USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 938 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 73 GLN :FLIP amide:sc= -16.7! C(o=-29!,f=-27!) USER MOD Set 1.2: A 118 ASN : amide:sc= -10! C(o=-27!,f=-35!) USER MOD Set 2.1: A 14 GLN : amide:sc= -2.55! C(o=-9.8!,f=-13!) USER MOD Set 2.2: A 62 GLN : amide:sc= -7.27! C(o=-9.8!,f=-10!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -2.83! USER MOD Set 3.2: A 8 SER OG : rot 130:sc= -5.94! USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= -0.0681 (180deg=-0.109) USER MOD Single : A 20 SER OG : rot -22:sc= 0.267 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0296) USER MOD Single : A 41 SER OG : rot 140:sc= -0.49 USER MOD Single : A 42 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.21) USER MOD Single : A 49 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.082) USER MOD Single : A 50 TYR OH : rot 44:sc= -0.272 USER MOD Single : A 53 HIS : no HD1:sc= -3.86 K(o=-3.9,f=-5.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -106:sc= -0.12 (180deg=-1.33!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0503) USER MOD Single : A 71 SER OG : rot 69:sc= -0.176 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -34:sc= 0.444 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -9.67! C(o=-9.7!,f=-12!) USER MOD Single : A 88 LYS NZ :NH3+ -136:sc= 1.6 (180deg=0.454) USER MOD Single : A 90 MET CE :methyl 175:sc= -1.46 (180deg=-1.57) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= -0.704 (180deg=-1.21) USER MOD Single : A 101 ASN : amide:sc= -3.4! C(o=-3.4!,f=-18!) USER MOD Single : A 104 HIS : no HE2:sc= -4.52 K(o=-4.5,f=-5.1!) USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= -0.202 (180deg=-1.06) USER MOD Single : A 107 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.0066) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc=-0.00166 K(o=-0.0017,f=-1.2) USER MOD Single : A 112 SER OG : rot 180:sc= -0.202 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.0173 F(o=-1.5,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 10.554 -14.852 -5.154 1.00 0.00 N ATOM 83 CA THR A 7 11.090 -14.319 -3.858 1.00 0.00 C ATOM 84 C THR A 7 11.719 -12.932 -4.125 1.00 0.00 C ATOM 85 O THR A 7 12.343 -12.766 -5.142 1.00 0.00 O ATOM 86 CB THR A 7 12.063 -15.350 -3.220 1.00 0.00 C ATOM 87 OG1 THR A 7 13.070 -14.656 -2.497 1.00 0.00 O ATOM 88 CG2 THR A 7 12.753 -16.212 -4.293 1.00 0.00 C ATOM 0 HA THR A 7 10.297 -14.177 -3.123 1.00 0.00 H new ATOM 0 HB THR A 7 11.481 -15.998 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.685 -15.302 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.426 -16.922 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.999 -16.756 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.323 -15.570 -4.965 1.00 0.00 H new ATOM 96 N SER A 8 11.715 -11.971 -3.196 1.00 0.00 N ATOM 97 CA SER A 8 10.973 -12.065 -1.891 1.00 0.00 C ATOM 98 C SER A 8 10.980 -10.667 -1.315 1.00 0.00 C ATOM 99 O SER A 8 12.003 -10.032 -1.168 1.00 0.00 O ATOM 100 CB SER A 8 11.670 -13.054 -0.946 1.00 0.00 C ATOM 101 OG SER A 8 11.117 -14.352 -1.108 1.00 0.00 O ATOM 0 H SER A 8 12.222 -11.093 -3.309 1.00 0.00 H new ATOM 0 HA SER A 8 9.956 -12.431 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.740 -13.077 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.554 -12.726 0.087 1.00 0.00 H new ATOM 0 HG SER A 8 11.839 -15.001 -1.240 1.00 0.00 H new ATOM 107 N TRP A 9 9.847 -10.285 -0.828 1.00 0.00 N ATOM 108 CA TRP A 9 9.688 -9.060 -0.079 1.00 0.00 C ATOM 109 C TRP A 9 8.233 -9.114 0.342 1.00 0.00 C ATOM 110 O TRP A 9 7.406 -9.594 -0.366 1.00 0.00 O ATOM 111 CB TRP A 9 10.087 -7.840 -0.955 1.00 0.00 C ATOM 112 CG TRP A 9 9.064 -7.738 -2.066 1.00 0.00 C ATOM 113 CD1 TRP A 9 8.837 -8.723 -2.947 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.128 -6.675 -2.412 1.00 0.00 C ATOM 115 NE1 TRP A 9 7.795 -8.400 -3.775 1.00 0.00 N ATOM 116 CE2 TRP A 9 7.332 -7.124 -3.516 1.00 0.00 C ATOM 117 CE3 TRP A 9 7.879 -5.383 -1.891 1.00 0.00 C ATOM 118 CZ2 TRP A 9 6.330 -6.316 -4.069 1.00 0.00 C ATOM 119 CZ3 TRP A 9 6.872 -4.567 -2.454 1.00 0.00 C ATOM 120 CH2 TRP A 9 6.103 -5.031 -3.540 1.00 0.00 C ATOM 0 H TRP A 9 8.983 -10.817 -0.935 1.00 0.00 H new ATOM 0 HA TRP A 9 10.332 -8.953 0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.102 -6.927 -0.360 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.089 -7.971 -1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.399 -9.644 -2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.411 -9.020 -4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.462 -5.018 -1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 5.736 -6.676 -4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 6.691 -3.582 -2.050 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.338 -4.400 -3.967 1.00 0.00 H new ATOM 131 N ASP A 10 7.914 -8.631 1.500 1.00 0.00 N ATOM 132 CA ASP A 10 6.499 -8.696 1.944 1.00 0.00 C ATOM 133 C ASP A 10 5.697 -7.574 1.310 1.00 0.00 C ATOM 134 O ASP A 10 6.087 -6.425 1.383 1.00 0.00 O ATOM 135 CB ASP A 10 6.452 -8.669 3.505 1.00 0.00 C ATOM 136 CG ASP A 10 5.027 -8.786 4.106 1.00 0.00 C ATOM 137 OD1 ASP A 10 4.055 -8.731 3.371 1.00 0.00 O ATOM 138 OD2 ASP A 10 4.944 -8.987 5.305 1.00 0.00 O ATOM 0 H ASP A 10 8.563 -8.197 2.156 1.00 0.00 H new ATOM 0 HA ASP A 10 6.039 -9.628 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.063 -9.486 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.905 -7.741 3.854 1.00 0.00 H new ATOM 143 N PHE A 11 4.563 -7.848 0.758 1.00 0.00 N ATOM 144 CA PHE A 11 3.781 -6.705 0.186 1.00 0.00 C ATOM 145 C PHE A 11 2.326 -6.877 0.667 1.00 0.00 C ATOM 146 O PHE A 11 1.476 -6.180 0.218 1.00 0.00 O ATOM 147 CB PHE A 11 3.796 -6.774 -1.368 1.00 0.00 C ATOM 148 CG PHE A 11 2.968 -5.676 -2.025 1.00 0.00 C ATOM 149 CD1 PHE A 11 3.466 -4.360 -2.185 1.00 0.00 C ATOM 150 CD2 PHE A 11 1.692 -5.994 -2.537 1.00 0.00 C ATOM 151 CE1 PHE A 11 2.693 -3.389 -2.853 1.00 0.00 C ATOM 152 CE2 PHE A 11 0.922 -5.016 -3.190 1.00 0.00 C ATOM 153 CZ PHE A 11 1.423 -3.717 -3.352 1.00 0.00 C ATOM 0 H PHE A 11 4.143 -8.774 0.672 1.00 0.00 H new ATOM 0 HA PHE A 11 4.208 -5.753 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.826 -6.703 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.417 -7.745 -1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.439 -4.100 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.304 -6.996 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.080 -2.389 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.058 -5.266 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.832 -2.969 -3.860 1.00 0.00 H new ATOM 163 N GLY A 12 2.013 -7.729 1.618 1.00 0.00 N ATOM 164 CA GLY A 12 0.565 -7.804 2.032 1.00 0.00 C ATOM 165 C GLY A 12 -0.019 -6.415 2.319 1.00 0.00 C ATOM 166 O GLY A 12 -0.861 -5.908 1.592 1.00 0.00 O ATOM 0 H GLY A 12 2.658 -8.349 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.014 -8.286 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.473 -8.428 2.921 1.00 0.00 H new ATOM 170 N PRO A 13 0.478 -5.770 3.340 1.00 0.00 N ATOM 171 CA PRO A 13 0.006 -4.427 3.744 1.00 0.00 C ATOM 172 C PRO A 13 -0.261 -3.539 2.532 1.00 0.00 C ATOM 173 O PRO A 13 -1.386 -3.165 2.262 1.00 0.00 O ATOM 174 CB PRO A 13 1.155 -3.876 4.598 1.00 0.00 C ATOM 175 CG PRO A 13 2.238 -4.895 4.480 1.00 0.00 C ATOM 176 CD PRO A 13 1.557 -6.245 4.210 1.00 0.00 C ATOM 0 HA PRO A 13 -0.940 -4.462 4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.486 -2.903 4.236 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.848 -3.742 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.922 -4.639 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.829 -4.937 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.215 -6.960 3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.190 -6.723 5.118 1.00 0.00 H new ATOM 184 N GLN A 14 0.760 -3.188 1.798 1.00 0.00 N ATOM 185 CA GLN A 14 0.530 -2.309 0.631 1.00 0.00 C ATOM 186 C GLN A 14 -0.513 -2.947 -0.284 1.00 0.00 C ATOM 187 O GLN A 14 -1.146 -2.253 -1.025 1.00 0.00 O ATOM 188 CB GLN A 14 1.845 -2.039 -0.138 1.00 0.00 C ATOM 189 CG GLN A 14 2.768 -1.100 0.669 1.00 0.00 C ATOM 190 CD GLN A 14 4.098 -0.902 -0.061 1.00 0.00 C ATOM 191 OE1 GLN A 14 4.616 0.192 -0.112 1.00 0.00 O ATOM 192 NE2 GLN A 14 4.664 -1.925 -0.640 1.00 0.00 N ATOM 0 H GLN A 14 1.727 -3.470 1.957 1.00 0.00 H new ATOM 0 HA GLN A 14 0.159 -1.347 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.358 -2.981 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.620 -1.592 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.279 -0.137 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.948 -1.519 1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.224 -2.844 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.546 -1.805 -1.138 1.00 0.00 H new ATOM 201 N ALA A 15 -0.716 -4.242 -0.255 1.00 0.00 N ATOM 202 CA ALA A 15 -1.737 -4.800 -1.183 1.00 0.00 C ATOM 203 C ALA A 15 -3.097 -4.341 -0.706 1.00 0.00 C ATOM 204 O ALA A 15 -3.941 -3.965 -1.492 1.00 0.00 O ATOM 205 CB ALA A 15 -1.666 -6.329 -1.272 1.00 0.00 C ATOM 0 H ALA A 15 -0.238 -4.912 0.348 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.546 -4.435 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.430 -6.689 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.682 -6.627 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.836 -6.759 -0.285 1.00 0.00 H new ATOM 211 N PHE A 16 -3.307 -4.287 0.582 1.00 0.00 N ATOM 212 CA PHE A 16 -4.615 -3.814 1.067 1.00 0.00 C ATOM 213 C PHE A 16 -4.714 -2.395 0.543 1.00 0.00 C ATOM 214 O PHE A 16 -5.694 -1.985 -0.008 1.00 0.00 O ATOM 215 CB PHE A 16 -4.650 -3.851 2.613 1.00 0.00 C ATOM 216 CG PHE A 16 -5.219 -5.171 3.112 1.00 0.00 C ATOM 217 CD1 PHE A 16 -6.542 -5.529 2.796 1.00 0.00 C ATOM 218 CD2 PHE A 16 -4.423 -6.035 3.894 1.00 0.00 C ATOM 219 CE1 PHE A 16 -7.070 -6.751 3.261 1.00 0.00 C ATOM 220 CE2 PHE A 16 -4.956 -7.256 4.357 1.00 0.00 C ATOM 221 CZ PHE A 16 -6.277 -7.612 4.040 1.00 0.00 C ATOM 0 H PHE A 16 -2.634 -4.548 1.303 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.448 -4.430 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.643 -3.712 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.255 -3.025 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.153 -4.869 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.407 -5.762 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.086 -7.026 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.348 -7.918 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.684 -8.547 4.395 1.00 0.00 H new ATOM 231 N LYS A 17 -3.659 -1.660 0.651 1.00 0.00 N ATOM 232 CA LYS A 17 -3.693 -0.275 0.132 1.00 0.00 C ATOM 233 C LYS A 17 -3.905 -0.289 -1.391 1.00 0.00 C ATOM 234 O LYS A 17 -4.726 0.452 -1.888 1.00 0.00 O ATOM 235 CB LYS A 17 -2.397 0.444 0.543 1.00 0.00 C ATOM 236 CG LYS A 17 -2.235 0.540 2.085 1.00 0.00 C ATOM 237 CD LYS A 17 -1.282 1.675 2.549 1.00 0.00 C ATOM 238 CE LYS A 17 0.189 1.311 2.211 1.00 0.00 C ATOM 239 NZ LYS A 17 0.689 0.252 3.132 1.00 0.00 N ATOM 0 H LYS A 17 -2.778 -1.952 1.073 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.531 0.275 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.542 -0.086 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.391 1.447 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.216 0.696 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.860 -0.412 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.554 2.611 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.388 1.833 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.257 0.966 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.817 2.198 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.694 0.068 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.580 0.568 4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.143 -0.621 2.986 1.00 0.00 H new ATOM 253 N LEU A 18 -3.233 -1.124 -2.163 1.00 0.00 N ATOM 254 CA LEU A 18 -3.511 -1.099 -3.628 1.00 0.00 C ATOM 255 C LEU A 18 -4.959 -1.537 -3.784 1.00 0.00 C ATOM 256 O LEU A 18 -5.714 -0.931 -4.501 1.00 0.00 O ATOM 257 CB LEU A 18 -2.579 -2.073 -4.409 1.00 0.00 C ATOM 258 CG LEU A 18 -2.923 -2.143 -5.912 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.204 -2.961 -6.144 1.00 0.00 C ATOM 260 CD2 LEU A 18 -3.074 -0.733 -6.503 1.00 0.00 C ATOM 0 H LEU A 18 -2.531 -1.795 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.332 -0.103 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.544 -1.753 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.656 -3.070 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.100 -2.644 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.425 -2.996 -7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.061 -3.975 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.035 -2.493 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.316 -0.807 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.874 -0.205 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.139 -0.186 -6.382 1.00 0.00 H new ATOM 272 N LEU A 19 -5.354 -2.567 -3.093 1.00 0.00 N ATOM 273 CA LEU A 19 -6.748 -3.032 -3.220 1.00 0.00 C ATOM 274 C LEU A 19 -7.767 -1.911 -2.842 1.00 0.00 C ATOM 275 O LEU A 19 -8.700 -1.670 -3.612 1.00 0.00 O ATOM 276 CB LEU A 19 -6.926 -4.336 -2.406 1.00 0.00 C ATOM 277 CG LEU A 19 -6.029 -5.494 -2.902 1.00 0.00 C ATOM 278 CD1 LEU A 19 -5.680 -6.515 -1.779 1.00 0.00 C ATOM 279 CD2 LEU A 19 -6.786 -6.245 -4.010 1.00 0.00 C ATOM 0 H LEU A 19 -4.770 -3.101 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.965 -3.265 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.702 -4.135 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.969 -4.647 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.095 -5.059 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.049 -7.304 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.149 -6.005 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.598 -6.952 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.172 -7.068 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.720 -6.639 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.003 -5.561 -4.830 1.00 0.00 H new ATOM 291 N SER A 20 -7.704 -1.225 -1.693 1.00 0.00 N ATOM 292 CA SER A 20 -8.819 -0.208 -1.494 1.00 0.00 C ATOM 293 C SER A 20 -8.668 0.979 -2.488 1.00 0.00 C ATOM 294 O SER A 20 -9.598 1.762 -2.687 1.00 0.00 O ATOM 295 CB SER A 20 -8.904 0.301 -0.044 1.00 0.00 C ATOM 296 OG SER A 20 -10.027 1.162 0.090 