USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 810 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 53 THR OG1 : rot 78:sc= 0.0645 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.516) USER MOD Set 2.1: A 37 CYS SG : rot 130:sc= 1.01 USER MOD Set 2.2: A 40 CYS SG : rot 79:sc= -1.93 USER MOD Set 3.1: A 27 ASN : amide:sc= -1.24 K(o=-3.1,f=-2.2) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.88! C(o=-3.1!,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ -130:sc= -1.58 (180deg=-6.42!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.04! C(o=-2!,f=-4.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -107:sc= -1.09! (180deg=-2.64!) USER MOD Single : A 33 TYR OH : rot -111:sc= 0.987 USER MOD Single : A 39 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 42 GLN : amide:sc= -0.0667 K(o=-0.067,f=-0.63) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.000349 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.815 (180deg=0.706) USER MOD Single : A 57 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-7.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -144:sc= -0.231 (180deg=-2.58!) USER MOD Single : A 67 SER OG : rot -42:sc= 0 USER MOD Single : A 68 THR OG1 : rot 110:sc= -1.41 USER MOD Single : A 70 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.33) USER MOD Single : A 79 SER OG : rot 40:sc= 1.16 USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.86 USER MOD Single : A 84 LYS NZ :NH3+ -124:sc= 0.0618 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 23:sc= 0.108 USER MOD Single : A 97 TYR OH : rot -92:sc= 0.514 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 102 THR OG1 : rot -130:sc= 1.62 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 80:sc= 0.525 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -5.026 -13.175 -2.425 1.00 0.00 N ATOM 67 CA PRO A 8 -3.825 -12.873 -1.640 1.00 0.00 C ATOM 68 C PRO A 8 -3.992 -11.623 -0.783 1.00 0.00 C ATOM 69 O PRO A 8 -3.685 -11.629 0.409 1.00 0.00 O ATOM 70 CB PRO A 8 -2.751 -12.651 -2.707 1.00 0.00 C ATOM 71 CG PRO A 8 -3.504 -12.226 -3.920 1.00 0.00 C ATOM 72 CD PRO A 8 -4.821 -12.950 -3.865 1.00 0.00 C ATOM 0 HA PRO A 8 -3.587 -13.670 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.037 -11.888 -2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.183 -13.563 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.652 -11.146 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.957 -12.480 -4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.625 -12.355 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.787 -13.889 -4.418 1.00 0.00 H new ATOM 80 N VAL A 9 -4.480 -10.550 -1.399 1.00 0.00 N ATOM 81 CA VAL A 9 -4.689 -9.292 -0.692 1.00 0.00 C ATOM 82 C VAL A 9 -6.151 -8.865 -0.751 1.00 0.00 C ATOM 83 O VAL A 9 -6.777 -8.900 -1.810 1.00 0.00 O ATOM 84 CB VAL A 9 -3.812 -8.168 -1.276 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.742 -8.279 -2.791 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.344 -6.806 -0.856 1.00 0.00 C ATOM 0 H VAL A 9 -4.738 -10.527 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.405 -9.461 0.347 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.802 -8.275 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.118 -7.477 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.312 -9.242 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.746 -8.198 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.713 -6.023 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.364 -6.685 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.337 -6.732 0.231 1.00 0.00 H new ATOM 96 N LYS A 10 -6.690 -8.460 0.394 1.00 0.00 N ATOM 97 CA LYS A 10 -8.079 -8.023 0.474 1.00 0.00 C ATOM 98 C LYS A 10 -8.292 -6.741 -0.324 1.00 0.00 C ATOM 99 O LYS A 10 -7.386 -5.917 -0.449 1.00 0.00 O ATOM 100 CB LYS A 10 -8.481 -7.800 1.934 1.00 0.00 C ATOM 101 CG LYS A 10 -9.058 -9.037 2.600 1.00 0.00 C ATOM 102 CD LYS A 10 -8.785 -9.044 4.095 1.00 0.00 C ATOM 103 CE LYS A 10 -9.709 -8.090 4.836 1.00 0.00 C ATOM 104 NZ LYS A 10 -9.618 -8.264 6.312 1.00 0.00 N ATOM 0 H LYS A 10 -6.186 -8.425 1.280 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.706 -8.805 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.608 -7.468 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.215 -6.996 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.133 -9.077 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.628 -9.930 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.915 -10.054 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.748 -8.763 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.455 -7.063 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.737 -8.256 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.574 -8.361 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.065 -9.118 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.151 -7.435 6.731 1.00 0.00 H new ATOM 118 N VAL A 11 -9.497 -6.578 -0.862 1.00 0.00 N ATOM 119 CA VAL A 11 -9.830 -5.395 -1.646 1.00 0.00 C ATOM 120 C VAL A 11 -10.848 -4.523 -0.919 1.00 0.00 C ATOM 121 O VAL A 11 -12.050 -4.790 -0.956 1.00 0.00 O ATOM 122 CB VAL A 11 -10.392 -5.777 -3.028 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.751 -4.531 -3.823 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.394 -6.636 -3.790 1.00 0.00 C ATOM 0 H VAL A 11 -10.258 -7.250 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.905 -4.834 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.302 -6.359 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.146 -4.822 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.504 -3.959 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.860 -3.919 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.808 -6.897 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.466 -6.081 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.193 -7.547 -3.226 1.00 0.00 H new ATOM 134 N LEU A 12 -10.360 -3.478 -0.259 1.00 0.00 N ATOM 135 CA LEU A 12 -11.227 -2.565 0.477 1.00 0.00 C ATOM 136 C LEU A 12 -11.939 -1.607 -0.473 1.00 0.00 C ATOM 137 O LEU A 12 -11.415 -1.261 -1.531 1.00 0.00 O ATOM 138 CB LEU A 12 -10.413 -1.774 1.502 1.00 0.00 C ATOM 139 CG LEU A 12 -9.514 -2.597 2.425 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.501 -1.701 3.121 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.349 -3.355 3.446 1.00 0.00 C ATOM 0 H LEU A 12 -9.368 -3.242 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.979 -3.157 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.791 -1.057 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.104 -1.199 2.119 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.971 -3.323 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.870 -2.304 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.881 -1.204 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.025 -0.952 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.692 -3.935 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.919 -2.647 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.034 -4.027 2.929 1.00 0.00 H new ATOM 153 N VAL A 13 -13.137 -1.180 -0.085 1.00 0.00 N ATOM 154 CA VAL A 13 -13.921 -0.259 -0.900 1.00 0.00 C ATOM 155 C VAL A 13 -14.364 0.952 -0.088 1.00 0.00 C ATOM 156 O VAL A 13 -14.384 0.915 1.142 1.00 0.00 O ATOM 157 CB VAL A 13 -15.165 -0.951 -1.490 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.767 -1.898 -2.612 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.929 -1.690 -0.402 1.00 0.00 C ATOM 0 H VAL A 13 -13.585 -1.457 0.788 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.276 0.070 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.821 -0.187 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.658 -2.378 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.267 -1.337 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.090 -2.659 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.804 -2.173 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.284 -2.445 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.247 -0.983 0.364 1.00 0.00 H new ATOM 169 N GLY A 14 -14.719 2.028 -0.784 1.00 0.00 N ATOM 170 CA GLY A 14 -15.158 3.236 -0.111 1.00 0.00 C ATOM 171 C GLY A 14 -16.478 3.051 0.611 1.00 0.00 C ATOM 172 O GLY A 14 -16.951 3.957 1.297 1.00 0.00 O ATOM 0 H GLY A 14 -14.710 2.084 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.397 3.547 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.256 4.040 -0.841 1.00 0.00 H new ATOM 176 N LYS A 15 -17.076 1.875 0.455 1.00 0.00 N ATOM 177 CA LYS A 15 -18.350 1.573 1.097 1.00 0.00 C ATOM 178 C LYS A 15 -18.132 0.912 2.454 1.00 0.00 C ATOM 179 O LYS A 15 -18.746 1.297 3.448 1.00 0.00 O ATOM 180 CB LYS A 15 -19.191 0.659 0.203 1.00 0.00 C ATOM 181 CG LYS A 15 -20.651 0.584 0.613 1.00 0.00 C ATOM 182 CD LYS A 15 -21.496 -0.093 -0.454 1.00 0.00 C ATOM 183 CE LYS A 15 -21.681 0.802 -1.669 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.585 0.186 -2.680 1.00 0.00 N ATOM 0 H LYS A 15 -16.699 1.115 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.882 2.512 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.129 1.014 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.765 -0.344 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.739 0.035 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.031 1.589 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -21.022 -1.026 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.470 -0.351 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.090 1.762 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.711 1.002 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.685 0.827 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.183 -0.718 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.519 0.018 -2.254 1.00 0.00 H new ATOM 198 N ASN A 16 -17.253 -0.084 2.488 1.00 0.00 N ATOM 199 CA ASN A 16 -16.953 -0.798 3.725 1.00 0.00 C ATOM 200 C ASN A 16 -15.459 -0.755 4.029 1.00 0.00 C ATOM 201 O ASN A 16 -14.919 -1.656 4.673 1.00 0.00 O ATOM 202 CB ASN A 16 -17.424 -2.250 3.627 1.00 0.00 C ATOM 203 CG ASN A 16 -16.721 -3.012 2.520 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.241 -3.139 1.411 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.533 -3.525 2.817 1.00 0.00 N ATOM 0 H ASN A 16 -16.736 -0.415 1.674 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.485 -0.305 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.247 -2.751 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.500 -2.269 3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.013 -4.049 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.140 -3.395 3.749 1.00 0.00 H new ATOM 212 N PHE A 17 -14.795 0.297 3.562 1.00 0.00 N ATOM 213 CA PHE A 17 -13.363 0.457 3.783 1.00 0.00 C ATOM 214 C PHE A 17 -13.025 0.340 5.267 1.00 0.00 C ATOM 215 O PHE A 17 -12.358 -0.604 5.689 1.00 0.00 O ATOM 216 CB PHE A 17 -12.890 1.810 3.247 1.00 0.00 C ATOM 217 CG PHE A 17 -11.684 2.350 3.961 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.484 1.659 3.942 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.751 3.550 4.651 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.373 2.153 4.599 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.644 4.050 5.309 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.453 3.351 5.283 1.00 0.00 C ATOM 0 H PHE A 17 -15.226 1.052 3.028 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.847 -0.339 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.660 1.711 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.704 2.530 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.416 0.723 3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.680 4.101 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.444 1.603 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.710 4.986 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.586 3.740 5.796 1.00 0.00 H new ATOM 232 N GLU A 18 -13.490 1.307 6.052 1.00 0.00 N ATOM 233 CA GLU A 18 -13.237 1.312 7.488 1.00 0.00 C ATOM 234 C GLU A 18 -13.750 0.030 8.136 1.00 0.00 C ATOM 235 O GLU A 18 -13.152 -0.482 9.082 1.00 0.00 O ATOM 236 CB GLU A 18 -13.900 2.527 8.140 1.00 0.00 C ATOM 237 CG GLU A 18 -13.339 3.856 7.663 1.00 0.00 C ATOM 238 CD GLU A 18 -14.278 5.016 7.931 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.465 5.367 9.115 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.826 5.573 6.956 1.00 0.00 O ATOM 0 H GLU A 18 -14.043 2.096 5.718 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.159 1.369 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.970 2.500 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.780 2.459 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.386 4.043 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.136 3.797 6.594 1.00 0.00 H new ATOM 247 N ASP A 19 -14.861 -0.483 7.620 1.00 0.00 N ATOM 248 CA ASP A 19 -15.456 -1.706 8.147 1.00 0.00 C ATOM 249 C ASP A 19 -14.420 -2.823 8.228 1.00 0.00 C ATOM 250 O ASP A 19 -14.399 -3.596 9.185 1.00 0.00 O ATOM 251 CB ASP A 19 -16.631 -2.145 7.273 1.00 0.00 C ATOM 252 CG ASP A 19 -17.945 -1.531 7.717 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.517 -2.013 8.717 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.400 -0.569 7.065 1.00 0.00 O ATOM 0 H ASP A 19 -15.368 -0.071 6.837 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.820 -1.499 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.434 -1.866 6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.714 -3.232 7.300 1.00 0.00 H new ATOM 259 N VAL A 20 -13.563 -2.902 7.215 1.00 0.00 N ATOM 260 CA VAL A 20 -12.524 -3.924 7.170 1.00 0.00 C ATOM 261 C VAL A 20 -11.189 -3.373 7.659 1.00 0.00 C ATOM 262 O VAL A 20 -10.578 -3.921 8.576 1.00 0.00 O ATOM 263 CB VAL A 20 -12.347 -4.482 5.746 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.122 -5.381 5.673 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.595 -5.232 5.308 1.00 0.00 C ATOM 0 H VAL A 20 -13.568 -2.270 6.414 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.844 -4.730 7.830 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.196 -3.646 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.013 -5.766 4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.234 -4.808 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.240 -6.214 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.452 -5.619 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.780 -6.060 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.449 -4.555 5.319 1.00 0.00 H new ATOM 275 N ALA A 21 -10.743 -2.285 7.040 1.00 0.00 N ATOM 276 CA ALA A 21 -9.481 -1.658 7.413 1.00 0.00 C ATOM 277 C ALA A 21 -9.373 -1.500 8.926 1.00 0.00 C ATOM 278 O ALA A 21 -8.502 -2.096 9.561 1.00 0.00 O ATOM 279 CB ALA A 21 -9.341 -0.306 6.728 1.00 0.00 C ATOM 0 H ALA A 21 -11.237 -1.820 6.278 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.670 -2.306 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.394 0.151 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.365 -0.442 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.163 0.342 7.031 1.00 0.00 H new ATOM 285 N PHE A 22 -10.261 -0.694 9.497 1.00 0.00 N ATOM 286 CA PHE A 22 -10.264 -0.456 10.936 1.00 0.00 C ATOM 287 C PHE A 22 -10.867 -1.643 11.682 1.00 0.00 C ATOM 288 O PHE A 22 -12.076 -1.701 11.904 1.00 0.00 O ATOM 289 CB PHE A 22 -11.047 0.817 11.263 1.00 0.00 C ATOM 290 CG PHE A 22 -10.299 2.079 10.942 1.00 0.00 C ATOM 291 CD1 PHE A 22 -9.019 2.285 11.431 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.876 3.060 10.151 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.329 3.447 11.138 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.191 4.223 9.854 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.915 4.416 10.347 1.00 0.00 C ATOM 0 H PHE A 22 -10.988 -0.194 8.986 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.231 -0.332 11.260 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.986 0.809 10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.302 0.815 12.323 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.555 1.530 12.048 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.873 2.914 9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.333 3.597 11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.653 4.980 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.377 5.323 10.114 1.00 0.00 H new ATOM 305 N ASP A 23 -10.015 -2.588 12.065 1.00 0.00 N ATOM 306 CA ASP A 23 -10.463 -3.774 12.786 1.00 0.00 C ATOM 307 C ASP A 23 -9.699 -3.934 14.096 1.00 0.00 C ATOM 308 O ASP A 23 -8.468 -3.956 14.109 1.00 0.00 O ATOM 309 CB ASP A 23 -10.281 -5.022 11.920 1.00 0.00 C ATOM 310 CG ASP A 23 -11.074 -6.206 12.438 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.290 -6.047 12.677 1.00 0.00 O ATOM 312 OD2 ASP A 23 -10.480 -7.291 12.605 1.00 0.00 O ATOM 0 H ASP A 23 -9.011 -2.556 11.888 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.521 -3.651 13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.590 -4.800 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.224 -5.284 11.883 1.00 0.00 H new ATOM 317 N GLU A 24 -10.437 -4.043 15.197 1.00 0.00 N ATOM 318 CA GLU A 24 -9.827 -4.198 16.512 1.00 0.00 C ATOM 319 C GLU A 24 -9.091 -5.530 16.617 1.00 0.00 C ATOM 320 O GLU A 24 -9.452 -6.506 15.959 1.00 0.00 O ATOM 321 CB GLU A 24 -10.893 -4.104 17.607 1.00 0.00 C ATOM 322 CG GLU A 24 -10.430 -4.633 18.954 1.00 0.00 C ATOM 323 CD GLU A 24 -11.095 -3.925 20.118 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.319 -3.690 20.049 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.390 -3.607 21.099 1.00 0.00 O ATOM 0 H GLU A 24 -11.457 -4.027 15.204 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.105 -3.392 16.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.195 -3.063 17.719 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.776 -4.660 17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.642 -5.700 19.013 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.349 -4.518 19.033 1.00 0.00 H new ATOM 332 N LYS A 25 -8.055 -5.563 17.449 1.00 0.00 N ATOM 333 CA LYS A 25 -7.267 -6.774 17.642 1.00 0.00 C ATOM 334 C LYS A 25 -6.822 -7.353 16.303 1.00 0.00 C ATOM 335 O LYS A 25 -6.748 -8.571 16.134 1.00 0.00 O ATOM 336 CB LYS A 25 -8.077 -7.817 18.416 1.00 0.00 C ATOM 337 CG LYS A 25 -8.509 -7.350 19.795 1.00 0.00 C ATOM 338 CD LYS A 25 -7.343 -7.332 20.769 1.00 0.00 C ATOM 339 CE LYS A 25 -6.759 -5.935 20.914 1.00 0.00 C ATOM 340 NZ LYS A 25 -5.725 -5.874 21.984 1.00 0.00 N ATOM 0 H LYS A 25 -7.742 -4.764 18.000 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.379 -6.511 18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.962 -8.080 17.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.482 -8.724 18.519 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.940 -6.351 19.723 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.291 -8.008 20.174 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.676 -7.691 21.743 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.569 -8.017 20.424 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.319 -5.625 19.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.558 -5.229 21.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.352 -4.906 22.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.150 -6.145 22.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.950 -6.529 21.755 1.00 0.00 H new ATOM 354 N LYS A 26 -6.524 -6.473 15.353 1.00 0.00 N ATOM 355 CA LYS A 26 -6.083 -6.896 14.029 1.00 0.00 C ATOM 356 C LYS A 26 -5.244 -5.810 13.362 1.00 0.00 C ATOM 357 O LYS A 26 -5.688 -4.672 13.216 1.00 0.00 O ATOM 358 CB LYS A 26 -7.290 -7.234 13.150 1.00 0.00 C ATOM 359 CG LYS A 26 -6.937 -7.448 11.689 1.00 0.00 C ATOM 360 CD LYS A 26 -6.467 -8.870 11.431 1.00 0.00 C ATOM 361 CE LYS A 26 -7.528 -9.887 11.823 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.350 -10.362 13.223 1.00 0.00 N ATOM 0 H LYS A 26 -6.580 -5.462 15.475 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.466 -7.787 14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.769 -8.134 13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.020 -6.428 13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.807 -7.233 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.156 -6.747 11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.221 -8.987 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.553 -9.060 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.517 -9.441 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.485 -10.737 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.986 -11.336 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.675 -9.744 13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.265 -10.339 13.717 1.00 0.00 H new ATOM 376 N ASN A 27 -4.030 -6.171 12.960 1.00 0.00 N ATOM 377 CA ASN A 27 -3.129 -5.227 12.308 1.00 0.00 C ATOM 378 C ASN A 27 -3.289 -5.281 10.792 1.00 0.00 C ATOM 379 O ASN A 27 -2.611 -6.052 10.113 1.00 0.00 O ATOM 380 CB