945 -5.106 1.00 0.00 N ATOM 0 H GLN A 95 112.750 -23.118 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 95 114.517 -25.228 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.508 -24.935 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.878 -25.923 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 95 113.437 -27.302 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.060 -26.278 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 95 112.728 -25.946 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 95 112.262 -27.477 -5.931 1.00 0.00 H new ATOM 1549 N PRO A 96 115.876 -23.001 -1.126 1.00 0.00 N ATOM 1550 CA PRO A 96 116.894 -21.983 -1.252 1.00 0.00 C ATOM 1551 C PRO A 96 118.298 -22.542 -1.478 1.00 0.00 C ATOM 1552 O PRO A 96 118.547 -23.751 -1.355 1.00 0.00 O ATOM 1553 CB PRO A 96 116.825 -21.281 0.100 1.00 0.00 C ATOM 1554 CG PRO A 96 116.483 -22.369 1.044 1.00 0.00 C ATOM 1555 CD PRO A 96 115.567 -23.278 0.285 1.00 0.00 C ATOM 0 HA PRO A 96 116.717 -21.344 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.775 -20.812 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 96 116.070 -20.495 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.377 -22.898 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.996 -21.976 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.746 -24.324 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.521 -23.071 0.512 1.00 0.00 H new ATOM 1563 N THR A 97 119.177 -21.656 -1.809 1.00 0.00 N ATOM 1564 CA THR A 97 120.569 -21.887 -2.006 1.00 0.00 C ATOM 1565 C THR A 97 121.291 -20.608 -1.588 1.00 0.00 C ATOM 1566 O THR A 97 120.635 -19.654 -1.154 1.00 0.00 O ATOM 1567 CB THR A 97 120.883 -22.226 -3.483 1.00 0.00 C ATOM 1568 OG1 THR A 97 120.132 -21.375 -4.365 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.626 -23.687 -3.802 1.00 0.00 C ATOM 0 H THR A 97 118.922 -20.680 -1.960 1.00 0.00 H new ATOM 0 HA THR A 97 120.898 -22.740 -1.413 1.00 0.00 H new ATOM 0 HB THR A 97 121.947 -22.046 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 97 120.343 -21.600 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.860 -23.877 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.255 -24.314 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.578 -23.921 -3.616 1.00 0.00 H new ATOM 1577 N LEU A 98 122.595 -20.557 -1.744 1.00 0.00 N ATOM 1578 CA LEU A 98 123.382 -19.394 -1.323 1.00 0.00 C ATOM 1579 C LEU A 98 122.979 -18.120 -2.050 1.00 0.00 C ATOM 1580 O LEU A 98 123.064 -17.028 -1.503 1.00 0.00 O ATOM 1581 CB LEU A 98 124.895 -19.632 -1.494 1.00 0.00 C ATOM 1582 CG LEU A 98 125.639 -20.365 -0.360 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.041 -21.719 -0.049 1.00 0.00 C ATOM 1584 CD2 LEU A 98 127.106 -20.507 -0.708 1.00 0.00 C ATOM 0 H LEU A 98 123.146 -21.307 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 98 123.164 -19.261 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 98 125.043 -20.199 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.373 -18.663 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 98 125.532 -19.758 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.605 -22.189 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.002 -21.596 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.084 -22.349 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.623 -21.026 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 127.207 -21.079 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.545 -19.519 -0.844 1.00 0.00 H new ATOM 1596 N HIS A 99 122.531 -18.244 -3.262 1.00 0.00 N ATOM 1597 CA HIS A 99 122.197 -17.076 -4.044 1.00 0.00 C ATOM 1598 C HIS A 99 120.689 -16.947 -4.287 1.00 0.00 C ATOM 1599 O HIS A 99 120.280 -16.365 -5.271 1.00 0.00 O ATOM 1600 CB HIS A 99 123.002 -17.043 -5.370 1.00 0.00 C ATOM 1601 CG HIS A 99 124.492 -16.856 -5.179 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.134 -15.648 -5.343 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.454 -17.728 -4.785 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.414 -15.782 -5.044 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.631 -17.033 -4.707 1.00 0.00 N ATOM 0 H HIS A 99 122.386 -19.135 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 99 122.487 -16.204 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.829 -17.973 -5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.621 -16.235 -5.995 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.689 -14.782 -5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.316 -18.778 -4.572 