1.00 0.00 O ATOM 0 H SER A 20 -7.004 -1.311 -0.956 1.00 0.00 H new ATOM 0 HA SER A 20 -9.757 -0.723 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.993 -0.540 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.990 0.833 0.220 1.00 0.00 H new ATOM 0 HG SER A 20 -10.276 1.515 -0.790 1.00 0.00 H new ATOM 302 N ALA A 21 -7.531 1.158 -3.116 1.00 0.00 N ATOM 303 CA ALA A 21 -7.406 2.331 -4.044 1.00 0.00 C ATOM 304 C ALA A 21 -8.075 2.045 -5.400 1.00 0.00 C ATOM 305 O ALA A 21 -8.936 2.788 -5.825 1.00 0.00 O ATOM 306 CB ALA A 21 -5.936 2.716 -4.261 1.00 0.00 C ATOM 0 H ALA A 21 -6.706 0.564 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.920 3.168 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.879 3.569 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.484 2.981 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.399 1.872 -4.695 1.00 0.00 H new ATOM 312 N VAL A 22 -7.716 0.983 -6.086 1.00 0.00 N ATOM 313 CA VAL A 22 -8.367 0.708 -7.414 1.00 0.00 C ATOM 314 C VAL A 22 -9.861 0.532 -7.159 1.00 0.00 C ATOM 315 O VAL A 22 -10.692 1.058 -7.861 1.00 0.00 O ATOM 316 CB VAL A 22 -7.716 -0.567 -8.050 1.00 0.00 C ATOM 317 CG1 VAL A 22 -6.271 -0.332 -8.511 1.00 0.00 C ATOM 318 CG2 VAL A 22 -7.742 -1.766 -7.067 1.00 0.00 C ATOM 0 H VAL A 22 -7.013 0.304 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.224 1.526 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.320 -0.797 -8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.873 -1.250 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.252 0.459 -9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.660 -0.038 -7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.283 -2.634 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.188 -1.509 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.774 -1.999 -6.805 1.00 0.00 H new ATOM 328 N ASP A 23 -10.175 -0.181 -6.138 1.00 0.00 N ATOM 329 CA ASP A 23 -11.594 -0.417 -5.781 1.00 0.00 C ATOM 330 C ASP A 23 -12.263 0.927 -5.493 1.00 0.00 C ATOM 331 O ASP A 23 -13.339 1.202 -5.986 1.00 0.00 O ATOM 332 CB ASP A 23 -11.670 -1.309 -4.540 1.00 0.00 C ATOM 333 CG ASP A 23 -13.135 -1.536 -4.162 1.00 0.00 C ATOM 334 OD1 ASP A 23 -13.992 -0.951 -4.804 1.00 0.00 O ATOM 335 OD2 ASP A 23 -13.373 -2.292 -3.232 1.00 0.00 O ATOM 0 H ASP A 23 -9.499 -0.624 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.105 -0.913 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.182 -2.264 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.138 -0.843 -3.711 1.00 0.00 H new ATOM 340 N ILE A 24 -11.644 1.794 -4.718 1.00 0.00 N ATOM 341 CA ILE A 24 -12.319 3.105 -4.452 1.00 0.00 C ATOM 342 C ILE A 24 -12.477 3.827 -5.804 1.00 0.00 C ATOM 343 O ILE A 24 -13.507 4.383 -6.116 1.00 0.00 O ATOM 344 CB ILE A 24 -11.501 3.941 -3.417 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.789 3.432 -1.992 1.00 0.00 C ATOM 346 CG2 ILE A 24 -11.852 5.441 -3.479 1.00 0.00 C ATOM 347 CD1 ILE A 24 -13.085 4.056 -1.458 1.00 0.00 C ATOM 0 H ILE A 24 -10.736 1.657 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.304 2.959 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.447 3.821 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.875 2.345 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.958 3.683 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.260 5.984 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.633 5.825 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.912 5.576 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.278 3.688 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.984 5.141 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.916 3.783 -2.109 1.00 0.00 H new ATOM 359 N LEU A 25 -11.451 3.771 -6.614 1.00 0.00 N ATOM 360 CA LEU A 25 -11.489 4.411 -7.963 1.00 0.00 C ATOM 361 C LEU A 25 -12.511 3.649 -8.794 1.00 0.00 C ATOM 362 O LEU A 25 -12.770 3.965 -9.937 1.00 0.00 O ATOM 363 CB LEU A 25 -10.089 4.327 -8.595 1.00 0.00 C ATOM 364 CG LEU A 25 -9.166 5.412 -7.995 1.00 0.00 C ATOM 365 CD1 LEU A 25 -7.702 4.973 -8.078 1.00 0.00 C ATOM 366 CD2 LEU A 25 -9.339 6.729 -8.768 1.00 0.00 C ATOM 0 H LEU A 25 -10.573 3.300 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.771 5.462 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.662 3.339 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.161 4.457 -9.675 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.439 5.558 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.065 5.748 -7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.568 4.046 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.429 4.812 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.686 7.490 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.078 6.573 -9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.375 7.059 -8.697 1.00 0.00 H new ATOM 378 N GLY A 26 -13.088 2.625 -8.206 1.00 0.00 N ATOM 379 CA GLY A 26 -14.111 1.802 -8.910 1.00 0.00 C ATOM 380 C GLY A 26 -13.450 0.989 -10.027 1.00 0.00 C ATOM 381 O GLY A 26 -14.122 0.399 -10.838 1.00 0.00 O ATOM 0 H GLY A 26 -12.886 2.325 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.601 1.133 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.885 2.447 -9.327 1.00 0.00 H new ATOM 385 N GLU A 27 -12.133 0.968 -10.038 1.00 0.00 N ATOM 386 CA GLU A 27 -11.337 0.209 -11.073 1.00 0.00 C ATOM 387 C GLU A 27 -11.589 0.710 -12.519 1.00 0.00 C ATOM 388 O GLU A 27 -11.053 0.143 -13.451 1.00 0.00 O ATOM 389 CB GLU A 27 -11.651 -1.302 -11.048 1.00 0.00 C ATOM 390 CG GLU A 27 -11.235 -1.981 -9.721 1.00 0.00 C ATOM 391 CD GLU A 27 -11.705 -3.442 -9.713 1.00 0.00 C ATOM 392 OE1 GLU A 27 -12.166 -3.911 -10.745 1.00 0.00 O ATOM 393 OE2 GLU A 27 -11.591 -4.069 -8.676 1.00 0.00 O ATOM 0 H GLU A 27 -11.558 1.459 -9.353 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.296 0.388 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.719 -1.449 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.136 -1.789 -11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.152 -1.937 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.669 -1.445 -8.877 1.00 0.00 H new ATOM 400 N LYS A 28 -12.353 1.758 -12.753 1.00 0.00 N ATOM 401 CA LYS A 28 -12.545 2.201 -14.189 1.00 0.00 C ATOM 402 C LYS A 28 -11.344 3.061 -14.595 1.00 0.00 C ATOM 403 O LYS A 28 -11.435 4.038 -15.305 1.00 0.00 O ATOM 404 CB LYS A 28 -13.906 2.943 -14.370 1.00 0.00 C ATOM 405 CG LYS A 28 -15.138 2.099 -13.953 1.00 0.00 C ATOM 406 CD LYS A 28 -15.371 0.886 -14.913 1.00 0.00 C ATOM 407 CE LYS A 28 -16.625 0.106 -14.498 1.00 0.00 C ATOM 408 NZ LYS A 28 -17.843 0.863 -14.908 1.00 0.00 N ATOM 0 H LYS A 28 -12.837 2.311 -12.046 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.590 1.335 -14.849 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.890 3.861 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.014 3.235 -15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.000 1.734 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.025 2.732 -13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.479 1.241 -15.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.503 0.227 -14.894 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.623 -0.880 -14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.628 -0.051 -13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.688 0.282 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.908 1.742 -14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.784 1.094 -15.920 1.00 0.00 H new ATOM 422 N PHE A 29 -10.183 2.680 -14.187 1.00 0.00 N ATOM 423 CA PHE A 29 -8.996 3.495 -14.568 1.00 0.00 C ATOM 424 C PHE A 29 -7.797 2.580 -14.798 1.00 0.00 C ATOM 425 O PHE A 29 -7.741 1.453 -14.329 1.00 0.00 O ATOM 426 CB PHE A 29 -8.665 4.489 -13.462 1.00 0.00 C ATOM 427 CG PHE A 29 -9.836 5.409 -13.276 1.00 0.00 C ATOM 428 CD1 PHE A 29 -10.873 5.056 -12.407 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.882 6.616 -13.973 1.00 0.00 C ATOM 430 CE1 PHE A 29 -11.967 5.916 -12.243 1.00 0.00 C ATOM 431 CE2 PHE A 29 -10.979 7.483 -13.809 1.00 0.00 C ATOM 432 CZ PHE A 29 -12.027 7.128 -12.945 1.00 0.00 C ATOM 0 H PHE A 29 -9.995 1.856 -13.616 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.223 4.040 -15.484 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.447 3.962 -12.533 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.773 5.060 -13.721 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.831 4.123 -11.864 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.076 6.886 -14.639 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.768 5.644 -11.572 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.014 8.419 -14.347 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.875 7.785 -12.822 1.00 0.00 H new ATOM 442 N GLY A 30 -6.852 3.100 -15.540 1.00 0.00 N ATOM 443 CA GLY A 30 -5.610 2.358 -15.893 1.00 0.00 C ATOM 444 C GLY A 30 -4.578 2.510 -14.760 1.00 0.00 C ATOM 445 O GLY A 30 -4.839 3.114 -13.738 1.00 0.00 O ATOM 0 H GLY A 30 -6.896 4.042 -15.928 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.837 1.304 -16.053 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.199 2.741 -16.827 1.00 0.00 H new ATOM 449 N ILE A 31 -3.413 1.940 -14.943 1.00 0.00 N ATOM 450 CA ILE A 31 -2.324 2.022 -13.895 1.00 0.00 C ATOM 451 C ILE A 31 -1.769 3.458 -13.724 1.00 0.00 C ATOM 452 O ILE A 31 -1.273 3.836 -12.656 1.00 0.00 O ATOM 453 CB ILE A 31 -1.184 1.089 -14.319 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.045 1.198 -13.297 1.00 0.00 C ATOM 455 CG2 ILE A 31 -0.674 1.499 -15.702 1.00 0.00 C ATOM 456 CD1 ILE A 31 0.976 0.078 -13.526 1.00 0.00 C ATOM 0 H ILE A 31 -3.158 1.414 -15.779 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.751 1.727 -12.936 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.544 0.061 -14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.442 2.169 -13.386 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.446 1.134 -12.285 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.137 0.835 -16.002 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.487 1.430 -16.425 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.308 2.525 -15.665 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.780 0.164 -12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.486 -0.889 -13.414 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.388 0.162 -14.532 1.00 0.00 H new ATOM 468 N GLY A 32 -1.800 4.225 -14.779 1.00 0.00 N ATOM 469 CA GLY A 32 -1.255 5.626 -14.757 1.00 0.00 C ATOM 470 C GLY A 32 -1.934 6.540 -13.723 1.00 0.00 C ATOM 471 O GLY A 32 -1.297 7.026 -12.809 1.00 0.00 O ATOM 0 H GLY A 32 -2.187 3.939 -15.678 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.186 5.587 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.369 6.066 -15.748 1.00 0.00 H new ATOM 475 N LEU A 33 -3.200 6.834 -13.890 1.00 0.00 N ATOM 476 CA LEU A 33 -3.890 7.752 -12.925 1.00 0.00 C ATOM 477 C LEU A 33 -3.642 7.307 -11.461 1.00 0.00 C ATOM 478 O LEU A 33 -3.253 8.121 -10.651 1.00 0.00 O ATOM 479 CB LEU A 33 -5.405 7.827 -13.248 1.00 0.00 C ATOM 480 CG LEU A 33 -6.199 8.490 -12.090 1.00 0.00 C ATOM 481 CD1 LEU A 33 -5.738 9.947 -11.896 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.689 8.474 -12.450 1.00 0.00 C ATOM 0 H LEU A 33 -3.785 6.481 -14.648 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.470 8.752 -13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.555 8.395 -14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.790 6.823 -13.428 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.024 7.940 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.302 10.402 -11.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.675 9.963 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.910 10.509 -12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.262 8.936 -11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.846 9.030 -13.374 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.020 7.444 -12.585 1.00 0.00 H new ATOM 494 N PRO A 34 -3.851 6.060 -11.094 1.00 0.00 N ATOM 495 CA PRO A 34 -3.633 5.586 -9.686 1.00 0.00 C ATOM 496 C PRO A 34 -2.154 5.559 -9.254 1.00 0.00 C ATOM 497 O PRO A 34 -1.856 5.646 -8.082 1.00 0.00 O ATOM 498 CB PRO A 34 -4.202 4.172 -9.731 1.00 0.00 C ATOM 499 CG PRO A 34 -4.007 3.751 -11.152 1.00 0.00 C ATOM 500 CD PRO A 34 -4.303 4.991 -12.015 1.00 0.00 C ATOM 0 HA PRO A 34 -4.100 6.251 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.679 3.509 -9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.255 4.156 -9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.989 3.397 -11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.676 2.930 -11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.748 4.988 -12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.359 5.079 -12.269 1.00 0.00 H new ATOM 508 N ILE A 35 -1.209 5.473 -10.150 1.00 0.00 N ATOM 509 CA ILE A 35 0.227 5.489 -9.670 1.00 0.00 C ATOM 510 C ILE A 35 0.464 6.810 -8.909 1.00 0.00 C ATOM 511 O ILE A 35 1.019 6.820 -7.831 1.00 0.00 O ATOM 512 CB ILE A 35 1.144 5.357 -10.879 1.00 0.00 C ATOM 513 CG1 ILE A 35 2.438 4.624 -10.502 1.00 0.00 C ATOM 514 CG2 ILE A 35 1.459 6.730 -11.474 1.00 0.00 C ATOM 515 CD1 ILE A 35 3.360 4.492 -11.728 1.00 0.00 C ATOM 0 H ILE A 35 -1.346 5.395 -11.158 1.00 0.00 H new ATOM 0 HA ILE A 35 0.438 4.659 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 35 0.624 4.768 -11.635 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.953 5.167 -9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.202 3.635 -10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.115 6.611 -12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.533 7.212 -11.787 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.954 7.347 -10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.273 3.970 -11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.849 3.929 -12.509 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.612 5.484 -12.102 1.00 0.00 H new ATOM 527 N LEU A 36 -0.002 7.915 -9.446 1.00 0.00 N ATOM 528 CA LEU A 36 0.103 9.217 -8.714 1.00 0.00 C ATOM 529 C LEU A 36 -0.695 9.170 -7.390 1.00 0.00 C ATOM 530 O LEU A 36 -0.230 9.641 -6.360 1.00 0.00 O ATOM 531 CB LEU A 36 -0.424 10.366 -9.586 1.00 0.00 C ATOM 532 CG LEU A 36 0.429 10.511 -10.853 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.148 11.625 -11.741 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.874 10.863 -10.473 1.00 0.00 C ATOM 0 H LEU A 36 -0.451 7.970 -10.360 1.00 0.00 H new ATOM 0 HA LEU A 36 1.155 9.389 