ASN A 27 -1.678 -5.527 12.691 1.00 0.00 C ATOM 381 CG ASN A 27 -1.484 -5.621 14.192 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.327 -4.607 14.873 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.493 -6.842 14.714 1.00 0.00 N ATOM 0 H ASN A 27 -3.647 -7.110 13.074 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.387 -4.224 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.369 -6.464 12.228 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.031 -4.746 12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.366 -6.968 15.718 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.626 -7.654 14.111 1.00 0.00 H new ATOM 390 N VAL A 28 -4.189 -4.456 10.267 1.00 0.00 N ATOM 391 CA VAL A 28 -4.437 -4.408 8.831 1.00 0.00 C ATOM 392 C VAL A 28 -3.577 -3.343 8.160 1.00 0.00 C ATOM 393 O VAL A 28 -3.483 -2.212 8.639 1.00 0.00 O ATOM 394 CB VAL A 28 -5.920 -4.121 8.527 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.179 -4.183 7.029 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.815 -5.100 9.272 1.00 0.00 C ATOM 0 H VAL A 28 -4.759 -3.811 10.815 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.175 -5.388 8.432 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.156 -3.114 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.231 -3.978 6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.564 -3.439 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.928 -5.176 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.859 -4.883 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.580 -6.118 8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.648 -5.002 10.345 1.00 0.00 H new ATOM 406 N PHE A 29 -2.950 -3.711 7.048 1.00 0.00 N ATOM 407 CA PHE A 29 -2.097 -2.787 6.310 1.00 0.00 C ATOM 408 C PHE A 29 -2.686 -2.482 4.936 1.00 0.00 C ATOM 409 O PHE A 29 -2.542 -3.267 3.998 1.00 0.00 O ATOM 410 CB PHE A 29 -0.691 -3.371 6.156 1.00 0.00 C ATOM 411 CG PHE A 29 0.281 -2.430 5.502 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.121 -1.059 5.615 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.353 -2.918 4.773 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.013 -0.190 5.014 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.249 -2.055 4.170 1.00 0.00 C ATOM 416 CZ PHE A 29 2.078 -0.689 4.290 1.00 0.00 C ATOM 0 H PHE A 29 -3.016 -4.643 6.638 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.037 -1.857 6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.311 -3.647 7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.749 -4.287 5.568 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.711 -0.664 6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.490 -3.985 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.877 0.877 5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.082 -2.448 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.776 -0.013 3.819 1.00 0.00 H new ATOM 426 N VAL A 30 -3.350 -1.336 4.824 1.00 0.00 N ATOM 427 CA VAL A 30 -3.960 -0.925 3.565 1.00 0.00 C ATOM 428 C VAL A 30 -2.939 -0.259 2.650 1.00 0.00 C ATOM 429 O VAL A 30 -1.909 0.235 3.109 1.00 0.00 O ATOM 430 CB VAL A 30 -5.133 0.045 3.801 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.854 0.339 2.494 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.095 -0.522 4.834 1.00 0.00 C ATOM 0 H VAL A 30 -3.479 -0.675 5.590 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.336 -1.829 3.086 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.733 0.983 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.680 1.026 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.158 0.792 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.242 -0.590 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.917 0.177 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.490 -1.474 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.568 -0.676 5.776 1.00 0.00 H new ATOM 442 N GLU A 31 -3.232 -0.248 1.354 1.00 0.00 N ATOM 443 CA GLU A 31 -2.338 0.358 0.374 1.00 0.00 C ATOM 444 C GLU A 31 -3.121 1.195 -0.632 1.00 0.00 C ATOM 445 O GLU A 31 -3.780 0.659 -1.524 1.00 0.00 O ATOM 446 CB GLU A 31 -1.539 -0.723 -0.357 1.00 0.00 C ATOM 447 CG GLU A 31 -0.970 -0.263 -1.689 1.00 0.00 C ATOM 448 CD GLU A 31 -0.373 -1.402 -2.493 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.119 -2.029 -3.275 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.838 -1.665 -2.342 1.00 0.00 O ATOM 0 H GLU A 31 -4.081 -0.652 0.958 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.648 1.013 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.721 -1.054 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.182 -1.587 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.758 0.214 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.204 0.492 -1.511 1.00 0.00 H new ATOM 457 N PHE A 32 -3.045 2.514 -0.482 1.00 0.00 N ATOM 458 CA PHE A 32 -3.748 3.426 -1.377 1.00 0.00 C ATOM 459 C PHE A 32 -2.964 3.632 -2.669 1.00 0.00 C ATOM 460 O PHE A 32 -2.032 4.436 -2.722 1.00 0.00 O ATOM 461 CB PHE A 32 -3.979 4.773 -0.687 1.00 0.00 C ATOM 462 CG PHE A 32 -4.873 4.684 0.517 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.251 4.669 0.373 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.335 4.616 1.792 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.076 4.588 1.478 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.156 4.533 2.901 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.528 4.521 2.744 1.00 0.00 C ATOM 0 H PHE A 32 -2.504 2.974 0.250 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.712 2.982 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.017 5.188 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.416 5.469 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.685 4.721 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.263 4.628 1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.149 4.577 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.725 4.478 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.171 4.459 3.609 1.00 0.00 H new ATOM 477 N TYR A 33 -3.347 2.901 -3.710 1.00 0.00 N ATOM 478 CA TYR A 33 -2.679 3.000 -5.002 1.00 0.00 C ATOM 479 C TYR A 33 -3.560 3.725 -6.016 1.00 0.00 C ATOM 480 O TYR A 33 -4.706 4.066 -5.727 1.00 0.00 O ATOM 481 CB TYR A 33 -2.322 1.607 -5.523 1.00 0.00 C ATOM 482 CG TYR A 33 -3.526 0.780 -5.914 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.166 0.979 -7.131 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.023 -0.203 -5.066 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.266 0.226 -7.491 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.122 -0.962 -5.419 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.740 -0.743 -6.632 1.00 0.00 C ATOM 488 OH TYR A 33 -6.835 -1.497 -6.988 1.00 0.00 O ATOM 0 H TYR A 33 -4.117 2.233 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.763 3.575 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.665 1.709 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.759 1.075 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.797 1.736 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.542 -0.376 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.753 0.395 -8.440 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.495 -1.722 -4.749 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.596 -1.257 -6.419 1.00 0.00 H new ATOM 498 N ALA A 34 -3.014 3.956 -7.205 1.00 0.00 N ATOM 499 CA ALA A 34 -3.748 4.637 -8.264 1.00 0.00 C ATOM 500 C ALA A 34 -3.707 3.838 -9.562 1.00 0.00 C ATOM 501 O ALA A 34 -2.668 3.316 -9.965 1.00 0.00 O ATOM 502 CB ALA A 34 -3.185 6.033 -8.483 1.00 0.00 C ATOM 0 H ALA A 34 -2.065 3.681 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.789 4.722 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.743 6.530 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.273 6.609 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.135 5.961 -8.767 1.00 0.00 H new ATOM 508 N PRO A 35 -4.864 3.738 -10.233 1.00 0.00 N ATOM 509 CA PRO A 35 -4.986 3.004 -11.496 1.00 0.00 C ATOM 510 C PRO A 35 -4.267 3.703 -12.645 1.00 0.00 C ATOM 511 O PRO A 35 -4.231 3.196 -13.766 1.00 0.00 O ATOM 512 CB PRO A 35 -6.496 2.978 -11.747 1.00 0.00 C ATOM 513 CG PRO A 35 -7.021 4.168 -11.020 1.00 0.00 C ATOM 514 CD PRO A 35 -6.143 4.335 -9.812 1.00 0.00 C ATOM 0 HA PRO A 35 -4.533 2.014 -11.437 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.721 3.033 -12.812 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.944 2.057 -11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.990 5.056 -11.651 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.061 4.020 -10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.027 5.385 -9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.557 3.826 -8.941 1.00 0.00 H new ATOM 522 N TRP A 36 -3.695 4.866 -12.358 1.00 0.00 N ATOM 523 CA TRP A 36 -2.976 5.634 -13.368 1.00 0.00 C ATOM 524 C TRP A 36 -1.555 5.942 -12.908 1.00 0.00 C ATOM 525 O TRP A 36 -0.615 5.912 -13.704 1.00 0.00 O ATOM 526 CB TRP A 36 -3.719 6.935 -13.674 1.00 0.00 C ATOM 527 CG TRP A 36 -4.511 7.455 -12.512 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.823 7.197 -12.234 1.00 0.00 C ATOM 529 CD2 TRP A 36 -4.041 8.322 -11.475 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.197 7.852 -11.085 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.122 8.549 -10.600 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.813 8.929 -11.198 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -5.009 9.356 -9.471 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.702 9.729 -10.078 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.795 9.937 -9.225 1.00 0.00 C ATOM 0 H TRP A 36 -3.715 5.298 -11.434 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.922 5.033 -14.276 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.998 7.693 -13.981 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.390 6.772 -14.518 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.471 6.571 -12.829 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.125 7.824 -10.662 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.965 8.775 -11.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.850 9.518 -8.