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.155 -14.997 -5.072 1.00 0.00 H new ATOM 1614 N SER A 100 119.865 -17.426 -3.345 1.00 0.00 N ATOM 1615 CA SER A 100 118.392 -17.277 -3.450 1.00 0.00 C ATOM 1616 C SER A 100 117.949 -15.812 -3.558 1.00 0.00 C ATOM 1617 O SER A 100 116.920 -15.498 -4.171 1.00 0.00 O ATOM 1618 CB SER A 100 117.689 -17.964 -2.268 1.00 0.00 C ATOM 1619 OG SER A 100 117.909 -19.336 -2.343 1.00 0.00 O ATOM 0 H SER A 100 120.181 -17.916 -2.508 1.00 0.00 H new ATOM 0 HA SER A 100 118.095 -17.768 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 100 118.070 -17.573 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.620 -17.753 -2.292 1.00 0.00 H new ATOM 0 HG SER A 100 118.302 -19.557 -3.213 1.00 0.00 H new ATOM 1625 N PHE A 101 118.739 -14.928 -3.007 1.00 0.00 N ATOM 1626 CA PHE A 101 118.413 -13.525 -3.007 1.00 0.00 C ATOM 1627 C PHE A 101 119.343 -12.782 -3.951 1.00 0.00 C ATOM 1628 O PHE A 101 119.426 -11.566 -3.893 1.00 0.00 O ATOM 1629 CB PHE A 101 118.605 -12.940 -1.606 1.00 0.00 C ATOM 1630 CG PHE A 101 117.903 -13.638 -0.482 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.589 -13.348 -0.173 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.584 -14.560 0.295 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.967 -13.970 0.887 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.966 -15.184 1.348 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.657 -14.887 1.644 1.00 0.00 C ATOM 0 H PHE A 101 119.621 -15.157 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 101 117.376 -13.414 -3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.672 -12.929 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.272 -11.902 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.045 -12.628 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.615 -14.790 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.939 -13.738 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.506 -15.906 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.169 -15.376 2.474 1.00 0.00 H new ATOM 1645 N ASP A 102 119.992 -13.502 -4.845 1.00 0.00 N ATOM 1646 CA ASP A 102 121.046 -12.912 -5.683 1.00 0.00 C ATOM 1647 C ASP A 102 120.545 -11.772 -6.535 1.00 0.00 C ATOM 1648 O ASP A 102 121.158 -10.692 -6.563 1.00 0.00 O ATOM 1649 CB ASP A 102 121.710 -13.941 -6.572 1.00 0.00 C ATOM 1650 CG ASP A 102 122.976 -13.401 -7.165 1.00 0.00 C ATOM 1651 OD1 ASP A 102 122.944 -12.801 -8.253 1.00 0.00 O ATOM 1652 OD2 ASP A 102 124.034 -13.546 -6.511 1.00 0.00 O ATOM 0 H ASP A 102 119.818 -14.492 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 102 121.782 -12.519 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.929 -14.839 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.027 -14.233 -7.369 1.00 0.00 H new ATOM 1657 N ALA A 103 119.412 -11.982 -7.183 1.00 0.00 N ATOM 1658 CA ALA A 103 118.847 -10.969 -8.056 1.00 0.00 C ATOM 1659 C ALA A 103 118.409 -9.785 -7.228 1.00 0.00 C ATOM 1660 O ALA A 103 118.608 -8.626 -7.604 1.00 0.00 O ATOM 1661 CB ALA A 103 117.674 -11.528 -8.854 1.00 0.00 C ATOM 0 H ALA A 103 118.867 -12.842 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 103 119.609 -10.651 -8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.269 -10.749 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.015 -12.364 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.898 -11.871 -8.169 1.00 0.00 H new ATOM 1667 N ALA A 104 117.877 -10.089 -6.063 1.00 0.00 N ATOM 1668 CA ALA A 104 117.393 -9.092 -5.152 1.00 0.00 C ATOM 1669 C ALA A 104 118.502 -8.210 -4.610 1.00 0.00 C ATOM 1670 O ALA A 104 118.287 -7.021 -4.397 1.00 0.00 O ATOM 1671 CB ALA A 104 116.585 -9.724 -4.035 1.00 0.00 C ATOM 0 H ALA A 104 117.771 -11.046 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 104 116.731 -8.437 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.230 -8.947 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.732 -10.254 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.212 -10.426 -3.485 1.00 0.00 H new ATOM 1677 N GLN A 105 119.700 -8.764 -4.442 1.00 0.00 N ATOM 1678 CA GLN A 105 120.808 -7.971 -3.914 1.00 0.00 C ATOM 1679 C GLN A 105 121.232 -6.964 -4.956 1.00 0.00 C ATOM 1680 O GLN A 105 121.560 -5.822 -4.642 1.00 0.00 O ATOM 1681 CB GLN A 105 122.025 -8.819 -3.484 1.00 0.00 C ATOM 1682 CG GLN A 105 121.748 -9.954 -2.499 1.00 0.00 C ATOM 1683 CD GLN A 105 120.709 -9.618 -1.455 1.00 0.00 C ATOM 1684 OE1 GLN A 105 120.998 -9.099 -0.428 1.00 0.00 O ATOM 1685 NE2 GLN A 105 119.502 -9.973 -1.706 1.00 0.00 N ATOM 0 H GLN A 105 119.926 -9.735 