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.462 10.177 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.407 11.297 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 36 0.418 9.567 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.460 11.725 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.171 11.374 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.143 12.567 -11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.474 10.964 -11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.887 11.803 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.289 10.071 -9.849 1.00 0.00 H new ATOM 546 N PHE A 37 -1.897 8.623 -7.406 1.00 0.00 N ATOM 547 CA PHE A 37 -2.701 8.516 -6.137 1.00 0.00 C ATOM 548 C PHE A 37 -1.940 7.624 -5.167 1.00 0.00 C ATOM 549 O PHE A 37 -2.091 8.344 -4.188 1.00 0.00 O ATOM 550 CB PHE A 37 -4.057 7.780 -6.384 1.00 0.00 C ATOM 551 CG PHE A 37 -5.057 7.863 -5.248 1.00 0.00 C ATOM 552 CD1 PHE A 37 -4.870 7.071 -4.091 1.00 0.00 C ATOM 553 CD2 PHE A 37 -6.228 8.621 -5.382 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.838 7.057 -3.077 1.00 0.00 C ATOM 555 CE2 PHE A 37 -7.214 8.594 -4.380 1.00 0.00 C ATOM 556 CZ PHE A 37 -7.018 7.811 -3.224 1.00 0.00 C ATOM 0 H PHE A 37 -2.352 8.249 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.871 9.526 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.517 8.193 -7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.849 6.729 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.976 6.474 -3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.374 9.230 -6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.679 6.469 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.119 9.172 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.773 7.790 -2.452 1.00 0.00 H new ATOM 566 N LEU A 38 -1.294 6.524 -5.101 1.00 0.00 N ATOM 567 CA LEU A 38 -0.725 6.081 -3.877 1.00 0.00 C ATOM 568 C LEU A 38 0.367 7.068 -3.442 1.00 0.00 C ATOM 569 O LEU A 38 0.539 7.260 -2.270 1.00 0.00 O ATOM 570 CB LEU A 38 -0.253 4.659 -4.196 1.00 0.00 C ATOM 571 CG LEU A 38 -1.514 3.764 -4.515 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.103 2.436 -5.209 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.302 3.435 -3.221 1.00 0.00 C ATOM 0 H LEU A 38 -1.141 5.899 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.399 6.052 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.428 4.669 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.299 4.246 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.149 4.337 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.994 1.842 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.590 2.658 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.436 1.875 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.166 2.818 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.656 2.895 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.639 4.361 -2.755 1.00 0.00 H new ATOM 585 N ARG A 39 1.081 7.709 -4.333 1.00 0.00 N ATOM 586 CA ARG A 39 2.169 8.655 -3.906 1.00 0.00 C ATOM 587 C ARG A 39 1.655 9.988 -3.280 1.00 0.00 C ATOM 588 O ARG A 39 2.433 10.757 -2.762 1.00 0.00 O ATOM 589 CB ARG A 39 3.029 8.985 -5.138 1.00 0.00 C ATOM 590 CG ARG A 39 3.601 7.700 -5.759 1.00 0.00 C ATOM 591 CD ARG A 39 4.848 8.012 -6.596 1.00 0.00 C ATOM 592 NE ARG A 39 6.028 8.102 -5.690 1.00 0.00 N ATOM 593 CZ ARG A 39 7.231 7.971 -6.172 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.397 7.743 -7.447 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.265 8.062 -5.383 1.00 0.00 N ATOM 0 H ARG A 39 0.960 7.621 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 39 2.735 8.151 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.428 9.516 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.843 9.651 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.854 6.990 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.846 7.225 -6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.005 7.234 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.715 8.950 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 39 5.894 8.266 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.586 7.668 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.337 7.640 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.133 8.236 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.206 7.959 -5.762 1.00 0.00 H new ATOM 609 N GLY A 40 0.369 10.235 -3.256 1.00 0.00 N ATOM 610 CA GLY A 40 -0.162 11.482 -2.619 1.00 0.00 C ATOM 611 C GLY A 40 0.111 12.657 -3.523 1.00 0.00 C ATOM 612 O GLY A 40 0.719 13.629 -3.133 1.00 0.00 O ATOM 0 H GLY A 40 -0.342 9.622 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.233 11.386 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.309 11.638 -1.649 1.00 0.00 H new ATOM 616 N SER A 41 -0.335 12.567 -4.746 1.00 0.00 N ATOM 617 CA SER A 41 -0.098 13.700 -5.718 1.00 0.00 C ATOM 618 C SER A 41 -1.016 14.937 -5.466 1.00 0.00 C ATOM 619 O SER A 41 -2.083 14.854 -4.851 1.00 0.00 O ATOM 620 CB SER A 41 -0.078 13.235 -7.157 1.00 0.00 C ATOM 621 OG SER A 41 -1.379 12.803 -7.527 1.00 0.00 O ATOM 0 H SER A 41 -0.850 11.771 -5.122 1.00 0.00 H new ATOM 0 HA SER A 41 0.909 14.064 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.248 14.045 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.637 12.421 -7.279 1.00 0.00 H new ATOM 0 HG SER A 41 -1.575 13.100 -8.440 1.00 0.00 H new ATOM 627 N ASN A 42 -0.590 16.086 -5.930 1.00 0.00 N ATOM 628 CA ASN A 42 -1.400 17.346 -5.773 1.00 0.00 C ATOM 629 C ASN A 42 -2.288 17.400 -7.019 1.00 0.00 C ATOM 630 O ASN A 42 -1.847 17.658 -8.119 1.00 0.00 O ATOM 631 CB ASN A 42 -0.550 18.617 -5.694 1.00 0.00 C ATOM 632 CG ASN A 42 -1.464 19.813 -5.397 1.00 0.00 C ATOM 633 OD1 ASN A 42 -2.329 20.140 -6.185 1.00 0.00 O ATOM 634 ND2 ASN A 42 -1.319 20.471 -4.279 1.00 0.00 N ATOM 0 H ASN A 42 0.297 16.211 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.955 17.315 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.204 18.517 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.019 18.773 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.932 21.259 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.593 20.197 -3.617 1.00 0.00 H new ATOM 641 N SER A 43 -3.561 17.153 -6.811 1.00 0.00 N ATOM 642 CA SER A 43 -4.568 17.175 -7.915 1.00 0.00 C ATOM 643 C SER A 43 -5.938 17.611 -7.389 1.00 0.00 C ATOM 644 O SER A 43 -6.428 17.108 -6.407 1.00 0.00 O ATOM 645 CB SER A 43 -4.685 15.778 -8.523 1.00 0.00 C ATOM 646 OG SER A 43 -5.621 15.812 -9.589 1.00 0.00 O ATOM 0 H SER A 43 -3.951 16.931 -5.895 1.00 0.00 H new ATOM 0 HA SER A 43 -4.239 17.887 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.713 15.444 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.005 15.063 -7.765 1.00 0.00 H new ATOM 0 HG SER A 43 -5.699 14.919 -9.984 1.00 0.00 H new ATOM 652 N GLN A 44 -6.549 18.573 -8.027 1.00 0.00 N ATOM 653 CA GLN A 44 -7.876 19.062 -7.553 1.00 0.00 C ATOM 654 C GLN A 44 -8.979 18.007 -7.771 1.00 0.00 C ATOM 655 O GLN A 44 -9.835 17.824 -6.928 1.00 0.00 O ATOM 656 CB GLN A 44 -8.243 20.334 -8.320 1.00 0.00 C ATOM 657 CG GLN A 44 -9.500 20.956 -7.705 1.00 0.00 C ATOM 658 CD GLN A 44 -9.183 21.471 -6.301 1.00 0.00 C ATOM 659 OE1 GLN A 44 -8.365 22.352 -6.138 1.00 0.00 O ATOM 660 NE2 GLN A 44 -9.798 20.952 -5.274 1.00 0.00 N ATOM 0 H GLN A 44 -6.186 19.042 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.803 19.263 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.417 21.045 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.416 20.101 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.857 21.774 -8.331 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.299 20.216 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.486 20.211 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.591 21.287 -4.333 1.00 0.00 H new ATOM 669 N ARG A 45 -8.996 17.343 -8.899 1.00 0.00 N ATOM 670 CA ARG A 45 -10.076 16.330 -9.158 1.00 0.00 C ATOM 671 C ARG A 45 -10.064 15.210 -8.107 1.00 0.00 C ATOM 672 O ARG A 45 -11.098 14.829 -7.574 1.00 0.00 O ATOM 673 CB ARG A 45 -9.855 15.718 -10.550 1.00 0.00 C ATOM 674 CG ARG A 45 -11.002 14.745 -10.893 1.00 0.00 C ATOM 675 CD ARG A 45 -10.805 14.163 -12.302 1.00 0.00 C ATOM 676 NE ARG A 45 -12.001 13.347 -12.675 1.00 0.00 N ATOM 677 CZ ARG A 45 -12.093 12.105 -12.288 1.00 0.00 C ATOM 678 NH1 ARG A 45 -11.142 11.562 -11.579 1.00 0.00 N ATOM 679 NH2 ARG A 45 -13.146 11.402 -12.615 1.00 0.00 N ATOM 0 H ARG A 45 -8.315 17.454 -9.650 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.041 16.833 -9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.803 16.509 -11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.901 15.191 -10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.035 13.939 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.958 15.265 -10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.661 14.968 -13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.907 13.546 -12.330 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.747 13.763 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.320 12.109 -11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.221 10.590 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.890 11.826 -13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.224 10.430 -12.315 1.00 0.00 H new ATOM 693 N LEU A 46 -8.917 14.669 -7.805 1.00 0.00 N ATOM 694 CA LEU A 46 -8.856 13.574 -6.791 1.00 0.00 C ATOM 695 C LEU A 46 -9.048 14.179 -5.398 1.00 0.00 C ATOM 696 O LEU A 46 -9.446 13.513 -4.458 1.00 0.00 O ATOM 697 CB LEU A 46 -7.481 12.889 -6.884 1.00 0.00 C ATOM 698 CG LEU A 46 -7.313 12.158 -8.231 1.00 0.00 C ATOM 699 CD1 LEU A 46 -5.843 11.775 -8.415 1.00 0.00 C ATOM 700 CD2 LEU A 46 -8.165 10.885 -8.265 1.00 0.00 C ATOM 0 H LEU A 46 -8.021 14.935 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.639 12.838 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.693 13.633 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.370 12.178 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.637 12.823 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.718 11.258 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.229 12.675 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.533 11.119 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.032 10.384 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.855 10.218 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.215 11.146 -8.135 1.00 0.00 H new ATOM 712 N ALA A 47 -8.789 15.449 -5.254 1.00 0.00 N ATOM 713 CA ALA A 47 -8.990 16.066 -3.925 1.00 0.00 C ATOM 714 C ALA A 47 -10.425 15.815 -3.475 1.00 0.00 C ATOM 715 O ALA A 47 -10.644 15.427 -2.368 1.00 0.00 O ATOM 716 CB ALA A 47 -8.701 17.572 -3.982 1.00 0.00 C ATOM 0 H ALA A 47 -8.453 16.072 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.300 15.619 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.854 18.009 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.669 17.733 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.374 18.045 -4.697 1.00 0.00 H new ATOM 722 N ASP A 48 -11.412 16.021 -4.320 1.00 0.00 N ATOM 723 CA ASP A 48 -12.824 15.764 -3.887 1.00 0.00 C ATOM 724 C ASP A 48 -13.002 14.266 -3.621 1.00 0.00 C ATOM 725 O ASP A 48 -13.707 13.855 -2.723 1.00 0.00 O ATOM 726 CB ASP A 48 -13.805 16.210 -4.972 1.00 0.00 C ATOM 727 CG ASP A 48 -13.864 17.739 -5.015 1.00 0.00 C ATOM 728 OD1 ASP A 48 -13.417 18.356 -4.060 1.00 0.00 O ATOM 729 OD2 ASP A 48 -14.354 18.267 -5.999 1.00 0.00 O ATOM 0 H ASP A 48 -11.302 16.352 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.027 16.331 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.492 15.821 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.796 15.803 -4.770 1.00 0.00 H new ATOM 734 N GLN A 49 -12.331 13.455 -4.393 1.00 0.00 N ATOM 735 CA GLN A 49 -12.433 11.974 -4.193 1.00 0.00 C ATOM 736 C GLN A 49 -11.665 11.572 -2.920 1.00 0.00 C ATOM 737 O GLN A 49 -12.017 10.626 -2.246 1.00 0.00 O ATOM 738 CB GLN A 49 -11.826 11.254 -5.400 1.00 0.00 C ATOM 739 CG GLN A 49 -12.375 11.871 -6.685 1.00 0.00 C ATOM 740 CD GLN A 49 -13.904 11.825 -6.665 1.00 0.00 C ATOM 741 OE1 GLN A 49 -14.490 10.767 -6.558 1.00 0.00 O ATOM 742 NE2 GLN A 49 -14.579 12.938 -6.762 1.00 0.00 N ATOM 0 H GLN A 49 -11.717 13.749 -5.153 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.481 11.694 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.739 11.337 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.065 10.191 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.034 12.902 -6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.996 11.329 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.087 13.827 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.599 12.919 -6.748 1.00 0.00 H new ATOM 751 N TYR A 50 -10.618 12.287 -2.596 1.00 0.00 N ATOM 752 CA TYR A 50 -9.796 11.946 -1.386 1.00 0.00 C ATOM 753 C TYR A 50 -10.638 12.147 -0.117 1.00 0.00 C ATOM 754 O TYR A 50 -10.174 11.993 0.992 1.00 0.00 O ATOM 755 CB TYR A 50 -8.565 12.847 -1.359 1.00 0.00 C ATOM 756 CG TYR A 50 -7.440 12.129 -2.064 1.00 0.00 C ATOM 757 CD1 TYR A 50 -6.948 10.917 -1.545 1.00 0.00 C ATOM 758 CD2 TYR A 50 -6.894 12.657 -3.248 1.00 0.00 C ATOM 759 CE1 TYR A 50 -5.911 10.235 -2.206 1.00 0.00 C ATOM 760 CE2 TYR A 50 -5.859 11.972 -3.914 1.00 0.00 C ATOM 761 CZ TYR A 50 -5.368 10.762 -3.391 1.00 0.00 C ATOM 762 OH TYR A 50 -4.351 10.090 -4.042 1.00 0.00 O ATOM 0 H TYR A 50 -10.292 13.099 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.479 10.904 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.778 13.796 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.284 13.077 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.368 10.510 -0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.269 13.588 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.532 9.307 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.443 12.375 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.557 9.132 -4.070 1.00 0.00 H new ATOM 772 N ARG A 51 -11.865 12.520 -0.313 1.00 0.00 N ATOM 773 CA ARG A 51 -12.829 12.791 0.799 1.00 0.00 C ATOM 774 C ARG A 51 -13.036 11.569 1.703 1.00 0.00 C ATOM 775 O ARG A 51 -13.095 11.716 2.910 1.00 0.00 O ATOM 776 CB ARG A 51 -14.201 13.205 0.184 1.00 0.00 C ATOM 777 CG ARG A 51 -14.775 12.077 -0.686 1.00 0.00 C ATOM 778 CD ARG A 51 -16.104 12.532 -1.304 1.00 0.00 C ATOM 779 NE ARG A 51 -16.697 11.413 -2.088 1.00 0.00 N ATOM 780 CZ ARG A 51 -17.814 11.593 -2.740 1.00 0.00 C ATOM 781 NH1 