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.757 10.202 -9.855 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.676 10.568 -8.357 1.00 0.00 H new ATOM 546 N CYS A 37 -1.405 6.238 -11.622 1.00 0.00 N ATOM 547 CA CYS A 37 -0.098 6.552 -11.057 1.00 0.00 C ATOM 548 C CYS A 37 0.936 5.509 -11.467 1.00 0.00 C ATOM 549 O CYS A 37 0.738 4.311 -11.268 1.00 0.00 O ATOM 550 CB CYS A 37 -0.184 6.631 -9.532 1.00 0.00 C ATOM 551 SG CYS A 37 1.330 7.219 -8.737 1.00 0.00 S ATOM 0 H CYS A 37 -2.173 6.267 -10.951 1.00 0.00 H new ATOM 0 HA CYS A 37 0.216 7.521 -11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.006 7.293 -9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.427 5.643 -9.141 1.00 0.00 H new ATOM 0 HG CYS A 37 1.040 8.175 -7.905 1.00 0.00 H new ATOM 557 N GLY A 38 2.041 5.973 -12.043 1.00 0.00 N ATOM 558 CA GLY A 38 3.090 5.066 -12.474 1.00 0.00 C ATOM 559 C GLY A 38 3.675 4.269 -11.326 1.00 0.00 C ATOM 560 O GLY A 38 3.486 3.055 -11.244 1.00 0.00 O ATOM 0 H GLY A 38 2.229 6.960 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.689 4.381 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.883 5.636 -12.958 1.00 0.00 H new ATOM 564 N HIS A 39 4.389 4.951 -10.436 1.00 0.00 N ATOM 565 CA HIS A 39 5.005 4.298 -9.287 1.00 0.00 C ATOM 566 C HIS A 39 4.078 3.235 -8.705 1.00 0.00 C ATOM 567 O HIS A 39 4.529 2.169 -8.283 1.00 0.00 O ATOM 568 CB HIS A 39 5.354 5.330 -8.214 1.00 0.00 C ATOM 569 CG HIS A 39 6.488 6.231 -8.595 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.710 7.454 -7.998 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.466 6.080 -9.518 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.776 8.017 -8.539 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.254 7.204 -9.463 1.00 0.00 N ATOM 0 H HIS A 39 4.555 5.956 -10.489 1.00 0.00 H new ATOM 0 HA HIS A 39 5.920 3.812 -9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.473 5.937 -8.005 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.609 4.810 -7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.602 5.234 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.187 8.979 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.075 7.382 -10.042 1.00 0.00 H new ATOM 582 N CYS A 40 2.784 3.532 -8.686 1.00 0.00 N ATOM 583 CA CYS A 40 1.794 2.601 -8.155 1.00 0.00 C ATOM 584 C CYS A 40 1.695 1.355 -9.028 1.00 0.00 C ATOM 585 O CYS A 40 1.631 0.233 -8.523 1.00 0.00 O ATOM 586 CB CYS A 40 0.427 3.280 -8.057 1.00 0.00 C ATOM 587 SG CYS A 40 0.360 4.638 -6.865 1.00 0.00 S ATOM 0 H CYS A 40 2.395 4.409 -9.032 1.00 0.00 H new ATOM 0 HA CYS A 40 2.114 2.298 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.151 3.660 -9.041 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.319 2.534 -7.783 1.00 0.00 H new ATOM 0 HG CYS A 40 0.897 5.701 -7.387 1.00 0.00 H new ATOM 593 N LYS A 41 1.682 1.558 -10.341 1.00 0.00 N ATOM 594 CA LYS A 41 1.591 0.451 -11.286 1.00 0.00 C ATOM 595 C LYS A 41 2.647 -0.608 -10.986 1.00 0.00 C ATOM 596 O LYS A 41 2.483 -1.776 -11.339 1.00 0.00 O ATOM 597 CB LYS A 41 1.758 0.962 -12.719 1.00 0.00 C ATOM 598 CG LYS A 41 0.474 1.500 -13.326 1.00 0.00 C ATOM 599 CD LYS A 41 0.758 2.489 -14.444 1.00 0.00 C ATOM 600 CE LYS A 41 -0.477 2.736 -15.297 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.730 1.614 -16.243 1.00 0.00 N ATOM 0 H LYS A 41 1.733 2.480 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 41 0.606 -0.004 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.513 1.749 -12.730 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.134 0.151 -13.343 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.121 0.673 -13.713 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.120 1.985 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.102 3.432 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.565 2.109 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.344 2.869 -14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.352 3.663 -15.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.539 1.850 -16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.113 1.459 -16.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.941 0.749 -15.706 1.00 0.00 H new ATOM 615 N GLN A 42 3.727 -0.193 -10.334 1.00 0.00 N ATOM 616 CA GLN A 42 4.808 -1.108 -9.987 1.00 0.00 C ATOM 617 C GLN A 42 4.552 -1.766 -8.635 1.00 0.00 C ATOM 618 O GLN A 42 5.101 -2.827 -8.335 1.00 0.00 O ATOM 619 CB GLN A 42 6.145 -0.364 -9.960 1.00 0.00 C ATOM 620 CG GLN A 42 6.672 -0.011 -11.341 1.00 0.00 C ATOM 621 CD GLN A 42 7.519 -1.115 -11.943 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.347 -1.720 -11.261 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.316 -1.384 -13.227 1.00 0.00 N ATOM 0 H GLN A 42 3.877 0.771 -10.035 1.00 0.00 H new ATOM 0 HA GLN A 42 4.849 -1.887 -10.748 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.031 0.551 -9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.883 -0.979 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.832 0.199 -12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.264 0.902 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.619 -0.858 -13.754 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.857 -2.117 -13.686 1.00 0.00 H new ATOM 632 N LEU A 43 3.714 -1.130 -7.823 1.00 0.00 N ATOM 633 CA LEU A 43 3.385 -1.654 -6.502 1.00 0.00 C ATOM 634 C LEU A 43 2.291 -2.713 -6.593 1.00 0.00 C ATOM 635 O LEU A 43 2.102 -3.506 -5.671 1.00 0.00 O ATOM 636 CB LEU A 43 2.936 -0.519 -5.579 1.00 0.00 C ATOM 637 CG LEU A 43 3.031 -0.797 -4.078 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.484 -0.931 -3.651 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.340 0.304 -3.287 1.00 0.00 C ATOM 0 H LEU A 43 3.251 -0.252 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 43 4.281 -2.118 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.535 0.363 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.902 -0.271 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 43 2.524 -1.739 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.532 -1.129 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.948 -1.755 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.015 -0.006 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.417 0.090 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.818 1.260 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.289 0.352 -3.572 1.00 0.00 H new ATOM 651 N ALA A 44 1.574 -2.721 -7.712 1.00 0.00 N ATOM 652 CA ALA A 44 0.502 -3.685 -7.926 1.00 0.00 C ATOM 653 C ALA A 44 0.975 -5.105 -7.634 1.00 0.00 C ATOM 654 O ALA A 44 0.379 -5.832 -6.838 1.00 0.00 O ATOM 655 CB ALA A 44 -0.022 -3.584 -9.350 1.00 0.00 C ATOM 0 H ALA A 44 1.716 -2.070 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.308 -3.450 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.822 -4.310 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.407 -2.579 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.787 -3.790 -10.051 1.00 0.00 H new ATOM 661 N PRO A 45 2.070 -5.512 -8.292 1.00 0.00 N ATOM 662 CA PRO A 45 2.646 -6.849 -8.119 1.00 0.00 C ATOM 663 C PRO A 45 3.284 -7.032 -6.746 1.00 0.00 C ATOM 664 O PRO A 45 3.000 -8.003 -6.044 1.00 0.00 O ATOM 665 CB PRO A 45 3.711 -6.921 -9.217 1.00 0.00 C ATOM 666 CG PRO A 45 4.082 -5.503 -9.478 1.00 0.00 C ATOM 667 CD PRO A 45 2.831 -4.699 -9.255 1.00 0.00 C ATOM 0 HA PRO A 45 1.889 -7.631 -8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.574 -7.503 -8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.322 -7.400 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.879 -5.179 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.450 -5.377 -10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.055 -3.709 -8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.277 -4.552 -10.182 1.00 0.00 H new ATOM 675 N ILE A 46 4.146 -6.094 -6.369 1.00 0.00 N ATOM 676 CA ILE A 46 4.822 -6.152 -5.079 1.00 0.00 C ATOM 677 C ILE A 46 3.818 -6.262 -3.937 1.00 0.00 C ATOM 678 O ILE A 46 4.047 -6.979 -2.962 1.00 0.00 O ATOM 679 CB ILE A 46 5.708 -4.913 -4.851 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.746 -4.789 -5.968 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.389 -4.991 -3.493 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.138 -3.360 -6.273 1.00 0.00 C ATOM 0 H ILE A 46 4.393 -5.285 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 46 5.452 -7.041 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 46 5.076 -4.025 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.638 -5.350 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.351 -5.250 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.012 -4.108 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.633 -5.036 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.011 -5.885 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.877 -3.349 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.256 -2.799 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.564 -2.901 -5.381 1.00 0.00 H new ATOM 694 N TRP A 47 2.704 -5.550 -4.065 1.00 0.00 N ATOM 695 CA TRP A 47 1.663 -5.569 -3.043 1.00 0.00 C ATOM 696 C TRP A 47 0.924 -6.902 -3.044 1.00 0.00 C ATOM 697 O TRP A 47 0.534 -7.407 -1.991 1.00 0.00 O ATOM 698 CB TRP A 47 0.675 -4.424 -3.271 1.00 0.00 C ATOM 699 CG TRP A 47 -0.228 -4.176 -2.101 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.573 -4.402 -2.042 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.150 -3.654 -0.822 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.055 -4.052 -0.804 1.00 0.00 N ATOM 703 CE2 TRP A 47 -1.018 -3.591 -0.037 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.360 -3.235 -0.264 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -1.008 -3.125 1.275 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.369 -2.773 1.038 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.191 -2.721 1.796 1.00 0.00 C ATOM 0 H TRP A 47 2.498 -4.953 -4.866 1.00 0.00 H new ATOM 0 HA TRP A 47 2.140 -5.440 -2.071 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.231 -3.513 -3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.068 -4.647 -4.148 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.170 -4.798 -2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.027 -4.124 -0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.273 -3.272 -0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.914 -3.084 1.