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 105 120.446 -7.476 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.477 -9.246 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.765 -8.154 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 105 121.420 -10.832 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 105 122.678 -10.223 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 105 119.276 -10.418 -2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 105 118.769 -9.810 -1.016 1.00 0.00 H new ATOM 1694 N SER A 106 121.175 -7.387 -6.200 1.00 0.00 N ATOM 1695 CA SER A 106 121.493 -6.548 -7.315 1.00 0.00 C ATOM 1696 C SER A 106 120.443 -5.434 -7.471 1.00 0.00 C ATOM 1697 O SER A 106 120.779 -4.297 -7.835 1.00 0.00 O ATOM 1698 CB SER A 106 121.603 -7.410 -8.569 1.00 0.00 C ATOM 1699 OG SER A 106 122.588 -8.429 -8.365 1.00 0.00 O ATOM 0 H SER A 106 120.903 -8.335 -6.460 1.00 0.00 H new ATOM 0 HA SER A 106 122.451 -6.056 -7.149 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.638 -7.863 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.876 -6.792 -9.425 1.00 0.00 H new ATOM 0 HG SER A 106 122.212 -9.140 -7.805 1.00 0.00 H new ATOM 1705 N ARG A 107 119.185 -5.754 -7.164 1.00 0.00 N ATOM 1706 CA ARG A 107 118.109 -4.772 -7.216 1.00 0.00 C ATOM 1707 C ARG A 107 118.305 -3.737 -6.122 1.00 0.00 C ATOM 1708 O ARG A 107 118.173 -2.543 -6.348 1.00 0.00 O ATOM 1709 CB ARG A 107 116.738 -5.426 -7.052 1.00 0.00 C ATOM 1710 CG ARG A 107 116.396 -6.524 -8.057 1.00 0.00 C ATOM 1711 CD ARG A 107 116.549 -6.063 -9.494 1.00 0.00 C ATOM 1712 NE ARG A 107 115.711 -4.906 -9.817 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.762 -4.237 -10.973 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.651 -4.577 -11.905 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.935 -3.222 -11.193 1.00 0.00 N ATOM 0 H ARG A 107 118.889 -6.687 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 107 118.143 -4.295 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.676 -5.847 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 107 115.976 -4.649 -7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.042 -7.385 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.371 -6.857 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.593 -5.811 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.296 -6.886 -10.163 1.00 0.00 H new ATOM 0 HE ARG A 107 115.044 -4.590 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.295 -5.350 -11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.687 -4.065 -12.786 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.259 -2.951 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 107 114.976 -2.713 -12.076 1.00 0.00 H new ATOM 1729 N VAL A 108 118.649 -4.204 -4.948 1.00 0.00 N ATOM 1730 CA VAL A 108 118.882 -3.330 -3.823 1.00 0.00 C ATOM 1731 C VAL A 108 120.108 -2.467 -4.029 1.00 0.00 C ATOM 1732 O VAL A 108 120.063 -1.273 -3.779 1.00 0.00 O ATOM 1733 CB VAL A 108 118.933 -4.108 -2.499 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.343 -3.215 -1.335 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.562 -4.676 -2.244 1.00 0.00 C ATOM 0 H VAL A 108 118.775 -5.195 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 108 118.030 -2.653 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 108 119.679 -4.899 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.367 -3.802 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.332 -2.799 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.623 -2.404 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.568 -5.235 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.838 -3.864 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.286 -5.341 -3.062 1.00 0.00 H new ATOM 1745 N TYR A 109 121.180 -3.063 -4.526 1.00 0.00 N ATOM 1746 CA TYR A 109 122.390 -2.327 -4.849 1.00 0.00 C ATOM 1747 C TYR A 109 122.086 -1.095 -5.729 1.00 0.00 C ATOM 1748 O TYR A 109 122.528 0.014 -5.424 1.00 0.00 O ATOM 1749 CB TYR A 109 123.448 -3.275 -5.483 1.00 0.00 C ATOM 1750 CG TYR A 109 124.479 -2.591 -6.370 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.190 -2.294 -7.702 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.705 -2.202 -5.873 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.087 -1.637 -8.498 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.610 -1.530 -6.666 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.297 -1.250 -7.976 1.00 0.00 C ATOM 1756 OH TYR A 109 127.185 -0.546 -8.758 1.00 0.00 O ATOM 0 H TYR A 109 121.235 -4.064 -4.716 1.00 0.00 H new ATOM 