ARG A 51 -18.402 12.753 -2.712 1.00 0.00 N ATOM 782 NH2 ARG A 51 -18.338 10.605 -3.415 1.00 0.00 N ATOM 0 H ARG A 51 -12.264 12.656 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.414 13.590 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.903 13.447 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.078 14.106 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.067 11.814 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.930 11.182 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.793 12.846 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.941 13.395 -1.949 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.231 10.506 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.991 13.521 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.275 12.895 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.875 9.696 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -19.210 10.742 -3.925 1.00 0.00 H new ATOM 796 N ARG A 52 -13.212 10.385 1.185 1.00 0.00 N ATOM 797 CA ARG A 52 -13.430 9.257 2.126 1.00 0.00 C ATOM 798 C ARG A 52 -12.190 8.382 2.167 1.00 0.00 C ATOM 799 O ARG A 52 -12.148 7.373 2.843 1.00 0.00 O ATOM 800 CB ARG A 52 -14.630 8.429 1.655 1.00 0.00 C ATOM 801 CG ARG A 52 -15.946 9.160 1.976 1.00 0.00 C ATOM 802 CD ARG A 52 -16.383 8.863 3.417 1.00 0.00 C ATOM 803 NE ARG A 52 -17.716 9.479 3.669 1.00 0.00 N ATOM 804 CZ ARG A 52 -18.167 9.573 4.888 1.00 0.00 C ATOM 805 NH1 ARG A 52 -17.458 9.117 5.883 1.00 0.00 N ATOM 806 NH2 ARG A 52 -19.335 10.118 5.111 1.00 0.00 N ATOM 0 H ARG A 52 -13.215 10.156 0.191 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.627 9.647 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.558 8.251 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.620 7.454 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.815 10.234 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.724 8.845 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.432 7.786 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.649 9.258 4.120 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.274 9.826 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.550 8.687 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.811 9.191 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.891 10.469 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.689 10.192 6.065 1.00 0.00 H new ATOM 820 N HIS A 53 -11.189 8.755 1.426 1.00 0.00 N ATOM 821 CA HIS A 53 -9.940 7.950 1.356 1.00 0.00 C ATOM 822 C HIS A 53 -8.808 8.550 2.197 1.00 0.00 C ATOM 823 O HIS A 53 -8.341 9.640 1.935 1.00 0.00 O ATOM 824 CB HIS A 53 -9.532 7.917 -0.086 1.00 0.00 C ATOM 825 CG HIS A 53 -8.763 6.649 -0.349 1.00 0.00 C ATOM 826 ND1 HIS A 53 -9.401 5.461 -0.688 1.00 0.00 N ATOM 827 CD2 HIS A 53 -7.425 6.356 -0.308 1.00 0.00 C ATOM 828 CE1 HIS A 53 -8.451 4.521 -0.837 1.00 0.00 C ATOM 829 NE2 HIS A 53 -7.233 5.015 -0.616 1.00 0.00 N ATOM 0 H HIS A 53 -11.183 9.600 0.855 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.127 6.954 1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.412 7.964 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.918 8.786 -0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.640 7.060 -0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.650 3.493 -1.103 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.346 4.514 -0.663 1.00 0.00 H new ATOM 838 N SER A 54 -8.342 7.841 3.190 1.00 0.00 N ATOM 839 CA SER A 54 -7.233 8.375 4.038 1.00 0.00 C ATOM 840 C SER A 54 -5.855 7.917 3.507 1.00 0.00 C ATOM 841 O SER A 54 -4.850 8.551 3.746 1.00 0.00 O ATOM 842 CB SER A 54 -7.409 7.872 5.470 1.00 0.00 C ATOM 843 OG SER A 54 -6.467 8.522 6.315 1.00 0.00 O ATOM 0 H SER A 54 -8.680 6.915 3.452 1.00 0.00 H new ATOM 0 HA SER A 54 -7.271 9.464 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.423 8.071 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.265 6.792 5.509 1.00 0.00 H new ATOM 0 HG SER A 54 -6.578 8.203 7.235 1.00 0.00 H new ATOM 849 N LEU A 55 -5.796 6.802 2.821 1.00 0.00 N ATOM 850 CA LEU A 55 -4.478 6.277 2.314 1.00 0.00 C ATOM 851 C LEU A 55 -3.766 7.339 1.442 1.00 0.00 C ATOM 852 O LEU A 55 -2.775 7.061 0.744 1.00 0.00 O ATOM 853 CB LEU A 55 -4.703 5.048 1.368 1.00 0.00 C ATOM 854 CG LEU A 55 -5.642 3.938 1.931 1.00 0.00 C ATOM 855 CD1 LEU A 55 -5.361 2.595 1.234 1.00 0.00 C ATOM 856 CD2 LEU A 55 -5.427 3.778 3.438 1.00 0.00 C ATOM 0 H LEU A 55 -6.605 6.226 2.587 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.888 6.012 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.116 5.407 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.734 4.602 1.142 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.674 4.234 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.024 1.830 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.535 2.698 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.325 2.305 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.088 3.000 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.391 3.500 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.648 4.720 3.939 1.00 0.00 H new ATOM 868 N PHE A 56 -4.249 8.545 1.386 1.00 0.00 N ATOM 869 CA PHE A 56 -3.535 9.468 0.514 1.00 0.00 C ATOM 870 C PHE A 56 -2.038 9.447 0.847 1.00 0.00 C ATOM 871 O PHE A 56 -1.664 9.597 1.983 1.00 0.00 O ATOM 872 CB PHE A 56 -4.190 10.801 0.769 1.00 0.00 C ATOM 873 CG PHE A 56 -3.368 11.967 0.208 1.00 0.00 C ATOM 874 CD1 PHE A 56 -2.135 12.357 0.792 1.00 0.00 C ATOM 875 CD2 PHE A 56 -3.812 12.640 -0.960 1.00 0.00 C ATOM 876 CE1 PHE A 56 -1.388 13.395 0.216 1.00 0.00 C ATOM 877 CE2 PHE A 56 -3.046 13.662 -1.526 1.00 0.00 C ATOM 878 CZ PHE A 56 -1.844 14.039 -0.937 1.00 0.00 C ATOM 0 H PHE A 56 -5.064 8.905 1.882 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.590 9.213 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.182 10.808 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.326 10.938 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.773 11.856 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.750 12.360 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.455 13.698 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.388 14.160 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.259 14.835 -1.374 1.00 0.00 H new ATOM 888 N GLY A 57 -1.222 9.353 -0.152 1.00 0.00 N ATOM 889 CA GLY A 57 0.287 9.381 -0.051 1.00 0.00 C ATOM 890 C GLY A 57 0.987 8.384 0.894 1.00 0.00 C ATOM 891 O GLY A 57 2.099 8.691 1.343 1.00 0.00 O ATOM 0 H GLY A 57 -1.550 9.250 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.688 9.223 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.579 10.386 0.255 1.00 0.00 H new ATOM 895 N THR A 58 0.473 7.232 1.254 1.00 0.00 N ATOM 896 CA THR A 58 1.346 6.459 2.203 1.00 0.00 C ATOM 897 C THR A 58 2.220 5.548 1.294 1.00 0.00 C ATOM 898 O THR A 58 3.135 4.929 1.712 1.00 0.00 O ATOM 899 CB THR A 58 0.359 5.634 3.058 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.711 6.480 3.445 1.00 0.00 O ATOM 901 CG2 THR A 58 1.042 5.094 4.327 1.00 0.00 C ATOM 0 H THR A 58 -0.417 6.822 0.971 1.00 0.00 H new ATOM 0 HA THR A 58 1.991 7.052 2.852 1.00 0.00 H new ATOM 0 HB THR A 58 0.003 4.789 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.350 5.972 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.324 4.517 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.878 4.454 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.409 5.928 4.926 1.00 0.00 H new ATOM 909 N GLY A 59 1.979 5.577 0.013 1.00 0.00 N ATOM 910 CA GLY A 59 2.741 4.790 -1.022 1.00 0.00 C ATOM 911 C GLY A 59 3.861 5.624 -1.514 1.00 0.00 C ATOM 912 O GLY A 59 4.579 5.300 -2.441 1.00 0.00 O ATOM 0 H GLY A 59 1.238 6.150 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.120 3.863 -0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.084 4.513 -1.847 1.00 0.00 H new ATOM 916 N LYS A 60 3.952 6.713 -0.885 1.00 0.00 N ATOM 917 CA LYS A 60 4.963 7.737 -1.188 1.00 0.00 C ATOM 918 C LYS A 60 6.420 7.206 -0.987 1.00 0.00 C ATOM 919 O LYS A 60 7.355 7.798 -1.488 1.00 0.00 O ATOM 920 CB LYS A 60 4.662 8.901 -0.199 1.00 0.00 C ATOM 921 CG LYS A 60 5.619 10.165 -0.418 1.00 0.00 C ATOM 922 CD LYS A 60 5.254 11.275 0.590 1.00 0.00 C ATOM 923 CE LYS A 60 5.734 10.911 2.010 1.00 0.00 C ATOM 924 NZ LYS A 60 4.614 10.274 2.760 1.00 0.00 N ATOM 0 H LYS A 60 3.330 6.967 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 60 4.908 8.047 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.624 9.212 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.773 8.540 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.661 9.871 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.517 10.538 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.707 12.217 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.175 11.427 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.584 10.231 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.074 11.805 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.239 10.945 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.859 10.008 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.962 9.424 3.247 1.00 0.00 H new ATOM 938 N ASP A 61 6.621 6.114 -0.296 1.00 0.00 N ATOM 939 CA ASP A 61 8.018 5.550 -0.088 1.00 0.00 C ATOM 940 C ASP A 61 8.457 4.783 -1.348 1.00 0.00 C ATOM 941 O ASP A 61 9.556 4.266 -1.425 1.00 0.00 O ATOM 942 CB ASP A 61 8.057 4.618 1.125 1.00 0.00 C ATOM 943 CG ASP A 61 6.954 3.562 0.987 1.00 0.00 C ATOM 944 OD1 ASP A 61 5.955 3.852 0.351 1.00 0.00 O ATOM 945 OD2 ASP A 61 7.129 2.477 1.522 1.00 0.00 O ATOM 0 H ASP A 61 5.877 5.572 0.144 1.00 0.00 H new ATOM 0 HA ASP A 61 8.702 6.379 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.032 4.135 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.917 5.190 2.042 1.00 0.00 H new ATOM 950 N GLN A 62 7.565 4.618 -2.280 1.00 0.00 N ATOM 951 CA GLN A 62 7.863 3.815 -3.513 1.00 0.00 C ATOM 952 C GLN A 62 8.124 4.682 -4.708 1.00 0.00 C ATOM 953 O GLN A 62 7.449 5.647 -4.984 1.00 0.00 O ATOM 954 CB GLN A 62 6.594 3.053 -3.849 1.00 0.00 C ATOM 955 CG GLN A 62 6.250 2.081 -2.659 1.00 0.00 C ATOM 956 CD GLN A 62 5.187 1.057 -3.086 1.00 0.00 C ATOM 957 OE1 GLN A 62 4.271 0.768 -2.343 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.275 0.494 -4.260 1.00 0.00 N ATOM 0 H GLN A 62 6.624 5.009 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 62 8.737 3.195 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.771 3.748 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.728 2.487 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.152 1.563 -2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.887 2.655 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.044 0.736 -4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.575 -0.188 -4.552 1.00 0.00 H new ATOM 967 N THR A 63 9.098 4.298 -5.452 1.00 0.00 N ATOM 968 CA THR A 63 9.397 5.043 -6.670 1.00 0.00 C ATOM 969 C THR A 63 8.327 4.769 -7.724 1.00 0.00 C ATOM 970 O THR A 63 7.538 3.864 -7.613 1.00 0.00 O ATOM 971 CB THR A 63 10.813 4.698 -7.180 1.00 0.00 C ATOM 972 OG1 THR A 63 10.770 3.436 -7.834 1.00 0.00 O ATOM 973 CG2 THR A 63 11.803 4.627 -6.009 1.00 0.00 C ATOM 0 H THR A 63 9.701 3.497 -5.266 1.00 0.00 H new ATOM 0 HA THR A 63 9.384 6.111 -6.453 1.00 0.00 H new ATOM 0 HB THR A 63 11.143 5.473 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.664 3.208 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.796 4.383 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.835 5.591 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.482 3.857 -5.307 1.00 0.00 H new ATOM 981 N GLU A 64 8.367 5.568 -8.750 1.00 0.00 N ATOM 982 CA GLU A 64 7.437 5.488 -9.918 1.00 0.00 C ATOM 983 C GLU A 64 7.387 4.091 -10.596 1.00 0.00 C ATOM 984 O GLU A 64 6.342 3.495 -10.656 1.00 0.00 O ATOM 985 CB GLU A 64 7.931 6.510 -10.959 1.00 0.00 C ATOM 986 CG GLU A 64 6.890 6.690 -12.071 1.00 0.00 C ATOM 987 CD GLU A 64 5.686 7.458 -11.520 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.753 7.888 -10.380 1.00 0.00 O ATOM 989 OE2 GLU A 64 4.720 7.602 -12.249 1.00 0.00 O ATOM 0 H GLU A 64 9.050 6.321 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 64 6.430 5.689 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.124 7.467 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.875 6.174 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.328 7.231 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.573 5.718 -12.449 1.00 0.00 H new ATOM 996 N SER A 65 8.454 3.583 -11.161 1.00 0.00 N ATOM 997 CA SER A 65 8.384 2.282 -11.834 1.00 0.00 C ATOM 998 C SER A 65 8.243 1.154 -10.824 1.00 0.00 C ATOM 999 O SER A 65 7.865 0.081 -11.167 1.00 0.00 O ATOM 1000 CB SER A 65 9.670 2.120 -12.647 1.00 0.00 C ATOM 1001 OG SER A 65 10.786 2.194 -11.774 1.00 0.00 O ATOM 0 H SER A 65 9.371 4.029 -11.177 1.00 0.00 H new ATOM 0 HA SER A 65 7.510 2.239 -12.484 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.665 1.164 -13.171 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.735 2.899 -13.407 1.00 0.00 H new ATOM 0 HG SER A 65 11.613 2.089 -12.290 1.00 0.00 H new ATOM 1007 N TRP A 66 8.479 1.362 -9.577 1.00 0.00 N ATOM 1008 CA TRP A 66 8.310 0.232 -8.619 1.00 0.00 C ATOM 1009 C TRP A 66 6.862 -0.182 -8.738 1.00 0.00 C ATOM 1010 O TRP A 66 6.508 -1.305 -8.794 1.00 0.00 O ATOM 1011 CB TRP A 66 8.661 0.632 -7.185 1.00 0.00 C ATOM 1012 CG TRP A 66 8.520 -0.544 -6.306 1.00 0.00 C ATOM 1013 CD1 TRP A 66 7.358 -1.073 -5.922 1.00 0.00 C ATOM 1014 CD2 TRP A 66 9.562 -1.308 -5.658 1.00 0.00 C ATOM 1015 NE1 TRP A 66 7.613 -2.186 -5.143 1.00 0.00 N ATOM 1016 CE2 TRP A 66 8.960 -2.340 -4.913 1.00 0.00 C ATOM 1017 CE3 TRP A 66 10.965 -1.208 -5.656 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 9.724 -3.243 -4.174 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 11.734 -2.109 -4.910 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.116 -3.124 -4.163 1.00 0.00 C ATOM 0 H TRP A 66 8.778 2.248 -9.171 1.00 0.00 H new ATOM 0 HA TRP A 66 8.987 -0.588 -8.857 1.00 0.00 H new ATOM 0 HB2 TRP A 66 9.681 1.014 -7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.005 1.434 -6.847 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.379 -0.694 -6.177 1.00 0.00 H new ATOM 0 HE1 TRP A 66 6.893 -2.814 -4.784 1.00 0.00 H new ATOM 0 HE3 TRP A 66 11.450 -0.434 -6.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.242 -4.030 -3.