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.299 -2.446 1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.231 -2.355 2.811 1.00 0.00 H new ATOM 718 N ASP A 48 0.734 -7.467 -4.232 1.00 0.00 N ATOM 719 CA ASP A 48 0.042 -8.744 -4.369 1.00 0.00 C ATOM 720 C ASP A 48 0.913 -9.891 -3.866 1.00 0.00 C ATOM 721 O ASP A 48 0.407 -10.936 -3.458 1.00 0.00 O ATOM 722 CB ASP A 48 -0.346 -8.983 -5.829 1.00 0.00 C ATOM 723 CG ASP A 48 -0.446 -10.458 -6.167 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.593 -11.149 -6.120 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.564 -10.920 -6.477 1.00 0.00 O ATOM 0 H ASP A 48 1.049 -7.061 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.863 -8.707 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.303 -8.501 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.392 -8.513 -6.480 1.00 0.00 H new ATOM 730 N LYS A 49 2.226 -9.689 -3.901 1.00 0.00 N ATOM 731 CA LYS A 49 3.169 -10.705 -3.449 1.00 0.00 C ATOM 732 C LYS A 49 3.290 -10.698 -1.928 1.00 0.00 C ATOM 733 O LYS A 49 3.622 -11.714 -1.317 1.00 0.00 O ATOM 734 CB LYS A 49 4.543 -10.473 -4.081 1.00 0.00 C ATOM 735 CG LYS A 49 4.618 -10.887 -5.541 1.00 0.00 C ATOM 736 CD LYS A 49 5.619 -10.040 -6.309 1.00 0.00 C ATOM 737 CE LYS A 49 7.046 -10.510 -6.070 1.00 0.00 C ATOM 738 NZ LYS A 49 8.030 -9.405 -6.239 1.00 0.00 N ATOM 0 H LYS A 49 2.661 -8.830 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 49 2.792 -11.679 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.798 -9.417 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.292 -11.027 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.901 -11.937 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.633 -10.792 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.394 -10.085 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.523 -8.997 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.130 -10.920 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.283 -11.317 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.990 -9.766 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.969 -9.030 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.819 -8.646 -5.560 1.00 0.00 H new ATOM 752 N LEU A 50 3.017 -9.547 -1.323 1.00 0.00 N ATOM 753 CA LEU A 50 3.094 -9.408 0.127 1.00 0.00 C ATOM 754 C LEU A 50 1.787 -9.838 0.785 1.00 0.00 C ATOM 755 O LEU A 50 1.787 -10.419 1.869 1.00 0.00 O ATOM 756 CB LEU A 50 3.416 -7.961 0.504 1.00 0.00 C ATOM 757 CG LEU A 50 2.889 -7.487 1.859 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.693 -8.108 2.991 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.928 -5.968 1.944 1.00 0.00 C ATOM 0 H LEU A 50 2.740 -8.697 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 50 3.892 -10.057 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.499 -7.836 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.013 -7.307 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 50 1.853 -7.810 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.304 -7.759 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.613 -9.194 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.739 -7.816 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.549 -5.648 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.955 -5.623 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.308 -5.543 1.155 1.00 0.00 H new ATOM 771 N GLY A 51 0.672 -9.549 0.120 1.00 0.00 N ATOM 772 CA GLY A 51 -0.627 -9.914 0.654 1.00 0.00 C ATOM 773 C GLY A 51 -0.778 -11.411 0.838 1.00 0.00 C ATOM 774 O GLY A 51 -1.308 -11.868 1.850 1.00 0.00 O ATOM 0 H GLY A 51 0.646 -9.068 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.775 -9.416 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.407 -9.553 -0.017 1.00 0.00 H new ATOM 778 N GLU A 52 -0.312 -12.177 -0.145 1.00 0.00 N ATOM 779 CA GLU A 52 -0.401 -13.631 -0.087 1.00 0.00 C ATOM 780 C GLU A 52 0.410 -14.179 1.084 1.00 0.00 C ATOM 781 O GLU A 52 0.097 -15.238 1.630 1.00 0.00 O ATOM 782 CB GLU A 52 0.094 -14.247 -1.397 1.00 0.00 C ATOM 783 CG GLU A 52 1.609 -14.309 -1.507 1.00 0.00 C ATOM 784 CD GLU A 52 2.075 -15.153 -2.678 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.424 -15.099 -3.742 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.089 -15.866 -2.529 1.00 0.00 O ATOM 0 H GLU A 52 0.130 -11.814 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.447 -13.900 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.310 -15.255 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.299 -13.668 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.004 -13.298 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.020 -14.717 -0.584 1.00 0.00 H new ATOM 793 N THR A 53 1.456 -13.452 1.464 1.00 0.00 N ATOM 794 CA THR A 53 2.313 -13.865 2.568 1.00 0.00 C ATOM 795 C THR A 53 1.575 -13.782 3.899 1.00 0.00 C ATOM 796 O THR A 53 1.785 -14.606 4.790 1.00 0.00 O ATOM 797 CB THR A 53 3.586 -13.001 2.645 1.00 0.00 C ATOM 798 OG1 THR A 53 4.350 -13.146 1.443 1.00 0.00 O ATOM 799 CG2 THR A 53 4.436 -13.394 3.843 1.00 0.00 C ATOM 0 H THR A 53 1.730 -12.574 1.023 1.00 0.00 H new ATOM 0 HA THR A 53 2.596 -14.900 2.377 1.00 0.00 H new ATOM 0 HB THR A 53 3.285 -11.960 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.947 -12.605 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.329 -12.770 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.861 -13.254 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.728 -14.441 3.755 1.00 0.00 H new ATOM 807 N TYR A 54 0.709 -12.783 4.028 1.00 0.00 N ATOM 808 CA TYR A 54 -0.060 -12.591 5.252 1.00 0.00 C ATOM 809 C TYR A 54 -1.558 -12.665 4.972 1.00 0.00 C ATOM 810 O TYR A 54 -2.356 -11.976 5.608 1.00 0.00 O ATOM 811 CB TYR A 54 0.285 -11.244 5.890 1.00 0.00 C ATOM 812 CG TYR A 54 1.763 -11.059 6.151 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.630 -10.705 5.125 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.291 -11.236 7.423 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.981 -10.535 5.358 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.641 -11.066 7.666 1.00 0.00 C ATOM 817 CZ TYR A 54 4.481 -10.717 6.630 1.00 0.00 C ATOM 818 OH TYR A 54 5.826 -10.547 6.867 1.00 0.00 O ATOM 0 H TYR A 54 0.522 -12.094 3.300 1.00 0.00 H new ATOM 0 HA TYR A 54 0.202 -13.391 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.063 -10.443 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.257 -11.148 6.831 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.241 -10.560 4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.636 -11.511 8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.642 -10.261 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.036 -11.206 8.662 1.00 0.00 H new ATOM 0 HH TYR A 54 6.015 -10.711 7.815 1.00 0.00 H new ATOM 828 N LYS A 55 -1.933 -13.506 4.014 1.00 0.00 N ATOM 829 CA LYS A 55 -3.335 -13.674 3.648 1.00 0.00 C ATOM 830 C LYS A 55 -4.061 -14.550 4.664 1.00 0.00 C ATOM 831 O LYS A 55 -5.253 -14.370 4.913 1.00 0.00 O ATOM 832 CB LYS A 55 -3.448 -14.291 2.253 1.00 0.00 C ATOM 833 CG LYS A 55 -3.214 -15.792 2.230 1.00 0.00 C ATOM 834 CD LYS A 55 -3.029 -16.306 0.813 1.00 0.00 C ATOM 835 CE LYS A 55 -2.145 -17.544 0.780 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.938 -18.796 0.928 1.00 0.00 N ATOM 0 H LYS A 55 -1.285 -14.082 3.477 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.804 -12.690 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.439 -14.080 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.727 -13.809 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.332 -16.033 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.059 -16.300 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.001 -16.540 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.585 -15.524 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.594 -17.572 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.407 -17.485 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.349 -19.613 0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.249 -18.895 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.770 -18.756 0.305 1.00 0.00 H new ATOM 850 N ASP A 56 -3.335 -15.497 5.248 1.00 0.00 N ATOM 851 CA ASP A 56 -3.910 -16.400 6.238 1.00 0.00 C ATOM 852 C ASP A 56 -3.275 -16.179 7.608 1.00 0.00 C ATOM 853 O ASP A 56 -3.269 -17.075 8.453 1.00 0.00 O ATOM 854 CB ASP A 56 -3.722 -17.854 5.804 1.00 0.00 C ATOM 855 CG ASP A 56 -4.328 -18.135 4.443 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.329 -17.476 4.091 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.800 -19.013 3.729 1.00 0.00 O ATOM 0 H ASP A 56 -2.347 -15.659 5.053 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.976 -16.187 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.658 -18.088 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.177 -18.513 6.544 1.00 0.00 H new ATOM 862 N HIS A 57 -2.741 -14.980 7.821 1.00 0.00 N ATOM 863 CA HIS A 57 -2.104 -14.641 9.088 1.00 0.00 C ATOM 864 C HIS A 57 -3.125 -14.619 10.221 1.00 0.00 C ATOM 865 O HIS A 57 -4.291 -14.959 10.025 1.00 0.00 O ATOM 866 CB HIS A 57 -1.408 -13.283 8.986 1.00 0.00 C ATOM 867 CG HIS A 57 -0.109 -13.218 9.729 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.008 -12.777 11.031 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.147 -13.544 9.345 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.255 -12.832 11.415 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.976 -13.295 10.411 1.00 0.00 N ATOM 0 H HIS A 57 -2.737 -14.228 7.132 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.360 -15.406 9.308 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.228 -13.054 7.936 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.076 -12.512 9.370 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.442 -13.928 8.380 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.633 -12.547 12.386 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.985 -13.444 10.425 1.00 0.00 H new ATOM 880 N GLU A 58 -2.677 -14.218 11.407 1.00 0.00 N ATOM 881 CA GLU A 58 -3.552 -14.154 12.571 1.00 0.00 C ATOM 882 C GLU A 58 -3.971 -12.715 12.859 1.00 0.00 C ATOM 883 O GLU A 58 -5.152 -12.428 13.047 1.00 0.00 O ATOM 884 CB GLU A 58 -2.853 -14.748 13.796 1.00 0.00 C ATOM 885 CG GLU A 58 -1.754 -13.861 14.359 1.00 0.00 C ATOM 886 CD GLU A 58 -0.897 -14.575 15.386 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.904 -15.824 15.400 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.219 -13.884 16.175 1.00 0.00 O ATOM 0 H GLU A 58 -1.714 -13.933 11.586 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.446 -14.738 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.594 -14.932 14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.427 -15.715 13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.121 -13.511 13.543 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.203 -12.979 14.816 1.00 0.00 H new ATOM 895 N ASN A 59 -2.993 -11.816 12.891 1.00 0.00 N ATOM 896 CA ASN A 59 -3.260 -10.407 13.157 1.00 0.00 C ATOM 897 C ASN A 59 -2.877 -9.545 11.957 1.00 0.00 C ATOM 898 O ASN A 59 -3.467 -8.489 11.725 1.00 0.00 O ATOM 899 CB ASN A 59 -2.490 -9.945 14.396 1.00 0.00 C ATOM 900 CG ASN A 59 -0.993 -9.894 14.160 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.466 -8.901 13.658 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.300 -10.967 14.522 1.00 0.00 N ATOM 0 H ASN A 59 -2.009 -12.037 12.736 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.329 -10.294 13.338 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.842 -8.957 14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.702 -10.620 15.