0 HA TYR A 109 122.818 -1.938 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.970 -3.798 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.929 -4.031 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.236 -2.590 -8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 109 125.960 -2.427 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.846 -1.424 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.563 -1.224 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 109 126.737 0.239 -9.137 1.00 0.00 H new ATOM 1766 N GLN A 110 121.283 -1.275 -6.780 1.00 0.00 N ATOM 1767 CA GLN A 110 120.955 -0.154 -7.651 1.00 0.00 C ATOM 1768 C GLN A 110 120.027 0.855 -6.972 1.00 0.00 C ATOM 1769 O GLN A 110 120.044 2.030 -7.321 1.00 0.00 O ATOM 1770 CB GLN A 110 120.410 -0.574 -9.025 1.00 0.00 C ATOM 1771 CG GLN A 110 119.238 -1.517 -8.986 1.00 0.00 C ATOM 1772 CD GLN A 110 118.474 -1.556 -10.285 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.529 -0.795 -10.474 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.854 -2.421 -11.178 1.00 0.00 N ATOM 0 H GLN A 110 120.859 -2.165 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 110 121.907 0.341 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.117 0.322 -9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.215 -1.043 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.593 -2.520 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.564 -1.219 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 110 119.644 -3.038 -10.987 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.363 -2.483 -12.070 1.00 0.00 H new ATOM 1783 N LEU A 111 119.234 0.397 -5.992 1.00 0.00 N ATOM 1784 CA LEU A 111 118.364 1.290 -5.214 1.00 0.00 C ATOM 1785 C LEU A 111 119.202 2.349 -4.531 1.00 0.00 C ATOM 1786 O LEU A 111 118.945 3.540 -4.676 1.00 0.00 O ATOM 1787 CB LEU A 111 117.565 0.523 -4.149 1.00 0.00 C ATOM 1788 CG LEU A 111 116.566 -0.515 -4.647 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.963 -1.261 -3.470 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.473 0.149 -5.471 1.00 0.00 C ATOM 0 H LEU A 111 119.178 -0.584 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 111 117.659 1.749 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.274 0.022 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 111 117.024 1.250 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 111 117.090 -1.227 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.250 -2.001 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.754 -1.763 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.451 -0.555 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.769 -0.607 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.947 0.880 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.919 0.651 -6.330 1.00 0.00 H new ATOM 1802 N MET A 112 120.238 1.916 -3.807 1.00 0.00 N ATOM 1803 CA MET A 112 121.114 2.870 -3.144 1.00 0.00 C ATOM 1804 C MET A 112 121.896 3.658 -4.142 1.00 0.00 C ATOM 1805 O MET A 112 122.144 4.816 -3.927 1.00 0.00 O ATOM 1806 CB MET A 112 122.095 2.254 -2.143 1.00 0.00 C ATOM 1807 CG MET A 112 121.478 1.635 -0.923 1.00 0.00 C ATOM 1808 SD MET A 112 120.874 -0.011 -1.224 1.00 0.00 S ATOM 1809 CE MET A 112 122.410 -0.912 -1.461 1.00 0.00 C ATOM 0 H MET A 112 120.482 0.935 -3.670 1.00 0.00 H new ATOM 0 HA MET A 112 120.436 3.509 -2.577 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.680 1.492 -2.658 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.792 3.028 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 112 122.216 1.607 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.656 2.262 -0.578 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.191 -1.967 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.936 -0.512 -2.328 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.036 -0.804 -0.575 1.00 0.00 H new ATOM 1819 N GLU A 113 122.275 3.027 -5.231 1.00 0.00 N ATOM 1820 CA GLU A 113 123.058 3.677 -6.264 1.00 0.00 C ATOM 1821 C GLU A 113 122.336 4.944 -6.781 1.00 0.00 C ATOM 1822 O GLU A 113 122.783 6.075 -6.531 1.00 0.00 O ATOM 1823 CB GLU A 113 123.344 2.690 -7.407 1.00 0.00 C ATOM 1824 CG GLU A 113 124.297 3.205 -8.472 1.00 0.00 C ATOM 1825 CD GLU A 113 124.518 2.208 -9.582 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.640 2.096 -10.471 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.582 1.536 -9.617 1.00 0.00 O ATOM 0 H GLU A 113 122.051 2.051 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 113 124.011 3.992 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.757 