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.811 -2.023 -4.909 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.714 -3.810 -3.582 1.00 0.00 H new ATOM 1031 N TRP A 67 6.013 0.770 -8.759 1.00 0.00 N ATOM 1032 CA TRP A 67 4.594 0.445 -8.828 1.00 0.00 C ATOM 1033 C TRP A 67 4.438 -0.243 -10.212 1.00 0.00 C ATOM 1034 O TRP A 67 3.774 -1.267 -10.347 1.00 0.00 O ATOM 1035 CB TRP A 67 3.758 1.734 -8.697 1.00 0.00 C ATOM 1036 CG TRP A 67 3.608 2.213 -7.233 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.137 3.342 -6.637 1.00 0.00 C ATOM 1038 CD2 TRP A 67 2.859 1.552 -6.161 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.717 3.424 -5.336 1.00 0.00 N ATOM 1040 CE2 TRP A 67 2.940 2.342 -4.975 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.103 0.355 -6.109 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 2.301 1.958 -3.791 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.462 -0.039 -4.916 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.563 0.761 -3.759 1.00 0.00 C ATOM 0 H TRP A 67 6.239 1.764 -8.731 1.00 0.00 H new ATOM 0 HA TRP A 67 4.244 -0.206 -8.027 1.00 0.00 H new ATOM 0 HB2 TRP A 67 4.224 2.524 -9.286 1.00 0.00 H new ATOM 0 HB3 TRP A 67 2.768 1.563 -9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.786 4.054 -7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.951 4.193 -4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.017 -0.262 -6.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.374 2.576 -2.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.892 -0.956 -4.888 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.073 0.454 -2.847 1.00 0.00 H new ATOM 1055 N LYS A 68 5.150 0.243 -11.213 1.00 0.00 N ATOM 1056 CA LYS A 68 5.097 -0.413 -12.581 1.00 0.00 C ATOM 1057 C LYS A 68 5.591 -1.839 -12.421 1.00 0.00 C ATOM 1058 O LYS A 68 5.001 -2.792 -12.886 1.00 0.00 O ATOM 1059 CB LYS A 68 6.016 0.340 -13.623 1.00 0.00 C ATOM 1060 CG LYS A 68 5.903 -0.204 -15.111 1.00 0.00 C ATOM 1061 CD LYS A 68 4.471 0.018 -15.690 1.00 0.00 C ATOM 1062 CE LYS A 68 4.458 -0.227 -17.208 1.00 0.00 C ATOM 1063 NZ LYS A 68 5.058 0.942 -17.910 1.00 0.00 N ATOM 0 H LYS A 68 5.761 1.057 -11.148 1.00 0.00 H new ATOM 0 HA LYS A 68 4.075 -0.379 -12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.760 1.399 -13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.053 0.261 -13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.635 0.301 -15.741 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.145 -1.267 -15.131 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.767 -0.655 -15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.140 1.035 -15.477 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.017 -1.132 -17.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.436 -0.385 -17.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.911 0.844 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.605 1.817 -17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.078 0.982 -17.709 1.00 0.00 H new ATOM 1077 N ALA A 69 6.707 -1.950 -11.792 1.00 0.00 N ATOM 1078 CA ALA A 69 7.344 -3.241 -11.586 1.00 0.00 C ATOM 1079 C ALA A 69 6.409 -4.169 -10.803 1.00 0.00 C ATOM 1080 O ALA A 69 6.208 -5.293 -11.185 1.00 0.00 O ATOM 1081 CB ALA A 69 8.662 -3.029 -10.848 1.00 0.00 C ATOM 0 H ALA A 69 7.219 -1.161 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 69 7.551 -3.715 -12.546 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.148 -3.991 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.313 -2.388 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.468 -2.556 -9.885 1.00 0.00 H new ATOM 1087 N PHE A 70 5.829 -3.708 -9.726 1.00 0.00 N ATOM 1088 CA PHE A 70 4.895 -4.594 -8.932 1.00 0.00 C ATOM 1089 C PHE A 70 3.723 -5.036 -9.809 1.00 0.00 C ATOM 1090 O PHE A 70 3.266 -6.159 -9.735 1.00 0.00 O ATOM 1091 CB PHE A 70 4.322 -3.818 -7.764 1.00 0.00 C ATOM 1092 CG PHE A 70 3.178 -4.526 -7.074 1.00 0.00 C ATOM 1093 CD1 PHE A 70 3.313 -5.882 -6.723 1.00 0.00 C ATOM 1094 CD2 PHE A 70 1.957 -3.857 -6.853 1.00 0.00 C ATOM 1095 CE1 PHE A 70 2.231 -6.572 -6.149 1.00 0.00 C ATOM 1096 CE2 PHE A 70 0.877 -4.545 -6.270 1.00 0.00 C ATOM 1097 CZ PHE A 70 1.012 -5.903 -5.924 1.00 0.00 C ATOM 0 H PHE A 70 5.953 -2.766 -9.356 1.00 0.00 H new ATOM 0 HA PHE A 70 5.459 -5.459 -8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.114 -3.631 -7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.977 -2.846 -8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.249 -6.393 -6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.851 -2.819 -7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.334 -7.613 -5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.055 -4.031 -6.088 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.179 -6.433 -5.485 1.00 0.00 H new ATOM 1107 N SER A 71 3.229 -4.149 -10.643 1.00 0.00 N ATOM 1108 CA SER A 71 2.095 -4.535 -11.526 1.00 0.00 C ATOM 1109 C SER A 71 2.417 -5.863 -12.221 1.00 0.00 C ATOM 1110 O SER A 71 1.576 -6.732 -12.351 1.00 0.00 O ATOM 1111 CB SER A 71 1.880 -3.450 -12.581 1.00 0.00 C ATOM 1112 OG SER A 71 1.722 -2.192 -11.939 1.00 0.00 O ATOM 0 H SER A 71 3.560 -3.190 -10.746 1.00 0.00 H new ATOM 0 HA SER A 71 1.191 -4.647 -10.928 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.729 -3.418 -13.264 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.998 -3.679 -13.179 1.00 0.00 H new ATOM 0 HG SER A 71 2.575 -1.918 -11.541 1.00 0.00 H new ATOM 1118 N ARG A 72 3.634 -6.009 -12.666 1.00 0.00 N ATOM 1119 CA ARG A 72 4.050 -7.274 -13.345 1.00 0.00 C ATOM 1120 C ARG A 72 3.927 -8.463 -12.376 1.00 0.00 C ATOM 1121 O ARG A 72 3.461 -9.525 -12.737 1.00 0.00 O ATOM 1122 CB ARG A 72 5.507 -7.091 -13.820 1.00 0.00 C ATOM 1123 CG ARG A 72 6.001 -8.316 -14.601 1.00 0.00 C ATOM 1124 CD ARG A 72 7.419 -8.055 -15.117 1.00 0.00 C ATOM 1125 NE ARG A 72 7.381 -6.988 -16.158 1.00 0.00 N ATOM 1126 CZ ARG A 72 8.367 -6.865 -17.005 1.00 0.00 C ATOM 1127 NH1 ARG A 72 9.389 -7.677 -16.937 1.00 0.00 N ATOM 1128 NH2 ARG A 72 8.331 -5.936 -17.918 1.00 0.00 N ATOM 0 H ARG A 72 4.366 -5.302 -12.589 1.00 0.00 H new ATOM 0 HA ARG A 72 3.406 -7.485 -14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.577 -6.204 -14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.153 -6.922 -12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.992 -9.197 -13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.331 -8.523 -15.436 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.067 -7.752 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.840 -8.970 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 72 6.584 -6.354 -16.208 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.415 -8.405 -16.223 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.160 -7.583 -17.598 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.532 -5.304 -17.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.102 -5.841 -18.579 1.00 0.00 H new ATOM 1142 N GLN A 73 4.354 -8.298 -11.158 1.00 0.00 N ATOM 1143 CA GLN A 73 4.262 -9.409 -10.162 1.00 0.00 C ATOM 1144 C GLN A 73 2.815 -9.939 -10.046 1.00 0.00 C ATOM 1145 O GLN A 73 2.584 -11.136 -9.973 1.00 0.00 O ATOM 1146 CB GLN A 73 4.692 -8.888 -8.776 1.00 0.00 C ATOM 1147 CG GLN A 73 6.130 -8.362 -8.785 1.00 0.00 C ATOM 1148 CD GLN A 73 6.517 -7.920 -7.339 1.00 0.00 C ATOM 1149 OE1 GLN A 73 7.275 -6.850 -7.142 1.00 0.00 O flip ATOM 1150 NE2 GLN A 73 6.100 -8.535 -6.383 1.00 0.00 N flip ATOM 0 H GLN A 73 4.767 -7.436 -10.803 1.00 0.00 H new ATOM 0 HA GLN A 73 4.913 -10.216 -10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.016 -8.093 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.603 -9.690 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.812 -9.136 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.219 -7.521 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.516 -9.360 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.333 -8.228 -5.438 1.00 0.00 H new ATOM 1159 N LEU A 74 1.848 -9.052 -9.991 1.00 0.00 N ATOM 1160 CA LEU A 74 0.410 -9.476 -9.853 1.00 0.00 C ATOM 1161 C LEU A 74 -0.078 -10.327 -11.038 1.00 0.00 C ATOM 1162 O LEU A 74 -0.847 -11.252 -10.866 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.471 -8.221 -9.751 1.00 0.00 C ATOM 1164 CG LEU A 74 -0.383 -7.628 -8.316 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.733 -6.117 -8.332 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -1.331 -8.374 -7.336 1.00 0.00 C ATOM 0 H LEU A 74 1.992 -8.043 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 74 0.337 -10.091 -8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.148 -7.479 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.505 -8.472 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 74 0.642 -7.758 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.667 -5.717 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.032 -5.588 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.747 -5.982 -8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.245 -7.935 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.360 -8.284 -7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.054 -9.427 -7.293 1.00 0.00 H new ATOM 1178 N ILE A 75 0.311 -9.990 -12.233 1.00 0.00 N ATOM 1179 CA ILE A 75 -0.164 -10.770 -13.421 1.00 0.00 C ATOM 1180 C ILE A 75 0.241 -12.251 -13.339 1.00 0.00 C ATOM 1181 O ILE A 75 -0.541 -13.132 -13.643 1.00 0.00 O ATOM 1182 CB ILE A 75 0.434 -10.159 -14.686 1.00 0.00 C ATOM 1183 CG1 ILE A 75 -0.150 -8.757 -14.895 1.00 0.00 C ATOM 1184 CG2 ILE A 75 0.100 -11.038 -15.892 1.00 0.00 C ATOM 1185 CD1 ILE A 75 0.621 -8.033 -16.002 1.00 0.00 C ATOM 0 H ILE A 75 0.935 -9.212 -12.445 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.253 -10.722 -13.441 1.00 0.00 H new ATOM 0 HB ILE A 75 1.517 -10.093 -14.581 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.205 -8.828 -15.161 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.093 -8.187 -13.967 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.529 -10.598 -16.793 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.515 -12.035 -15.742 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.982 -11.108 -16.002 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.202 -7.037 -16.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.670 -7.947 -15.719 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.541 -8.598 -16.931 1.00 0.00 H new ATOM 1197 N THR A 76 1.462 -12.532 -12.982 1.00 0.00 N ATOM 1198 CA THR A 76 1.921 -13.957 -12.907 1.00 0.00 C ATOM 1199 C THR A 76 1.156 -14.740 -11.829 1.00 0.00 C ATOM 1200 O THR A 76 0.792 -15.879 -12.036 1.00 0.00 O ATOM 1201 CB THR A 76 3.420 -13.990 -12.591 1.00 0.00 C ATOM 1202 OG1 THR A 76 4.099 -13.093 -13.458 1.00 0.00 O ATOM 1203 CG2 THR A 76 3.965 -15.407 -12.794 1.00 0.00 C ATOM 0 H THR A 76 2.168 -11.838 -12.737 1.00 0.00 H new ATOM 0 HA THR A 76 1.725 -14.428 -13.870 1.00 0.00 H new ATOM 0 HB THR A 76 3.578 -13.693 -11.554 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.058 -13.109 -13.259 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.031 -15.423 -12.568 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.443 -16.096 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.809 -15.712 -13.829 1.00 0.00 H new ATOM 1211 N GLU A 77 0.933 -14.167 -10.678 1.00 0.00 N ATOM 1212 CA GLU A 77 0.205 -14.922 -9.610 1.00 0.00 C ATOM 1213 C GLU A 77 -1.254 -15.192 -10.015 1.00 0.00 C ATOM 1214 O GLU A 77 -1.858 -16.138 -9.554 1.00 0.00 O ATOM 1215 CB GLU A 77 0.228 -14.103 -8.314 1.00 0.00 C ATOM 1216 CG GLU A 77 1.679 -13.807 -7.919 1.00 0.00 C ATOM 1217 CD GLU A 77 1.690 -12.839 -6.738 1.00 0.00 C ATOM 1218 OE1 GLU A 77 0.620 -12.437 -6.313 1.00 0.00 O ATOM 1219 OE2 GLU A 77 2.770 -12.518 -6.268 1.00 0.00 O ATOM 0 H GLU A 77 1.218 -13.220 -10.429 1.00 0.00 H new ATOM 0 HA GLU A 77 0.702 -15.881 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.320 -13.171 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.272 -14.652 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.192 -14.731 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.218 -13.376 -8.763 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.841 -14.372 -10.849 1.00 0.00 N ATOM 1227 CA GLY A 78 -3.263 -14.623 -11.255 1.00 0.00 C ATOM 1228 C GLY A 78 -4.164 -13.722 -10.409 1.00 0.00 C ATOM 1229 O GLY A 78 -5.367 -13.667 -10.583 1.00 0.00 O ATOM 0 H GLY A 78 -1.406 -13.548 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.399 -14.410 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.523 -15.671 -11.104 1.00 0.00 H new ATOM 1233 N PHE A 79 -3.561 -12.989 -9.521 1.00 0.00 N ATOM 1234 CA PHE A 79 -4.293 -12.038 -8.638 1.00 0.00 C ATOM 1235 C PHE A 79 -4.889 -10.915 -9.498 1.00 0.00 C ATOM 1236 O PHE A 79 -5.887 -10.323 -9.149 1.00 0.00 O ATOM 1237 CB PHE A 79 -3.249 -11.459 -7.672 1.00 0.00 C ATOM 1238 CG PHE A 79 -3.138 -12.309 -6.418 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -2.678 -13.635 -6.523 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -3.497 -11.793 -5.152 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -2.572 -14.443 -5.373 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -3.390 -12.602 -4.005 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.925 -13.926 -4.117 1.00 0.00 C ATOM 0 H PHE A 79 -2.553 -13.010 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.103 -12.525 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.279 -11.407 -8.167 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.524 -10.440 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.405 -14.035 -7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.854 -10.777 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.219 -15.460 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.665 -12.207 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.840 -14.544 -3.236 1.00 0.00 H new ATOM 1253 N LEU A 80 -4.259 -10.589 -10.606 1.00 0.00 N ATOM 1254 CA LEU A 80 -4.775 -9.472 -11.464 1.00 0.00 C ATOM 1255 C LEU A 80 -4.829 -9.892 -12.946 1.00 0.00 C ATOM 1256 O LEU A 80 -3.988 -10.608 -13.448 1.00 0.00 O ATOM 1257 CB LEU A 80 -3.821 -8.263 -11.290 1.00 0.00 C ATOM 1258 CG LEU A 80 -4.340 -6.995 -11.999 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -5.399 -6.291 -11.135 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -3.170 -6.043 -12.331 1.00 0.00 C ATOM 0 H LEU A 80 -3.415 -11.046 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.789 -9.212 -11.160 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.693 -8.055 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.838 -8.520 -11.685 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.811 -7.288 