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.711 -10.990 14.388 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.778 -11.768 14.935 1.00 0.00 H new ATOM 909 N ILE A 60 -1.889 -10.004 11.197 1.00 0.00 N ATOM 910 CA ILE A 60 -1.429 -9.277 10.020 1.00 0.00 C ATOM 911 C ILE A 60 -2.328 -9.551 8.819 1.00 0.00 C ATOM 912 O ILE A 60 -2.345 -10.659 8.283 1.00 0.00 O ATOM 913 CB ILE A 60 0.021 -9.650 9.658 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.935 -9.469 10.872 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.508 -8.807 8.490 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.381 -9.817 10.596 1.00 0.00 C ATOM 0 H ILE A 60 -1.391 -10.876 11.375 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.471 -8.216 10.268 1.00 0.00 H new ATOM 0 HB ILE A 60 0.048 -10.698 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.877 -8.434 11.210 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.569 -10.092 11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.534 -9.082 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.130 -8.982 7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.470 -7.752 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.971 -9.665 11.500 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.452 -10.860 10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.764 -9.177 9.801 1.00 0.00 H new ATOM 928 N VAL A 61 -3.073 -8.532 8.400 1.00 0.00 N ATOM 929 CA VAL A 61 -3.972 -8.662 7.260 1.00 0.00 C ATOM 930 C VAL A 61 -3.713 -7.570 6.229 1.00 0.00 C ATOM 931 O VAL A 61 -3.940 -6.388 6.491 1.00 0.00 O ATOM 932 CB VAL A 61 -5.447 -8.599 7.699 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.328 -8.144 6.545 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.903 -9.950 8.228 1.00 0.00 C ATOM 0 H VAL A 61 -3.071 -7.608 8.833 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.775 -9.636 6.811 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.538 -7.870 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.367 -8.105 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.014 -7.153 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.235 -8.847 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.947 -9.887 8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.798 -10.701 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.290 -10.231 9.085 1.00 0.00 H new ATOM 944 N ILE A 62 -3.236 -7.972 5.055 1.00 0.00 N ATOM 945 CA ILE A 62 -2.947 -7.028 3.984 1.00 0.00 C ATOM 946 C ILE A 62 -4.209 -6.682 3.201 1.00 0.00 C ATOM 947 O ILE A 62 -5.077 -7.530 2.996 1.00 0.00 O ATOM 948 CB ILE A 62 -1.890 -7.584 3.012 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.598 -7.911 3.762 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.623 -6.589 1.893 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.086 -6.694 4.346 1.00 0.00 C ATOM 0 H ILE A 62 -3.042 -8.946 4.822 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.556 -6.127 4.456 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.273 -8.503 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.821 -8.613 4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.090 -8.413 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.874 -6.997 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.546 -6.402 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.258 -5.654 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.995 -7.001 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.341 -6.000 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.585 -6.203 5.051 1.00 0.00 H new ATOM 963 N ALA A 63 -4.304 -5.430 2.764 1.00 0.00 N ATOM 964 CA ALA A 63 -5.458 -4.973 2.000 1.00 0.00 C ATOM 965 C ALA A 63 -5.075 -3.842 1.051 1.00 0.00 C ATOM 966 O ALA A 63 -4.130 -3.096 1.307 1.00 0.00 O ATOM 967 CB ALA A 63 -6.568 -4.524 2.938 1.00 0.00 C ATOM 0 H ALA A 63 -3.595 -4.714 2.926 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.820 -5.809 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.423 -4.185 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.869 -5.358 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.208 -3.706 3.562 1.00 0.00 H new ATOM 973 N LYS A 64 -5.814 -3.720 -0.046 1.00 0.00 N ATOM 974 CA LYS A 64 -5.553 -2.680 -1.034 1.00 0.00 C ATOM 975 C LYS A 64 -6.832 -1.923 -1.377 1.00 0.00 C ATOM 976 O LYS A 64 -7.919 -2.499 -1.397 1.00 0.00 O ATOM 977 CB LYS A 64 -4.953 -3.291 -2.302 1.00 0.00 C ATOM 978 CG LYS A 64 -5.945 -4.111 -3.110 1.00 0.00 C ATOM 979 CD LYS A 64 -5.364 -4.524 -4.452 1.00 0.00 C ATOM 980 CE LYS A 64 -6.404 -5.213 -5.321 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.778 -6.115 -6.327 1.00 0.00 N ATOM 0 H LYS A 64 -6.600 -4.329 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.839 -1.977 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.559 -2.491 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.110 -3.925 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.229 -5.000 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.854 -3.531 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.980 -3.645 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.519 -5.194 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.081 -5.788 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.006 -4.461 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.521 -6.565 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.151 -5.563 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.224 -6.848 -5.839 1.00 0.00 H new ATOM 995 N MET A 65 -6.694 -0.630 -1.650 1.00 0.00 N ATOM 996 CA MET A 65 -7.839 0.205 -1.995 1.00 0.00 C ATOM 997 C MET A 65 -7.443 1.282 -3.001 1.00 0.00 C ATOM 998 O MET A 65 -6.350 1.843 -2.925 1.00 0.00 O ATOM 999 CB MET A 65 -8.422 0.854 -0.739 1.00 0.00 C ATOM 1000 CG MET A 65 -9.812 1.434 -0.943 1.00 0.00 C ATOM 1001 SD MET A 65 -10.601 1.911 0.606 1.00 0.00 S ATOM 1002 CE MET A 65 -10.835 3.666 0.341 1.00 0.00 C ATOM 0 H MET A 65 -5.801 -0.137 -1.639 1.00 0.00 H new ATOM 0 HA MET A 65 -8.597 -0.432 -2.451 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.460 0.112 0.059 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.752 1.646 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.746 2.305 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.436 0.700 -1.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.690 4.198 1.281 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.113 4.023 -0.393 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.845 3.847 -0.026 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.338 1.564 -3.941 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.082 2.574 -4.961 1.00 0.00 C ATOM 1014 C ASP A 66 -8.547 3.949 -4.494 1.00 0.00 C ATOM 1015 O ASP A 66 -9.717 4.302 -4.640 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.785 2.200 -6.267 1.00 0.00 C ATOM 1017 CG ASP A 66 -9.129 0.725 -6.338 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.393 -0.085 -5.737 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -10.134 0.382 -6.994 1.00 0.00 O ATOM 0 H ASP A 66 -9.247 1.108 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.007 2.615 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.697 2.788 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.144 2.461 -7.109 1.00 0.00 H new ATOM 1024 N SER A 67 -7.624 4.721 -3.929 1.00 0.00 N ATOM 1025 CA SER A 67 -7.941 6.056 -3.435 1.00 0.00 C ATOM 1026 C SER A 67 -8.521 6.923 -4.548 1.00 0.00 C ATOM 1027 O SER A 67 -9.125 7.965 -4.290 1.00 0.00 O ATOM 1028 CB SER A 67 -6.690 6.719 -2.856 1.00 0.00 C ATOM 1029 OG SER A 67 -7.030 7.661 -1.853 1.00 0.00 O ATOM 0 H SER A 67 -6.650 4.445 -3.802 1.00 0.00 H new ATOM 0 HA SER A 67 -8.688 5.957 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.032 5.958 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.136 7.215 -3.653 1.00 0.00 H new ATOM 0 HG SER A 67 -7.813 8.176 -2.139 1.00 0.00 H new ATOM 1035 N THR A 68 -8.332 6.487 -5.790 1.00 0.00 N ATOM 1036 CA THR A 68 -8.835 7.222 -6.943 1.00 0.00 C ATOM 1037 C THR A 68 -10.290 6.870 -7.229 1.00 0.00 C ATOM 1038 O THR A 68 -11.047 7.690 -7.747 1.00 0.00 O ATOM 1039 CB THR A 68 -7.993 6.937 -8.202 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.310 5.641 -8.720 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.506 7.012 -7.887 1.00 0.00 C ATOM 0 H THR A 68 -7.834 5.628 -6.022 1.00 0.00 H new ATOM 0 HA THR A 68 -8.762 8.282 -6.698 1.00 0.00 H new ATOM 0 HB THR A 68 -8.229 7.695 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.796 5.737 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.932 6.807 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.262 8.009 -7.520 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.258 6.274 -7.125 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.675 5.645 -6.887 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.041 5.185 -7.105 1.00 0.00 C ATOM 1051 C ALA A 69 -12.832 5.178 -5.801 1.00 0.00 C ATOM 1052 O ALA A 69 -14.057 5.065 -5.808 1.00 0.00 O ATOM 1053 CB ALA A 69 -12.038 3.798 -7.730 1.00 0.00 C ATOM 0 H ALA A 69 -10.060 4.953 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.527 5.879 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.065 3.467 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.517 3.831 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.530 3.100 -7.064 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.123 5.299 -4.684 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.760 5.305 -3.371 1.00 0.00 C ATOM 1061 C ASN A 70 -12.142 6.371 -2.472 1.00 0.00 C ATOM 1062 O ASN A 70 -10.931 6.386 -2.253 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.632 3.930 -2.713 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.049 2.804 -3.640 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.238 2.534 -3.811 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.070 