1.775 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.400 2.424 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.901 4.130 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.254 3.448 -8.011 1.00 0.00 H new ATOM 1834 N GLN A 114 121.165 4.751 -7.356 1.00 0.00 N ATOM 1835 CA GLN A 114 120.423 5.837 -8.004 1.00 0.00 C ATOM 1836 C GLN A 114 119.752 6.808 -7.015 1.00 0.00 C ATOM 1837 O GLN A 114 119.151 7.801 -7.427 1.00 0.00 O ATOM 1838 CB GLN A 114 119.393 5.261 -8.974 1.00 0.00 C ATOM 1839 CG GLN A 114 118.356 4.364 -8.322 1.00 0.00 C ATOM 1840 CD GLN A 114 117.449 3.690 -9.324 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.168 4.227 -10.396 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.002 2.509 -9.007 1.00 0.00 N ATOM 0 H GLN A 114 120.696 3.846 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 114 121.157 6.429 -8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.882 6.084 -9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.914 4.694 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.863 3.603 -7.729 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.753 4.956 -7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.254 2.092 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.400 2.001 -9.655 1.00 0.00 H new ATOM 1851 N ASP A 115 119.848 6.532 -5.735 1.00 0.00 N ATOM 1852 CA ASP A 115 119.244 7.412 -4.730 1.00 0.00 C ATOM 1853 C ASP A 115 120.260 7.990 -3.780 1.00 0.00 C ATOM 1854 O ASP A 115 120.367 9.201 -3.616 1.00 0.00 O ATOM 1855 CB ASP A 115 118.160 6.687 -3.917 1.00 0.00 C ATOM 1856 CG ASP A 115 117.693 7.500 -2.706 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.759 8.310 -2.825 1.00 0.00 O ATOM 1858 OD2 ASP A 115 118.258 7.333 -1.604 1.00 0.00 O ATOM 0 H ASP A 115 120.331 5.717 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 115 118.792 8.229 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.306 6.478 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.546 5.726 -3.578 1.00 0.00 H new ATOM 1863 N SER A 116 120.992 7.130 -3.156 1.00 0.00 N ATOM 1864 CA SER A 116 121.859 7.515 -2.098 1.00 0.00 C ATOM 1865 C SER A 116 123.319 7.695 -2.571 1.00 0.00 C ATOM 1866 O SER A 116 124.042 8.478 -2.000 1.00 0.00 O ATOM 1867 CB SER A 116 121.780 6.447 -1.012 1.00 0.00 C ATOM 1868 OG SER A 116 120.422 6.069 -0.735 1.00 0.00 O ATOM 0 H SER A 116 121.004 6.132 -3.369 1.00 0.00 H new ATOM 0 HA SER A 116 121.538 8.484 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.346 5.569 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.247 6.820 -0.100 1.00 0.00 H new ATOM 0 HG SER A 116 119.820 6.794 -1.003 1.00 0.00 H new ATOM 1874 N TYR A 117 123.728 7.004 -3.638 1.00 0.00 N ATOM 1875 CA TYR A 117 125.125 7.021 -4.078 1.00 0.00 C ATOM 1876 C TYR A 117 125.510 8.355 -4.681 1.00 0.00 C ATOM 1877 O TYR A 117 126.600 8.862 -4.442 1.00 0.00 O ATOM 1878 CB TYR A 117 125.379 5.858 -5.032 1.00 0.00 C ATOM 1879 CG TYR A 117 126.692 5.871 -5.768 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.906 5.879 -5.100 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.704 5.874 -7.153 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.095 5.889 -5.798 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.880 5.882 -7.851 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.070 5.888 -7.175 1.00 0.00 C ATOM 1885 OH TYR A 117 130.245 5.908 -7.881 1.00 0.00 O ATOM 0 H TYR A 117 123.113 6.427 -4.212 1.00 0.00 H new ATOM 0 HA TYR A 117 125.767 6.892 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.315 4.930 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.575 5.838 -5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.921 5.877 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.768 5.870 -7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.037 5.898 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.870 5.884 -8.931 1.00 0.00 H new ATOM 0 HH TYR A 117 130.937 5.431 -7.377 1.00 0.00 H new ATOM 1895 N THR A 118 124.614 8.921 -5.420 1.00 0.00 N ATOM 1896 CA THR A 118 124.810 10.219 -6.015 1.00 0.00 C ATOM 1897 C THR A 118 124.975 11.281 -4.905 1.00 0.00 C ATOM 1898 O THR A 118 125.968 12.056 -4.863 1.00 0.00 O ATOM 1899 CB THR A 118 123.592 10.514 -6.885 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.416 10.115 -6.143 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.663 9.710 -8.173 1.00 0.00 C ATOM 0 H THR A 118 123.712 8.497 -5.635 1.00 0.00 H new ATOM 0 HA THR A 118 125.712 10.241 -6.626 1.00 0.00 H new ATOM 0 HB THR A 118 123.558 11.574 