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.754 -5.399 -11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.236 -6.968 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.959 -6.007 -10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.555 -5.154 -12.831 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.665 -5.752 -11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.463 -6.551 -12.987 1.00 0.00 H new ATOM 1272 N VAL A 81 -5.825 -9.398 -13.633 1.00 0.00 N ATOM 1273 CA VAL A 81 -6.006 -9.668 -15.091 1.00 0.00 C ATOM 1274 C VAL A 81 -6.011 -8.300 -15.782 1.00 0.00 C ATOM 1275 O VAL A 81 -6.649 -7.391 -15.304 1.00 0.00 O ATOM 1276 CB VAL A 81 -7.345 -10.378 -15.333 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -8.504 -9.446 -14.953 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -7.461 -10.761 -16.817 1.00 0.00 C ATOM 0 H VAL A 81 -6.545 -8.798 -13.230 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.214 -10.309 -15.477 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.391 -11.277 -14.719 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.452 -9.955 -15.127 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.424 -9.177 -13.900 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.460 -8.543 -15.562 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.412 -11.265 -16.989 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.411 -9.861 -17.430 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.642 -11.429 -17.086 1.00 0.00 H new ATOM 1288 N GLU A 82 -5.311 -8.114 -16.873 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.329 -6.756 -17.527 1.00 0.00 C ATOM 1290 C GLU A 82 -6.047 -6.795 -18.868 1.00 0.00 C ATOM 1291 O GLU A 82 -5.765 -7.630 -19.705 1.00 0.00 O ATOM 1292 CB GLU A 82 -3.889 -6.260 -17.716 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.224 -6.058 -16.350 1.00 0.00 C ATOM 1294 CD GLU A 82 -1.805 -5.515 -16.544 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.386 -5.395 -17.681 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.163 -5.228 -15.546 1.00 0.00 O ATOM 0 H GLU A 82 -4.739 -8.821 -17.335 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.873 -6.070 -16.878 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.321 -6.981 -18.304 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.888 -5.323 -18.273 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.811 -5.364 -15.748 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.192 -7.002 -15.807 1.00 0.00 H new ATOM 1303 N VAL A 83 -6.974 -5.885 -19.101 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.676 -5.903 -20.408 1.00 0.00 C ATOM 1305 C VAL A 83 -7.140 -4.755 -21.248 1.00 0.00 C ATOM 1306 O VAL A 83 -7.321 -3.567 -20.969 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.186 -5.773 -20.207 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -9.902 -5.873 -21.555 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.673 -6.907 -19.295 1.00 0.00 C ATOM 0 H VAL A 83 -7.261 -5.152 -18.452 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.496 -6.849 -20.918 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.406 -4.807 -19.753 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.977 -5.780 -21.404 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.557 -5.073 -22.210 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.683 -6.838 -22.013 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.749 -6.819 -19.148 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.447 -7.868 -19.757 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.169 -6.841 -18.331 1.00 0.00 H new ATOM 1319 N SER A 84 -6.519 -5.140 -22.303 1.00 0.00 N ATOM 1320 CA SER A 84 -5.949 -4.189 -23.263 1.00 0.00 C ATOM 1321 C SER A 84 -7.047 -3.656 -24.151 1.00 0.00 C ATOM 1322 O SER A 84 -6.819 -2.769 -24.931 1.00 0.00 O ATOM 1323 CB SER A 84 -4.823 -4.824 -24.083 1.00 0.00 C ATOM 1324 OG SER A 84 -4.212 -3.826 -24.888 1.00 0.00 O ATOM 0 H SER A 84 -6.377 -6.119 -22.550 1.00 0.00 H new ATOM 0 HA SER A 84 -5.504 -3.359 -22.714 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.085 -5.276 -23.421 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.219 -5.622 -24.711 1.00 0.00 H new ATOM 0 HG SER A 84 -4.887 -3.173 -25.169 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.217 -4.247 -24.135 1.00 0.00 N ATOM 1331 CA ARG A 85 -9.283 -3.767 -25.065 1.00 0.00 C ATOM 1332 C ARG A 85 -10.003 -2.580 -24.421 1.00 0.00 C ATOM 1333 O ARG A 85 -11.054 -2.113 -24.808 1.00 0.00 O ATOM 1334 CB ARG A 85 -10.284 -4.906 -25.313 1.00 0.00 C ATOM 1335 CG ARG A 85 -9.643 -6.030 -26.183 1.00 0.00 C ATOM 1336 CD ARG A 85 -10.625 -7.202 -26.341 1.00 0.00 C ATOM 1337 NE ARG A 85 -10.008 -8.262 -27.186 1.00 0.00 N ATOM 1338 CZ ARG A 85 -10.678 -9.349 -27.455 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -11.881 -9.507 -26.978 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -10.145 -10.279 -28.200 1.00 0.00 N ATOM 0 H ARG A 85 -8.476 -5.026 -23.530 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.844 -3.458 -26.014 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.612 -5.321 -24.360 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.170 -4.515 -25.813 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.376 -5.634 -27.163 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.721 -6.379 -25.718 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.883 -7.607 -25.363 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.552 -6.854 -26.796 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.064 -8.139 -27.553 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.298 -8.781 -26.395 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.405 -10.356 -27.188 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.203 -10.157 -28.573 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.670 -11.128 -28.409 1.00 0.00 H new ATOM 1354 N TYR A 86 -9.399 -2.223 -23.322 1.00 0.00 N ATOM 1355 CA TYR A 86 -9.847 -1.180 -22.366 1.00 0.00 C ATOM 1356 C TYR A 86 -8.697 -0.293 -21.853 1.00 0.00 C ATOM 1357 O TYR A 86 -7.796 -0.733 -21.167 1.00 0.00 O ATOM 1358 CB TYR A 86 -10.480 -1.944 -21.168 1.00 0.00 C ATOM 1359 CG TYR A 86 -11.942 -2.253 -21.447 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.293 -3.326 -22.294 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -12.949 -1.460 -20.859 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -13.647 -3.606 -22.549 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.304 -1.746 -21.115 1.00 0.00 C ATOM 1364 CZ TYR A 86 -14.654 -2.815 -21.961 1.00 0.00 C ATOM 1365 OH TYR A 86 -15.981 -3.092 -22.213 1.00 0.00 O ATOM 0 H TYR A 86 -8.527 -2.662 -23.028 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.545 -0.508 -22.865 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.934 -2.870 -20.990 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.395 -1.345 -20.261 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.522 -3.932 -22.746 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.682 -0.636 -20.214 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.915 -4.428 -23.196 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.077 -1.143 -20.661 1.00 0.00 H new ATOM 0 HH TYR A 86 -16.546 -2.453 -21.730 1.00 0.00 H new ATOM 1375 N ASN A 87 -8.741 0.946 -22.287 1.00 0.00 N ATOM 1376 CA ASN A 87 -7.711 2.011 -22.011 1.00 0.00 C ATOM 1377 C ASN A 87 -6.572 1.889 -23.032 1.00 0.00 C ATOM 1378 O ASN A 87 -5.510 1.395 -22.713 1.00 0.00 O ATOM 1379 CB ASN A 87 -7.138 1.873 -20.597 1.00 0.00 C ATOM 1380 CG ASN A 87 -8.283 1.679 -19.601 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -8.059 1.519 -18.419 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -9.516 1.690 -20.035 1.00 0.00 N ATOM 0 H ASN A 87 -9.509 1.287 -22.866 1.00 0.00 H new ATOM 0 HA ASN A 87 -8.192 2.985 -22.094 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.454 1.026 -20.551 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.562 2.762 -20.338 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.288 1.564 -19.381 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.706 1.824 -21.028 1.00 0.00 H new ATOM 1389 N LYS A 88 -6.725 2.443 -24.211 1.00 0.00 N ATOM 1390 CA LYS A 88 -5.583 2.424 -25.185 1.00 0.00 C ATOM 1391 C LYS A 88 -4.442 3.226 -24.541 1.00 0.00 C ATOM 1392 O LYS A 88 -3.325 3.271 -25.011 1.00 0.00 O ATOM 1393 CB LYS A 88 -6.003 3.097 -26.497 1.00 0.00 C ATOM 1394 CG LYS A 88 -6.303 4.581 -26.256 1.00 0.00 C ATOM 1395 CD LYS A 88 -6.821 5.202 -27.555 1.00 0.00 C ATOM 1396 CE LYS A 88 -6.962 6.713 -27.369 1.00 0.00 C ATOM 1397 NZ LYS A 88 -8.028 6.992 -26.363 1.00 0.00 N ATOM 0 H LYS A 88 -7.575 2.901 -24.539 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.277 1.402 -25.408 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.210 2.994 -27.238 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.885 2.601 -26.903 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.044 4.692 -25.464 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.403 5.098 -25.924 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.135 4.987 -28.374 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.783 4.765 -27.823 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.015 7.140 -27.039 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.211 7.186 -28.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.632 7.767 -26.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.606 6.139 -26.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.590 7.265 -25.460 1.00 0.00 H new ATOM 1411 N PHE A 89 -4.767 3.815 -23.415 1.00 0.00 N ATOM 1412 CA PHE A 89 -3.821 4.641 -22.602 1.00 0.00 C ATOM 1413 C PHE A 89 -2.942 3.636 -21.861 1.00 0.00 C ATOM 1414 O PHE A 89 -1.798 3.409 -22.186 1.00 0.00 O ATOM 1415 CB PHE A 89 -4.589 5.511 -21.608 1.00 0.00 C ATOM 1416 CG PHE A 89 -5.340 6.585 -22.359 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -4.703 7.799 -22.673 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -6.673 6.369 -22.754 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -5.401 8.802 -23.379 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -7.370 7.368 -23.458 1.00 0.00 C ATOM 1421 CZ PHE A 89 -6.733 8.585 -23.772 1.00 0.00 C ATOM 0 H PHE A 89 -5.700 3.751 -23.008 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.233 5.315 -23.225 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.285 4.899 -21.034 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.900 5.964 -20.896 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.679 7.964 -22.373 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.162 5.436 -22.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.912 9.735 -23.617 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.394 7.202 -23.758 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.268 9.351 -24.314 1.00 0.00 H new ATOM 1431 N MET A 90 -3.475 3.143 -20.786 1.00 0.00 N ATOM 1432 CA MET A 90 -2.742 2.229 -19.860 1.00 0.00 C ATOM 1433 C MET A 90 -3.476 0.959 -19.447 1.00 0.00 C ATOM 1434 O MET A 90 -3.591 0.606 -18.293 1.00 0.00 O ATOM 1435 CB MET A 90 -2.403 2.990 -18.572 1.00 0.00 C ATOM 1436 CG MET A 90 -2.569 4.516 -18.779 1.00 0.00 C ATOM 1437 SD MET A 90 -4.308 4.970 -18.565 1.00 0.00 S ATOM 1438 CE MET A 90 -4.198 5.503 -16.836 1.00 0.00 C ATOM 0 H MET A 90 -4.432 3.343 -20.494 1.00 0.00 H new ATOM 0 HA MET A 90 -1.869 1.910 -20.430 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.053 2.655 -17.764 1.00 0.00 H new ATOM 0 HB3 MET A 90 -1.379 2.768 -18.271 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.950 5.060 -18.065 1.00 0.00 H new ATOM 0 HG3 MET A 90 -2.229 4.797 -19.776 1.00 0.00 H new ATOM 0 HE1 MET A 90 -5.157 5.913 -16.520 1.00 0.00 H new ATOM 0 HE2 MET A 90 -3.944 4.649 -16.208 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.427 6.267 -16.739 1.00 0.00 H new ATOM 1448 N LYS A 91 -3.923 0.269 -20.479 1.00 0.00 N ATOM 1449 CA LYS A 91 -4.616 -1.042 -20.354 1.00 0.00 C ATOM 1450 C LYS A 91 -5.399 -1.174 -19.063 1.00 0.00 C ATOM 1451 O LYS A 91 -4.814 -1.540 -18.071 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.565 -2.192 -20.469 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.620 -2.051 -21.723 1.00 0.00 C ATOM 1454 CD LYS A 91 -1.262 -2.775 -21.477 1.00 0.00 C ATOM 1455 CE LYS A 91 -0.176 -2.323 -22.489 1.00 0.00 C ATOM 1456 NZ LYS A 91 -0.387 -3.020 -23.785 1.00 0.00 N ATOM 0 H LYS A 91 -3.825 0.587 -21.443 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.342 -1.109 -21.164 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.957 -2.210 -19.565 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.087 -3.148 -20.522 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.108 -2.473 -22.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.442 -0.996 -21.933 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.920 -2.571 -20.462 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.405 -3.853 -21.555 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.224 -1.244 -22.632 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.816 -2.549 -22.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.340 -2.718 -24.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.321 -4.048 -23.