2.141 -4.244 1.00 0.00 N ATOM 0 H ASN A 70 -11.108 5.394 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.816 5.538 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.600 3.775 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.246 3.902 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.290 1.374 -4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.098 2.399 -4.073 1.00 0.00 H new ATOM 1073 N GLU A 71 -12.983 7.260 -1.953 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.518 8.330 -1.078 1.00 0.00 C ATOM 1075 C GLU A 71 -13.162 8.222 0.302 1.00 0.00 C ATOM 1076 O GLU A 71 -14.362 7.973 0.422 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.832 9.695 -1.693 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.844 10.781 -1.300 1.00 0.00 C ATOM 1079 CD GLU A 71 -10.426 10.463 -1.732 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -10.061 10.811 -2.875 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -9.681 9.866 -0.927 1.00 0.00 O ATOM 0 H GLU A 71 -13.989 7.261 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.438 8.230 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.843 9.601 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.834 9.999 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.152 11.726 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.869 10.916 -0.219 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.355 8.410 1.341 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.845 8.335 2.713 1.00 0.00 C ATOM 1090 C VAL A 72 -12.213 9.416 3.582 1.00 0.00 C ATOM 1091 O VAL A 72 -11.030 9.724 3.444 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.556 6.956 3.336 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.411 5.883 2.681 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.078 6.617 3.218 1.00 0.00 C ATOM 0 H VAL A 72 -11.359 8.615 1.259 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.923 8.490 2.674 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.813 6.995 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.192 4.916 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.465 6.121 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.189 5.842 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.892 5.640 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.792 6.597 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.489 7.371 3.740 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.011 9.988 4.478 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.529 11.036 5.370 1.00 0.00 C ATOM 1106 C GLU A 73 -11.625 10.455 6.454 1.00 0.00 C ATOM 1107 O GLU A 73 -10.710 11.121 6.936 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.707 11.772 6.012 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.507 10.913 6.978 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.586 11.697 7.699 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.666 11.904 7.108 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.349 12.104 8.856 1.00 0.00 O ATOM 0 H GLU A 73 -13.993 9.744 4.605 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.948 11.743 4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.332 12.648 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.370 12.134 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.966 10.089 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.832 10.472 7.711 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.891 9.209 6.832 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.103 8.538 7.858 1.00 0.00 C ATOM 1121 C ALA A 74 -9.629 8.481 7.468 1.00 0.00 C ATOM 1122 O ALA A 74 -8.769 8.185 8.296 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.640 7.135 8.102 1.00 0.00 C ATOM 0 H ALA A 74 -12.646 8.644 6.443 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.187 9.113 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.042 6.645 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.677 7.195 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.586 6.559 7.178 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.346 8.766 6.201 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.976 8.748 5.701 1.00 0.00 C ATOM 1131 C VAL A 75 -7.806 9.707 4.528 1.00 0.00 C ATOM 1132 O VAL A 75 -8.516 9.613 3.527 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.559 7.333 5.257 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.330 7.394 4.364 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.305 6.449 6.469 1.00 0.00 C ATOM 0 H VAL A 75 -10.047 9.012 5.502 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.335 9.067 6.523 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.375 6.896 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.050 6.385 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.552 7.991 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.505 7.850 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.011 5.453 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.507 6.880 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.215 6.379 7.066 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.861 10.631 4.659 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.595 11.608 3.610 1.00 0.00 C ATOM 1147 C LYS A 76 -5.344 11.233 2.822 1.00 0.00 C ATOM 1148 O LYS A 76 -4.264 11.070 3.392 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.430 13.004 4.215 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.665 13.500 4.946 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.667 14.125 3.989 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.058 14.185 4.600 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.094 14.530 3.587 1.00 0.00 N ATOM 0 H LYS A 76 -6.266 10.724 5.482 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.445 11.612 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.588 12.994 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.181 13.708 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.134 12.670 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.374 14.233 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.341 15.131 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.699 13.547 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.298 13.223 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.072 14.925 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.028 14.561 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.879 15.460 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.099 13.810 2.836 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.495 11.099 1.508 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.377 10.746 0.642 1.00 0.00 C ATOM 1169 C VAL A 77 -4.201 11.771 -0.473 1.00 0.00 C ATOM 1170 O VAL A 77 -5.011 11.845 -1.397 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.571 9.352 0.016 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.278 8.869 -0.623 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.060 8.362 1.062 1.00 0.00 C ATOM 0 H VAL A 77 -6.381 11.230 1.020 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.484 10.735 1.266 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.329 9.425 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.434 7.883 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.975 9.567 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.497 8.810 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.192 7.382 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.327 8.290 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.012 8.703 1.469 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.136 12.561 -0.380 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.851 13.582 -1.381 1.00 0.00 C ATOM 1185 C HIS A 78 -1.653 13.185 -2.238 1.00 0.00 C ATOM 1186 O HIS A 78 -1.000 14.035 -2.842 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.586 14.928 -0.707 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.585 15.274 0.354 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.270 16.017 1.472 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.901 14.975 0.462 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.348 16.159 2.222 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.352 15.536 1.632 1.00 0.00 N ATOM 0 H HIS A 78 -2.456 12.513 0.379 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.724 13.673 -2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.590 14.914 -0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.588 15.711 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.487 14.402 -0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.400 16.694 3.159 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.307 15.480 1.987 1.00 0.00 H new ATOM 1201 N SER A 79 -1.370 11.887 -2.285 1.00 0.00 N ATOM 1202 CA SER A 79 -0.247 11.377 -3.063 1.00 0.00 C ATOM 1203 C SER A 79 -0.327 9.859 -3.201 1.00 0.00 C ATOM 1204 O SER A 79 -1.103 9.201 -2.509 1.00 0.00 O ATOM 1205 CB SER A 79 1.077 11.772 -2.408 1.00 0.00 C ATOM 1206 OG SER A 79 1.521 13.034 -2.875 1.00 0.00 O ATOM 0 H SER A 79 -1.903 11.169 -1.793 1.00 0.00 H new ATOM 0 HA SER A 79 -0.297 11.818 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.955 11.804 -1.325 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.832 11.015 -2.622 1.00 0.00 H new ATOM 0 HG SER A 79 0.755 13.638 -2.963 1.00 0.00 H new ATOM 1212 N PHE A 80 0.483 9.310 -4.101 1.00 0.00 N ATOM 1213 CA PHE A 80 0.505 7.871 -4.331 1.00 0.00 C ATOM 1214 C PHE A 80 1.816 7.445 -4.985 1.00 0.00 C ATOM 1215 O PHE A 80 2.457 8.209 -5.707 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.675 7.456 -5.212 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.954 8.168 -4.875 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.759 7.721 -3.840 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.351 9.284 -5.594 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.936 8.375 -3.527 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.527 9.941 -5.285 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.321 9.486 -4.251 1.00 0.00 C ATOM 0 H PHE A 80 1.132 9.840 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 80 0.422 7.373 -3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.425 7.649 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.830 6.381 -5.115 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.464 6.852 -3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.735 9.644 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.554 8.017 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.825 