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.615 10.295 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.789 9.928 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.567 9.979 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.684 8.646 -7.937 1.00 0.00 H new ATOM 1909 N ARG A 119 124.048 11.254 -3.969 1.00 0.00 N ATOM 1910 CA ARG A 119 124.087 12.130 -2.819 1.00 0.00 C ATOM 1911 C ARG A 119 125.327 11.847 -1.965 1.00 0.00 C ATOM 1912 O ARG A 119 125.916 12.758 -1.391 1.00 0.00 O ATOM 1913 CB ARG A 119 122.805 12.009 -1.998 1.00 0.00 C ATOM 1914 CG ARG A 119 121.561 12.502 -2.723 1.00 0.00 C ATOM 1915 CD ARG A 119 120.327 12.403 -1.840 1.00 0.00 C ATOM 1916 NE ARG A 119 119.959 11.012 -1.529 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.856 10.506 -0.291 1.00 0.00 C ATOM 1918 NH1 ARG A 119 120.328 11.185 0.745 1.00 0.00 N ATOM 1919 NH2 ARG A 119 119.325 9.297 -0.090 1.00 0.00 N ATOM 0 H ARG A 119 123.247 10.623 -3.986 1.00 0.00 H new ATOM 0 HA ARG A 119 124.154 13.159 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.661 10.965 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.923 12.574 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.706 13.537 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.410 11.915 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.507 12.943 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 119 119.490 12.893 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 119 119.768 10.387 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 119 120.770 12.093 0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 119 120.249 10.800 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 119 118.992 8.748 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 119 119.252 8.923 0.856 1.00 0.00 H new ATOM 1933 N PHE A 120 125.723 10.587 -1.900 1.00 0.00 N ATOM 1934 CA PHE A 120 126.937 10.188 -1.215 1.00 0.00 C ATOM 1935 C PHE A 120 128.148 10.810 -1.884 1.00 0.00 C ATOM 1936 O PHE A 120 129.037 11.288 -1.214 1.00 0.00 O ATOM 1937 CB PHE A 120 127.077 8.657 -1.152 1.00 0.00 C ATOM 1938 CG PHE A 120 128.412 8.186 -0.636 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.703 8.196 0.719 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.386 7.750 -1.520 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.939 7.777 1.173 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.615 7.337 -1.068 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.892 7.349 0.278 1.00 0.00 C ATOM 0 H PHE A 120 125.210 9.813 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 120 126.876 10.552 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.290 8.256 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.919 8.246 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.959 8.534 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.176 7.735 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.157 7.786 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.364 7.003 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.858 7.022 0.633 1.00 0.00 H new ATOM 1953 N LEU A 121 128.160 10.844 -3.197 1.00 0.00 N ATOM 1954 CA LEU A 121 129.262 11.446 -3.926 1.00 0.00 C ATOM 1955 C LEU A 121 129.422 12.921 -3.618 1.00 0.00 C ATOM 1956 O LEU A 121 130.504 13.479 -3.777 1.00 0.00 O ATOM 1957 CB LEU A 121 129.177 11.171 -5.418 1.00 0.00 C ATOM 1958 CG LEU A 121 129.401 9.716 -5.791 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.283 9.527 -7.289 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.767 9.265 -5.296 1.00 0.00 C ATOM 0 H LEU A 121 127.420 10.462 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 121 130.172 10.961 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.196 11.481 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.915 11.785 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 121 128.635 9.104 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.447 8.478 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.287 9.826 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.030 10.140 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.925 8.221 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.541 9.879 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.815 9.372 -4.212 1.00 0.00 H new ATOM 1972 N LYS A 122 128.355 13.555 -3.193 1.00 0.00 N ATOM 1973 CA LYS A 122 128.475 14.915 -2.698 1.00 0.00 C ATOM 1974 C LYS A 122 128.303 15.053 -1.182 1.00 0.00 C ATOM 1975 O LYS A 122 128.261 16.169 -0.660 1.00 0.00 O ATOM 1976 CB LYS A 122 127.632 15.918 -3.480 1.00 0.00 C ATOM 1977 CG LYS A 122 