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.328 -2.783 -24.158 1.00 0.00 H new ATOM 1470 N ILE A 92 -6.718 -0.947 -18.985 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.246 -1.121 -17.592 1.00 0.00 C ATOM 1472 C ILE A 92 -6.750 -2.337 -16.809 1.00 0.00 C ATOM 1473 O ILE A 92 -6.859 -3.469 -17.238 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.817 -1.043 -17.626 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -9.379 -0.204 -16.443 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.415 -2.460 -17.604 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -10.872 0.108 -16.652 1.00 0.00 C ATOM 0 H ILE A 92 -7.366 -0.684 -19.728 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.824 -0.296 -17.018 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.105 -0.542 -18.550 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.245 -0.749 -15.509 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.818 0.726 -16.353 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -10.503 -2.396 -17.628 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.065 -3.016 -18.474 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.101 -2.973 -16.695 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.242 0.695 -15.812 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.000 0.674 -17.575 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.433 -0.824 -16.718 1.00 0.00 H new ATOM 1489 N CYS A 93 -6.356 -2.104 -15.563 1.00 0.00 N ATOM 1490 CA CYS A 93 -5.964 -3.242 -14.721 1.00 0.00 C ATOM 1491 C CYS A 93 -7.282 -3.565 -13.996 1.00 0.00 C ATOM 1492 O CYS A 93 -8.057 -2.672 -13.719 1.00 0.00 O ATOM 1493 CB CYS A 93 -4.872 -2.830 -13.721 1.00 0.00 C ATOM 1494 SG CYS A 93 -3.243 -3.056 -14.486 1.00 0.00 S ATOM 0 H CYS A 93 -6.298 -1.186 -15.123 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.547 -4.083 -15.275 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.007 -1.789 -13.426 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.947 -3.431 -12.815 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.316 -2.707 -13.644 1.00 0.00 H new ATOM 1500 N ALA A 94 -7.590 -4.802 -13.741 1.00 0.00 N ATOM 1501 CA ALA A 94 -8.892 -5.127 -13.071 1.00 0.00 C ATOM 1502 C ALA A 94 -8.746 -6.294 -12.103 1.00 0.00 C ATOM 1503 O ALA A 94 -8.120 -7.298 -12.390 1.00 0.00 O ATOM 1504 CB ALA A 94 -9.916 -5.496 -14.150 1.00 0.00 C ATOM 0 H ALA A 94 -7.003 -5.606 -13.964 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.218 -4.256 -12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.870 -5.736 -13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.048 -4.654 -14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.560 -6.361 -14.709 1.00 0.00 H new ATOM 1510 N LEU A 95 -9.351 -6.170 -10.950 1.00 0.00 N ATOM 1511 CA LEU A 95 -9.288 -7.261 -9.930 1.00 0.00 C ATOM 1512 C LEU A 95 -10.285 -8.355 -10.327 1.00 0.00 C ATOM 1513 O LEU A 95 -11.384 -8.073 -10.774 1.00 0.00 O ATOM 1514 CB LEU A 95 -9.632 -6.690 -8.539 1.00 0.00 C ATOM 1515 CG LEU A 95 -8.553 -5.702 -8.082 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -9.032 -4.927 -6.843 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -7.279 -6.481 -7.740 1.00 0.00 C ATOM 0 H LEU A 95 -9.891 -5.352 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.284 -7.684 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.600 -6.190 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.719 -7.502 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.352 -4.991 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.257 -4.229 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.940 -4.375 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.240 -5.627 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.505 -5.787 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.490 -7.191 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.934 -7.020 -8.622 1.00 0.00 H new ATOM 1529 N THR A 96 -9.917 -9.606 -10.184 1.00 0.00 N ATOM 1530 CA THR A 96 -10.836 -10.733 -10.560 1.00 0.00 C ATOM 1531 C THR A 96 -11.655 -11.176 -9.342 1.00 0.00 C ATOM 1532 O THR A 96 -11.317 -10.886 -8.209 1.00 0.00 O ATOM 1533 CB THR A 96 -9.995 -11.911 -11.056 1.00 0.00 C ATOM 1534 OG1 THR A 96 -9.113 -12.331 -10.020 1.00 0.00 O ATOM 1535 CG2 THR A 96 -9.187 -11.485 -12.280 1.00 0.00 C ATOM 0 H THR A 96 -9.011 -9.899 -9.819 1.00 0.00 H new ATOM 0 HA THR A 96 -11.517 -10.398 -11.342 1.00 0.00 H new ATOM 0 HB THR A 96 -10.651 -12.737 -11.330 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.575 -13.087 -10.335 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.589 -12.326 -12.632 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.866 -11.167 -13.071 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.529 -10.658 -12.012 1.00 0.00 H new ATOM 1543 N LYS A 97 -12.731 -11.880 -9.571 1.00 0.00 N ATOM 1544 CA LYS A 97 -13.587 -12.351 -8.439 1.00 0.00 C ATOM 1545 C LYS A 97 -12.695 -12.922 -7.336 1.00 0.00 C ATOM 1546 O LYS A 97 -13.090 -13.010 -6.190 1.00 0.00 O ATOM 1547 CB LYS A 97 -14.537 -13.442 -8.932 1.00 0.00 C ATOM 1548 CG LYS A 97 -15.320 -12.928 -10.152 1.00 0.00 C ATOM 1549 CD LYS A 97 -16.213 -11.735 -9.765 1.00 0.00 C ATOM 1550 CE LYS A 97 -17.260 -11.483 -10.854 1.00 0.00 C ATOM 1551 NZ LYS A 97 -18.114 -10.328 -10.466 1.00 0.00 N ATOM 0 H LYS A 97 -13.057 -12.152 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.166 -11.513 -8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.974 -14.336 -9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.227 -13.725 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.625 -12.628 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.934 -13.731 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.707 -11.935 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.601 -10.844 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.768 -11.282 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.875 -12.372 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.825 -10.158 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.593 -10.537 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.522 -9.481 -10.353 1.00 0.00 H new ATOM 1565 N LYS A 98 -11.497 -13.312 -7.676 1.00 0.00 N ATOM 1566 CA LYS A 98 -10.566 -13.881 -6.659 1.00 0.00 C ATOM 1567 C LYS A 98 -10.149 -12.786 -5.672 1.00 0.00 C ATOM 1568 O LYS A 98 -9.922 -13.044 -4.506 1.00 0.00 O ATOM 1569 CB LYS A 98 -9.335 -14.497 -7.388 1.00 0.00 C ATOM 1570 CG LYS A 98 -8.015 -13.722 -7.139 1.00 0.00 C ATOM 1571 CD LYS A 98 -7.341 -14.205 -5.848 1.00 0.00 C ATOM 1572 CE LYS A 98 -6.059 -13.399 -5.612 1.00 0.00 C ATOM 1573 NZ LYS A 98 -6.280 -11.981 -6.008 1.00 0.00 N ATOM 0 H LYS A 98 -11.120 -13.261 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.059 -14.669 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.208 -15.529 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.534 -14.525 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.340 -13.863 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.221 -12.654 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.020 -14.085 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.108 -15.267 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.772 -13.453 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.238 -13.825 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.445 -11.415 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.434 -11.927 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.115 -11.608 -5.513 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.983 -11.588 -6.138 1.00 0.00 N ATOM 1588 CA GLY A 99 -9.507 -10.500 -5.227 1.00 0.00 C ATOM 1589 C GLY A 99 -10.696 -9.732 -4.626 1.00 0.00 C ATOM 1590 O GLY A 99 -10.573 -9.167 -3.580 1.00 0.00 O ATOM 0 H GLY A 99 -10.153 -11.307 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.903 -10.928 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.865 -9.813 -5.778 1.00 0.00 H new ATOM 1594 N ARG A 100 -11.848 -9.734 -5.247 1.00 0.00 N ATOM 1595 CA ARG A 100 -13.021 -8.977 -4.671 1.00 0.00 C ATOM 1596 C ARG A 100 -13.400 -9.588 -3.316 1.00 0.00 C ATOM 1597 O ARG A 100 -13.600 -8.883 -2.295 1.00 0.00 O ATOM 1598 CB ARG A 100 -14.213 -9.087 -5.627 1.00 0.00 C ATOM 1599 CG ARG A 100 -15.371 -8.241 -5.098 1.00 0.00 C ATOM 1600 CD ARG A 100 -16.569 -8.362 -6.043 1.00 0.00 C ATOM 1601 NE ARG A 100 -16.244 -7.718 -7.344 1.00 0.00 N ATOM 1602 CZ ARG A 100 -17.135 -7.682 -8.298 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -18.309 -8.224 -8.114 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -16.851 -7.107 -9.431 1.00 0.00 N ATOM 0 H ARG A 100 -12.035 -10.221 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 100 -12.753 -7.929 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.927 -8.748 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.522 -10.128 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -15.649 -8.572 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.065 -7.198 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.819 -9.412 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.445 -7.888 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.324 -7.304 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.529 -8.675 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -19.006 -8.196 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.933 -6.685 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.546 -7.078 -10.177 1.00 0.00 H new ATOM 1618 N ASN A 101 -13.448 -10.907 -3.266 1.00 0.00 N ATOM 1619 CA ASN A 101 -13.801 -11.574 -1.991 1.00 0.00 C ATOM 1620 C ASN A 101 -12.652 -11.265 -1.056 1.00 0.00 C ATOM 1621 O ASN A 101 -12.837 -10.891 0.078 1.00 0.00 O ATOM 1622 CB ASN A 101 -13.937 -13.090 -2.189 1.00 0.00 C ATOM 1623 CG ASN A 101 -12.761 -13.607 -3.023 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -12.123 -12.852 -3.725 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -12.448 -14.872 -2.973 1.00 0.00 N ATOM 0 H ASN A 101 -13.258 -11.531 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.756 -11.224 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.959 -13.593 -1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -14.878 -13.319 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.666 -15.226 -3.524 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.985 -15.507 -2.382 1.00 0.00 H new ATOM 1632 N TRP A 102 -11.446 -11.300 -1.566 1.00 0.00 N ATOM 1633 CA TRP A 102 -10.306 -10.956 -0.695 1.00 0.00 C ATOM 1634 C TRP A 102 -10.514 -9.575 -0.030 1.00 0.00 C ATOM 1635 O TRP A 102 -10.481 -9.438 1.174 1.00 0.00 O ATOM 1636 CB TRP A 102 -8.993 -10.914 -1.491 1.00 0.00 C ATOM 1637 CG TRP A 102 -7.882 -11.289 -0.554 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -7.616 -12.536 -0.148 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -6.964 -10.426 0.161 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -6.581 -12.510 0.770 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -6.139 -11.229 0.993 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -6.757 -9.038 0.166 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -5.147 -10.667 1.808 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -5.765 -8.467 0.980 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -4.962 -9.275 1.797 1.00 0.00 C ATOM 0 H TRP A 102 -11.214 -11.548 -2.528 1.00 0.00 H new ATOM 0 HA TRP A 102 -10.247 -11.730 0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.033 -11.605 -2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -8.827 -9.919 -1.903 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.129 -13.425 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.195 -13.338 1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -7.366 -8.404 -0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.533 -11.296 2.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -5.620 -7.397 0.976 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.201 -8.827 2.418 1.00 0.00 H new ATOM 1656 N LEU A 103 -10.702 -8.560 -0.848 1.00 0.00 N ATOM 1657 CA LEU A 103 -10.875 -7.156 -0.361 1.00 0.00 C ATOM 1658 C LEU A 103 -12.191 -7.021 0.419 1.00 0.00 C ATOM 1659 O LEU A 103 -12.255 -6.341 1.426 1.00 0.00 O ATOM 1660 CB LEU A 103 -10.933 -6.212 -1.580 1.00 0.00 C ATOM 1661 CG LEU A 103 -11.206 -4.745 -1.143 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -10.154 -4.281 -0.130 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -11.151 -3.824 -2.369 1.00 0.00 C ATOM 0 H LEU A 103 -10.743 -8.655 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.040 -6.900 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.992 -6.262 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.716 -6.543 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.193 -4.701 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.361 -3.252 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.187 -4.924 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.164 -4.337 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.343 -2.796 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.164 -3.887 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.907 -4.133 -3.091 1.00 0.00 H new ATOM 1675 N HIS A 104 -13.244 -7.638 -0.040 1.00 0.00 N ATOM 1676 CA HIS A 104 -14.561 -7.494 0.655 1.00 0.00 C ATOM 1677 C HIS A 104 -14.559 -8.017 2.105 1.00 0.00 C ATOM 1678 O HIS A 104 -15.333 -7.542 2.914 1.00 0.00 O ATOM 1679 CB HIS A 104 -15.623 -8.265 -0.137 1.00 0.00 C ATOM 1680 CG HIS A 104 -16.040 -7.466 -1.346 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -17.367 -7.345 -1.733 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -15.312 -6.746 -2.265 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -17.398 -6.579 -2.844 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -16.173 -6.191 -3.206 1.00 0.00 N ATOM 0 H HIS A 104 -13.253 -8.236 -0.866 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.776 -6.426 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -15.227 -9.232 -0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -16.488 -8.463 0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -18.172 -7.759 -1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.238 -6.630 -2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -18.301 -6.313 -3.374 1.00 0.00 H new ATOM 1693 N LYS A 105 -13.767 -9.020 2.457 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.816 -9.546 3.871 1.00 0.00 C ATOM 1695 C LYS A 105 -12.436 -9.584 4.532 1.00 0.00 C ATOM 1696 O LYS A 105 -12.310 -9.237 5.687 1.00 0.00 O ATOM 1697 CB LYS A 105 -14.476 -10.950 3.876 1.00 0.00 C ATOM 1698 CG LYS A 105 -13.562 -12.003 3.223 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.291 -13.348 3.143 1.00 0.00 C ATOM 1700 CE LYS A 105 -13.386 -14.372 2.462 1.00 0.00 C ATOM 1701 NZ LYS A 105 -12.044 -14.346 3.106 1.00 0.00 N ATOM 0 H LYS A 105 -13.103 -9.487 1.839 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.418 -8.858 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.699 -11.245 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.426 -10.909 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.272 -11.677 2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.645 -12.110 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.558 -13.690 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.220 -13.238 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.821 -15.368 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.297 -14.146 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.612 -15.290 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.438 -13.656 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.143 -14.074 4.105 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.410 -10.036 3.853 1.00 0.00 N ATOM 1716 CA ALA A 106 -10.052 -10.100 4.568 1.00 0.00 C ATOM 1717 C ALA A 106 -9.643 -8.721 5.086 1.00 0.00 C ATOM 1718 O ALA A 106 -8.596 -8.543 5.674 1.00 0.00 O ATOM 1719 CB ALA A 106 -8.930 -10.589 3.634 1.00 0.00 C ATOM 0 H ALA A 106 -11.426 -10.353 2.884 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.178 -10.803 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.988 -10.619 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.170 -11.588 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.837 -9.907 2.789 1.00 0.00 H new ATOM 1725 N ASN A 107 -10.442 -7.760 4.827 1.00 0.00 N ATOM 1726 CA ASN A 107 -10.136 -6.364 5.249 1.00 0.00 C ATOM 1727 C ASN A 107 -9.795 -6.288 6.749 1.00 0.00 C ATOM 1728 O ASN A 107 -9.015 -5.451 7.156 1.00 0.00 O ATOM 1729 CB ASN A 107 -11.355 -5.478 4.959 1.00 0.00 C ATOM 1730 CG ASN A 107 -11.076 -4.043 5.433 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -11.857 -3.477 6.173 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -9.998 -3.428 5.033 1.00 0.00 N ATOM 0 H ASN A 107 -11.324 -7.868 4.327 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.267 -6.018 4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.574 -5.483 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.234 -5.875 5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.811 -2.474 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.342 -3.901 4.412 1.00 0.00 H new ATOM 1739 N THR A 108 -10.342 -7.145 7.583 1.00 0.00 N ATOM 1740 CA THR A 108 -9.990 -7.065 9.041 1.00 0.00 C ATOM 1741 C THR A 108 -8.459 -7.031 9.205 1.00 0.00 C ATOM 1742 O THR A 108 -7.846 -5.986 9.102 1.00 0.00 O ATOM 1743 CB THR A 108 -10.550 -8.295 9.754 1.00 0.00 C ATOM 1744 OG1 THR A 108 -10.216 -9.462 9.017 1.00 0.00 O ATOM 1745 CG2 THR A 108 -12.072 -8.172 9.865 1.00 0.00 C ATOM 0 H THR A 108 -11.001 -7.880 7.326 1.00 0.00 H new ATOM 0 HA THR A 108 -10.416 -6.159 9.472 1.00 0.00 H new ATOM 0 HB THR A 108 -10.120 -8.365 10.753 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.573 -10.251 9.475 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.472 -9.049 10.374 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.324 -7.277 10.433 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.505 -8.102 8.867 1.00 0.00 H new ATOM 1753 N GLU A 109 -7.827 -8.157 9.437 1.00 0.00 N ATOM 1754 CA GLU A 109 -6.376 -8.182 9.599 1.00 0.00 C ATOM 1755 C GLU A 109 -5.827 -9.462 8.953 1.00 0.00 C ATOM 1756 O GLU A 109 -5.397 -10.374 9.630 1.00 0.00 O ATOM 1757 CB GLU A 109 -6.111 -8.196 11.107 1.00 0.00 C ATOM 1758 CG GLU A 109 -6.508 -6.844 11.731 1.00 0.00 C ATOM 1759 CD GLU A 109 -6.206 -6.833 13.235 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -5.690 -7.821 13.725 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -6.484 -5.826 13.866 1.00 0.00 O ATOM 0 H GLU A 109 -8.282 -9.066 9.519 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.895 -7.324 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.677 -9.001 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.056 -8.396 11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.964 -6.037 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.570 -6.659 11.567 1.00 0.00 H new ATOM 1768 N SER A 110 -5.830 -9.543 7.649 1.00 0.00 N ATOM 1769 CA SER A 110 -5.296 -10.775 6.999 1.00 0.00 C ATOM 1770 C SER A 110 -4.372 -10.339 5.866 1.00 0.00 C ATOM 1771 O SER A 110 -4.794 -10.191 4.746 1.00 0.00 O ATOM 1772 CB SER A 110 -6.455 -11.596 6.427 1.00 0.00 C ATOM 1773 OG SER A 110 -7.042 -12.366 7.465 1.00 0.00 O ATOM 0 H SER A 110 -6.173 -8.822 7.014 1.00 0.00 H new ATOM 0 HA SER A 110 -4.755 -11.386 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.200 -10.935 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.095 -12.250 5.633 1.00 0.00 H new ATOM 0 HG SER A 110 -7.785 -12.891 7.102 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.121 -10.096 6.169 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.146 -9.633 5.127 1.00 0.00 C ATOM 1781 C GLN A 111 -1.016 -10.652 5.025 1.00 0.00 C ATOM 1782 O GLN A 111 -0.076 -10.540 5.767 1.00 0.00 O ATOM 1783 CB GLN A 111 -1.544 -8.309 5.595 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.422 -8.276 7.129 1.00 0.00 C ATOM 1785 CD GLN A 111 -0.687 -7.013 7.586 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -0.572 -6.061 6.841 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -0.187 -6.961 8.787 1.00 0.00 N ATOM 0 H GLN A 111 -2.727 -10.199 7.104 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.646 -9.519 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.561 -8.172 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.168 -7.481 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.414 -8.308 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.886 -9.160 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.283 -7.760 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 111 0.300 -6.122 9.101 1.00 0.00 H new ATOM 1796 N SER A 112 -1.046 -11.621 4.106 1.00 0.00 N ATOM 1797 CA SER A 112 0.124 -12.576 4.057 1.00 0.00 C ATOM 1798 C SER A 112 0.332 -13.045 2.604 1.00 0.00 C ATOM 1799 O SER A 112 -0.410 -13.824 2.045 1.00 0.00 O ATOM 1800 CB SER A 112 -0.210 -13.778 4.951 1.00 0.00 C ATOM 1801 OG SER A 112 -0.867 -13.342 6.128 1.00 0.00 O ATOM 0 H SER A 112 -1.790 -11.781 3.427 1.00 0.00 H new ATOM 0 HA SER A 112 1.036 -12.091 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 112 -0.845 -14.479 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.704 -14.312 5.212 1.00 0.00 H new ATOM 0 HG SER A 112 -1.077 -14.116 6.691 1.00 0.00 H new ATOM 1807 N LEU A 113 1.407 -12.582 2.045 1.00 0.00 N ATOM 1808 CA LEU A 113 1.870 -12.925 0.670 1.00 0.00 C ATOM 1809 C LEU A 113 3.334 -12.479 0.695 1.00 0.00 C ATOM 1810 O LEU A 113 3.572 -11.288 0.745 1.00 0.00 O ATOM 1811 CB LEU A 113 1.096 -12.083 -0.391 1.00 0.00 C ATOM 1812 CG LEU A 113 1.543 -12.352 -1.840 1.00 0.00 C ATOM 1813 CD1 LEU A 113 1.797 -13.846 -2.060 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.469 -11.861 -2.821 1.00 0.00 C ATOM 0 H LEU A 113 2.031 -11.930 2.521 1.00 0.00 H new ATOM 0 HA LEU A 113 1.722 -13.974 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.030 -12.295 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.229 -11.024 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 113 2.472 -11.810 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.112 -14.014 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.580 -14.186 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.881 -14.403 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.794 -12.055 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.466 -12.388 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.316 -10.790 -2.686 1.00 0.00 H new ATOM 1826 N ILE A 114 4.315 -13.310 0.453 1.00 0.00 N ATOM 1827 CA ILE A 114 5.672 -12.692 0.408 1.00 0.00 C ATOM 1828 C ILE A 114 5.704 -12.719 -1.125 1.00 0.00 C ATOM 1829 O ILE A 114 5.233 -13.678 -1.695 1.00 0.00 O ATOM 1830 CB ILE A 114 6.723 -13.583 1.147 1.00 0.00 C ATOM 1831 CG1 ILE A 114 6.312 -13.780 2.615 1.00 0.00 C ATOM 1832 CG2 ILE A 114 8.107 -12.960 1.108 1.00 0.00 C ATOM 1833 CD1 ILE A 114 7.201 -14.837 3.287 1.00 0.00 C ATOM 0 H ILE A 114 4.249 -14.316 0.295 1.00 0.00 H new ATOM 0 HA ILE A 114 5.879 -11.733 0.883 1.00 0.00 H new ATOM 0 HB ILE A 114 6.755 -14.543 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.393 -12.834 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.268 -14.088 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.812 -13.606 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.424 -12.841 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.081 -11.984 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.895 -14.963 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.099 -15.786 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.241 -14.513 3.252 1.00 0.00 H new ATOM 1845 N LEU A 115 6.007 -11.626 -1.817 1.00 0.00 N ATOM 1846 CA LEU A 115 5.867 -11.700 -3.336 1.00 0.00 C ATOM 1847 C LEU A 115 7.123 -11.879 -4.173 1.00 0.00 C ATOM 1848 O LEU A 115 8.266 -11.816 -3.719 1.00 0.00 O ATOM 1849 CB LEU A 115 5.307 -10.342 -3.771 1.00 0.00 C ATOM 1850 CG LEU A 115 3.756 -10.228 -3.521 1.00 0.00 C ATOM 1851 CD1 LEU A 115 2.441 -9.401 -3.457 1.00 0.00 C ATOM 1852 CD2 LEU A 115 4.752 -9.459 -4.406 1.00 0.00 C ATOM 0 H LEU A 115 6.326 -10.737 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 115 5.264 -12.591 -3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.820 -9.549 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.515 -10.188 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 115 3.153 -10.964 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.614 -10.054 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.544 -8.610 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.242 -8.958 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.224 -8.681 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.519 -9.003 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.220 -10.147 -5.110 1.00 0.00 H new ATOM 1864 N GLN A 116 6.857 -11.908 -5.428 1.00 0.00 N ATOM 1865 CA GLN A 116 7.906 -11.984 -6.427 1.00 0.00 C ATOM 1866 C GLN A 116 8.669 -10.704 -6.201 1.00 0.00 C ATOM 1867 O GLN A 116 8.006 -9.715 -6.238 1.00 0.00 O ATOM 1868 CB GLN A 116 7.249 -11.826 -7.798 1.00 0.00 C ATOM 1869 CG GLN A 116 8.306 -11.552 -8.873 1.00 0.00 C ATOM 1870 CD GLN A 116 7.714 -11.806 -10.262 1.00 0.00 C ATOM 1871 OE1 GLN A 116 7.334 -10.795 -10.990 1.00 0.00 O flip ATOM 1872 NE2 GLN A 116 7.590 -12.938 -10.684 1.00 0.00 N flip ATOM 0 H GLN A 116 5.912 -11.881 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 116 8.495 -12.900 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.694 -12.730 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.529 -11.008 -7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.654 -10.522 -8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 116 9.173 -12.193 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.887 -13.730 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.188 -13.097 -11.608 1.00 0.00 H new ATOM 1881 N ALA A 117 9.958 -10.660 -5.987 1.00 0.00 N ATOM 1882 CA ALA A 117 10.618 -9.312 -5.815 1.00 0.00 C ATOM 1883 C ALA A 117 10.513 -8.469 -7.114 1.00 0.00 C ATOM 1884 O ALA A 117 10.552 -9.017 -8.198 1.00 0.00 O ATOM 1885 CB ALA A 117 12.100 -9.486 -5.482 1.00 0.00 C ATOM 0 H ALA A 117 10.576 -11.469 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 117 10.103 -8.799 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.563 -8.507 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.201 -10.052 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.594 -10.023 -6.291 1.00 0.00 H new ATOM 1891 N ASN A 118 10.350 -7.162 -7.028 1.00 0.00 N ATOM 1892 CA ASN A 118 10.238 -6.325 -8.260 1.00 0.00 C ATOM 1893 C ASN A 118 11.541 -6.425 -9.044 1.00 0.00 C ATOM 1894 O ASN A 118 12.624 -6.402 -8.495 1.00 0.00 O ATOM 1895 CB ASN A 118 10.008 -4.842 -7.908 1.00 0.00 C ATOM 1896 CG ASN A 118 8.568 -4.576 -7.448 1.00 0.00 C ATOM 1897 OD1 ASN A 118 7.695 -4.330 -8.253 1.00 0.00 O ATOM 1898 ND2 ASN A 118 8.285 -4.614 -6.163 1.00 0.00 N ATOM 0 H ASN A 118 10.290 -6.645 -6.151 1.00 0.00 H new ATOM 0 HA ASN A 118 9.392 -6.689 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 118 10.701 -4.545 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 118 10.230 -4.224 -8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 118 7.332 -4.437 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.019 -4.821 -5.485 1.00 0.00 H new ATOM 1905 N GLU A 119 11.437 -6.547 -10.325 1.00 0.00 N ATOM 1906 CA GLU A 119 12.656 -6.655 -11.164 1.00 0.00 C ATOM 1907 C GLU A 119 13.535 -5.391 -11.066 1.00 0.00 C ATOM 1908 O GLU A 119 14.735 -5.501 -10.910 1.00 0.00 O ATOM 1909 CB GLU A 119 12.236 -6.892 -12.615 1.00 0.00 C ATOM 1910 CG GLU A 119 11.191 -5.847 -13.048 1.00 0.00 C ATOM 1911 CD GLU A 119 10.714 -6.145 -14.474 1.00 0.00 C ATOM 1912 OE1 GLU A 119 10.482 -7.305 -14.772 1.00 0.00 O ATOM 1913 OE2 GLU A 119 10.594 -5.205 -15.243 1.00 0.00 O ATOM 0 H GLU A 119 10.555 -6.577 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 119 13.253 -7.491 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.108 -6.836 -13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.823 -7.895 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.344 -5.861 -12.362 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.623 -4.847 -13.001 1.00 0.00 H new ATOM 1920 N GLU A 120 12.994 -4.195 -11.182 1.00 0.00 N ATOM 1921 CA GLU A 120 13.904 -2.998 -11.087 1.00 0.00 C ATOM 1922 C GLU A 120 14.074 -2.617 -9.622 1.00 0.00 C ATOM 1923 O GLU A 120 13.296 -1.856 -9.084 1.00 0.00 O ATOM 1924 CB GLU A 120 13.317 -1.778 -11.873 1.00 0.00 C ATOM 1925 CG GLU A 120 13.285 -2.004 -13.424 1.00 0.00 C ATOM 1926 CD GLU A 120 12.660 -0.818 -14.113 1.00 0.00 C ATOM 1927 OE1 GLU A 120 11.705 -0.326 -13.575 1.00 0.00 O ATOM 1928 OE2 GLU A 120 13.140 -0.427 -15.164 1.00 0.00 O ATOM 0 H GLU A 120 12.005 -3.998 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 120 14.867 -3.259 -11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.305 -1.579 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.912 -0.891 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.298 -2.158 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.720 -2.907 -13.655 1.00 0.00 H new ATOM 1935 N LEU A 121 15.088 -3.117 -8.956 1.00 0.00 N ATOM 1936 CA LEU A 121 15.243 -2.743 -7.497 1.00 0.00 C ATOM 1937 C LEU A 121 16.195 -1.549 -7.300 1.00 0.00 C ATOM 1938 O LEU A 121 16.567 -1.229 -6.187 1.00 0.00 O ATOM 1939 CB LEU A 121 15.727 -3.985 -6.705 1.00 0.00 C ATOM 1940 CG LEU A 121 14.777 -5.184 -6.922 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.232 -6.370 -6.073 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.356 -4.788 -6.514 1.00 0.00 C ATOM 0 H LEU A 121 15.796 -3.746 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 121 14.273 -2.424 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.735 -4.253 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.780 -3.746 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 121 14.794 -5.467 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.557 -7.211 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.243 -6.657 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.221 -6.089 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.685 -5.633 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.346 -4.502 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.024 -3.947 -7.122 1.00 0.00 H new