128.266 16.289 -4.808 1.00 0.00 C ATOM 1978 CD LYS A 122 129.669 16.844 -4.576 1.00 0.00 C ATOM 1979 CE LYS A 122 130.363 17.224 -5.863 1.00 0.00 C ATOM 1980 NZ LYS A 122 131.739 17.713 -5.615 1.00 0.00 N ATOM 0 H LYS A 122 127.412 13.166 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 122 129.516 15.178 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.642 15.498 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 122 127.494 16.818 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 122 128.314 15.413 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 122 127.652 17.030 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 122 129.607 17.719 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 122 130.268 16.100 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 122 130.397 16.361 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.788 17.997 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 132.186 17.965 -6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 131.704 18.551 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 132.294 16.966 -5.150 1.00 0.00 H new ATOM 1994 N SER A 123 128.247 13.939 -0.474 1.00 0.00 N ATOM 1995 CA SER A 123 128.151 13.968 0.979 1.00 0.00 C ATOM 1996 C SER A 123 129.464 14.450 1.575 1.00 0.00 C ATOM 1997 O SER A 123 130.545 14.183 1.032 1.00 0.00 O ATOM 1998 CB SER A 123 127.814 12.584 1.555 1.00 0.00 C ATOM 1999 OG SER A 123 128.879 11.658 1.356 1.00 0.00 O ATOM 0 H SER A 123 128.266 13.003 -0.879 1.00 0.00 H new ATOM 0 HA SER A 123 127.345 14.653 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.604 12.674 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.908 12.204 1.083 1.00 0.00 H new ATOM 0 HG SER A 123 128.872 11.346 0.427 1.00 0.00 H new ATOM 2005 N ASP A 124 129.378 15.122 2.682 1.00 0.00 N ATOM 2006 CA ASP A 124 130.545 15.654 3.361 1.00 0.00 C ATOM 2007 C ASP A 124 131.455 14.530 3.883 1.00 0.00 C ATOM 2008 O ASP A 124 132.669 14.716 4.014 1.00 0.00 O ATOM 2009 CB ASP A 124 130.125 16.608 4.485 1.00 0.00 C ATOM 2010 CG ASP A 124 131.289 17.174 5.262 1.00 0.00 C ATOM 2011 OD1 ASP A 124 132.038 18.017 4.719 1.00 0.00 O ATOM 2012 OD2 ASP A 124 131.473 16.801 6.439 1.00 0.00 O ATOM 0 H ASP A 124 128.496 15.324 3.152 1.00 0.00 H new ATOM 0 HA ASP A 124 131.127 16.223 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.550 17.430 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.463 16.079 5.171 1.00 0.00 H new ATOM 2017 N ILE A 125 130.881 13.356 4.153 1.00 0.00 N ATOM 2018 CA ILE A 125 131.685 12.213 4.579 1.00 0.00 C ATOM 2019 C ILE A 125 132.581 11.763 3.391 1.00 0.00 C ATOM 2020 O ILE A 125 133.797 11.556 3.557 1.00 0.00 O ATOM 2021 CB ILE A 125 130.788 11.030 5.184 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.605 10.037 6.071 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.013 10.254 4.113 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.604 9.145 5.352 1.00 0.00 C ATOM 0 H ILE A 125 129.880 13.175 4.085 1.00 0.00 H new ATOM 0 HA ILE A 125 132.333 12.511 5.403 1.00 0.00 H new ATOM 0 HB ILE A 125 130.064 11.537 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 125 132.143 10.615 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 125 130.901 9.399 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.426 9.467 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 125 129.347 10.934 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.714 9.808 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 125 133.106 8.503 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 125 132.081 8.528 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 125 133.343 9.763 4.842 1.00 0.00 H new ATOM 2036 N TYR A 126 132.006 11.714 2.182 1.00 0.00 N ATOM 2037 CA TYR A 126 132.772 11.339 1.001 1.00 0.00 C ATOM 2038 C TYR A 126 133.720 12.456 0.614 1.00 0.00 C ATOM 2039 O TYR A 126 134.847 12.211 0.198 1.00 0.00 O ATOM 2040 CB TYR A 126 131.864 10.956 -0.173 1.00 0.00 C ATOM 2041 CG TYR A 126 132.613 10.571 -1.441 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.417 9.445 -1.476 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.539 11.350 -2.587 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.115 9.099 -2.607 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.237 11.014 -3.722 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.020 9.885 -3.731 1.00 0.00 C ATOM 2047 OH TYR A 126 134.733 9.554 -4.858 1.00 0.00 O ATOM 0 H TYR A 126 131.025 11.928 2.004 1.00 0.00 H new ATOM 0 HA TYR A 126 133.357 10.454 1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.231 10.122 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 126 131.203 11.794 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.497 8.825 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.922 12.236 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.735 8.215 -2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.170 11.635 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 126 135.376 8.847 -4.642 1.00 0.00 H new ATOM 2057 N LEU A 127 133.283 13.680 0.789 1.00 0.00 N ATOM 2058 CA LEU A 127 134.124 14.827 0.519 1.00 0.00 C ATOM 2059 C LEU A 127 135.300 14.917 1.484 1.00 0.00 C ATOM 2060 O LEU A 127 136.311 15.536 1.165 1.00 0.00 O ATOM 2061 CB LEU A 127 133.326 16.143 0.412 1.00 0.00 C ATOM 2062 CG LEU A 127 132.791 16.499 -0.981 1.00 0.00 C ATOM 2063 CD1 LEU A 127 133.932 16.735 -1.945 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.878 15.421 -1.512 1.00 0.00 C ATOM 0 H LEU A 127 132.346 13.910 1.119 1.00 0.00 H new ATOM 0 HA LEU A 127 134.554 14.669 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.482 16.089 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.963 16.959 0.753 1.00 0.00 H new ATOM 0 HG LEU A 127 132.212 17.418 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.532 16.986 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.550 17.557 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 127 134.538 15.832 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.517 15.705 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.426 14.482 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 127 131.031 15.297 -0.838 1.00 0.00 H new ATOM 2076 N ASP A 128 135.179 14.284 2.642 1.00 0.00 N ATOM 2077 CA ASP A 128 136.303 14.173 3.576 1.00 0.00 C ATOM 2078 C ASP A 128 137.305 13.181 3.031 1.00 0.00 C ATOM 2079 O ASP A 128 138.511 13.384 3.128 1.00 0.00 O ATOM 2080 CB ASP A 128 135.849 13.726 4.968 1.00 0.00 C ATOM 2081 CG ASP A 128 137.012 13.537 5.934 1.00 0.00 C ATOM 2082 OD1 ASP A 128 137.592 14.546 6.392 1.00 0.00 O ATOM 2083 OD2 ASP A 128 137.361 12.384 6.258 1.00 0.00 O ATOM 0 H ASP A 128 134.319 13.839 2.962 1.00 0.00 H new ATOM 0 HA ASP A 128 136.756 15.159 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 128 135.160 14.466 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 128 135.297 12.790 4.882 1.00 0.00 H new ATOM 2088 N LEU A 129 136.790 12.104 2.437 1.00 0.00 N ATOM 2089 CA LEU A 129 137.639 11.084 1.802 1.00 0.00 C ATOM 2090 C LEU A 129 138.357 11.729 0.622 1.00 0.00 C ATOM 2091 O LEU A 129 139.521 11.440 0.348 1.00 0.00 O ATOM 2092 CB LEU A 129 136.801 9.906 1.286 1.00 0.00 C ATOM 2093 CG LEU A 129 135.726 9.358 2.232 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.849 8.393 1.498 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.341 8.674 3.441 1.00 0.00 C ATOM 0 H LEU A 129 135.790 11.911 2.380 1.00 0.00 H new ATOM 0 HA LEU A 129 138.347 10.705 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.315 10.214 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.479 9.091 1.033 1.00 0.00 H new ATOM 0 HG LEU A 129 135.133 10.200 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 129 134.087 8.007 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.368 8.901 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.452 7.567 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.549 8.298 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.964 7.843 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.952 9.389 3.992 1.00 0.00 H new ATOM 2107 N MET A 130 137.630 12.609 -0.068 1.00 0.00 N ATOM 2108 CA MET A 130 138.160 13.382 -1.179 1.00 0.00 C ATOM 2109 C MET A 130 139.238 14.306 -0.700 1.00 0.00 C ATOM 2110 O MET A 130 140.396 14.153 -1.080 1.00 0.00 O ATOM 2111 CB MET A 130 137.061 14.216 -1.875 1.00 0.00 C ATOM 2112 CG MET A 130 135.956 13.444 -2.608 1.00 0.00 C ATOM 2113 SD MET A 130 136.539 12.484 -4.024 1.00 0.00 S ATOM 2114 CE MET A 130 137.380 11.120 -3.220 1.00 0.00 C ATOM 0 H MET A 130 136.649 12.803 0.135 1.00 0.00 H new ATOM 0 HA MET A 130 138.565 12.672 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.590 14.849 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.543 14.879 -2.593 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.469 12.771 -1.902 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.199 14.151 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.456 11.223 -3.359 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.150 11.128 -2.155 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.046 10.179 -3.656 1.00 0.00 H new