10.810 -5.852 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.241 9.998 -4.009 1.00 0.00 H new ATOM 1232 N PRO A 81 2.227 6.194 -4.727 1.00 0.00 N ATOM 1233 CA PRO A 81 1.473 5.275 -3.869 1.00 0.00 C ATOM 1234 C PRO A 81 1.505 5.692 -2.403 1.00 0.00 C ATOM 1235 O PRO A 81 2.506 6.221 -1.918 1.00 0.00 O ATOM 1236 CB PRO A 81 2.195 3.938 -4.061 1.00 0.00 C ATOM 1237 CG PRO A 81 3.582 4.311 -4.457 1.00 0.00 C ATOM 1238 CD PRO A 81 3.458 5.581 -5.252 1.00 0.00 C ATOM 0 HA PRO A 81 0.416 5.246 -4.133 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.190 3.350 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.713 3.334 -4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.212 4.460 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.044 3.522 -5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.322 6.230 -5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.383 5.380 -6.321 1.00 0.00 H new ATOM 1246 N THR A 82 0.402 5.452 -1.700 1.00 0.00 N ATOM 1247 CA THR A 82 0.304 5.803 -0.289 1.00 0.00 C ATOM 1248 C THR A 82 -0.026 4.581 0.560 1.00 0.00 C ATOM 1249 O THR A 82 -1.033 3.909 0.334 1.00 0.00 O ATOM 1250 CB THR A 82 -0.769 6.884 -0.053 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.270 8.165 -0.453 1.00 0.00 O ATOM 1252 CG2 THR A 82 -1.179 6.928 1.411 1.00 0.00 C ATOM 0 H THR A 82 -0.436 5.016 -2.085 1.00 0.00 H new ATOM 0 HA THR A 82 1.277 6.196 0.008 1.00 0.00 H new ATOM 0 HB THR A 82 -1.645 6.633 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.407 8.283 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.937 7.698 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.586 5.960 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.309 7.157 2.026 1.00 0.00 H new ATOM 1260 N LEU A 83 0.826 4.300 1.539 1.00 0.00 N ATOM 1261 CA LEU A 83 0.625 3.158 2.424 1.00 0.00 C ATOM 1262 C LEU A 83 0.334 3.618 3.849 1.00 0.00 C ATOM 1263 O LEU A 83 0.960 4.551 4.352 1.00 0.00 O ATOM 1264 CB LEU A 83 1.857 2.252 2.410 1.00 0.00 C ATOM 1265 CG LEU A 83 2.373 1.842 1.030 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.638 1.007 1.159 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.302 1.076 0.267 1.00 0.00 C ATOM 0 H LEU A 83 1.663 4.847 1.740 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.235 2.596 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.662 2.759 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.625 1.348 2.972 1.00 0.00 H new ATOM 0 HG LEU A 83 2.615 2.746 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.990 0.725 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.408 1.589 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.423 0.108 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.686 0.792 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.030 0.179 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.422 1.707 0.143 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.618 2.955 4.497 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.990 3.293 5.866 1.00 0.00 C ATOM 1281 C LYS A 84 -1.234 2.032 6.690 1.00 0.00 C ATOM 1282 O LYS A 84 -2.037 1.179 6.314 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.244 4.170 5.874 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.123 5.411 5.006 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.930 6.568 5.571 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.721 7.840 4.763 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.550 8.620 5.250 1.00 0.00 N ATOM 0 H LYS A 84 -1.146 2.180 4.096 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.165 3.846 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.093 3.579 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.459 4.473 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.075 5.701 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.467 5.185 3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.988 6.307 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.641 6.742 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.576 7.584 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.617 8.457 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.852 9.586 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.154 8.160 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.825 8.660 4.505 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.537 1.923 7.816 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.678 0.767 8.693 1.00 0.00 C ATOM 1303 C PHE A 85 -1.725 1.028 9.772 1.00 0.00 C ATOM 1304 O PHE A 85 -1.695 2.058 10.446 1.00 0.00 O ATOM 1305 CB PHE A 85 0.665 0.425 9.342 1.00 0.00 C ATOM 1306 CG PHE A 85 0.567 -0.639 10.398 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.536 -1.979 10.048 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.506 -0.299 11.740 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.445 -2.960 11.017 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.416 -1.276 12.713 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.386 -2.608 12.352 1.00 0.00 C ATOM 0 H PHE A 85 0.131 2.621 8.143 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.007 -0.078 8.088 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.360 0.096 8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.086 1.328 9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.583 -2.260 9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.529 0.741 12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.420 -4.001 10.731 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.369 -0.998 13.755 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.317 -3.373 13.111 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.651 0.088 9.929 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.709 0.215 10.924 1.00 0.00 C ATOM 1323 C PHE A 86 -3.499 -0.768 12.072 1.00 0.00 C ATOM 1324 O PHE A 86 -3.697 -1.975 11.932 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.076 -0.021 10.279 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.334 0.851 9.084 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.546 1.964 8.839 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.365 0.558 8.206 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.781 2.768 7.740 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.604 1.358 7.105 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.811 2.465 6.872 1.00 0.00 C ATOM 0 H PHE A 86 -2.690 -0.770 9.380 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.674 1.228 11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.152 -1.066 9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.854 0.155 11.022 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.739 2.206 9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.989 -0.305 8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.159 3.633 7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.410 1.118 6.427 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.996 3.092 6.013 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.086 -0.241 13.234 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.840 -1.054 14.429 1.00 0.00 C ATOM 1343 C PRO A 87 -4.127 -1.613 15.026 1.00 0.00 C ATOM 1344 O PRO A 87 -5.225 -1.216 14.638 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.184 -0.069 15.399 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.670 1.271 14.965 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.830 1.189 13.472 1.00 0.00 C ATOM 0 HA PRO A 87 -2.227 -1.928 14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.470 -0.279 16.430 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.097 -0.131 15.351 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.616 1.518 15.446 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.960 2.051 15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.656 1.809 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.934 1.529 12.953 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.983 -2.535 15.972 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.134 -3.147 16.624 1.00 0.00 C ATOM 1357 C ALA A 88 -5.754 -2.198 17.645 1.00 0.00 C ATOM 1358 O ALA A 88 -5.947 -2.560 18.805 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.731 -4.453 17.291 1.00 0.00 C ATOM 0 H ALA A 88 -3.080 -2.875 16.304 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.883 -3.359 15.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.601 -4.899 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.341 -5.140 16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.962 -4.258 18.038 1.00 0.00 H new ATOM 1422 N THR A 93 -6.896 4.444 14.696 1.00 0.00 N ATOM 1423 CA THR A 93 -5.540 4.966 14.576 1.00 0.00 C ATOM 1424 C THR A 93 -4.902 4.540 13.259 1.00 0.00 C ATOM 1425 O THR A 93 -5.108 3.420 12.791 1.00 0.00 O ATOM 1426 CB THR A 93 -4.651 4.491 15.741 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.270 4.812 16.992 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.276 5.137 15.669 1.00 0.00 C ATOM 0 HA THR A 93 -5.615 6.053 14.605 1.00 0.00 H new ATOM 0 HB THR A 93 -4.532 3.410 15.662 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.236 4.913 16.863 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.666 4.787 16.501 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.796 4.867 14.728 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.380 6.221 15.726 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.126 5.441 12.664 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.456 5.158 11.401 1.00 0.00 C ATOM 1438 C VAL A 94 -1.985 5.556 11.458 1.00 0.00 C ATOM 1439 O VAL A 94 -1.643 6.639 11.933 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.131 5.897 10.230 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.238 5.877 8.999 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.488 5.280 9.923 1.00 0.00 C ATOM 0 H VAL A 94 -3.946 6.373 13.037 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.533 4.083 11.236 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.286 6.936 10.520 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.732 6.404 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.292 6.368 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.049 4.845 8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.951 5.814 9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.358 4.232 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.128 5.352 10.803 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.120 4.674 10.970 1.00 0.00 N ATOM 1453 CA ILE A 95 0.314 4.934 10.964 1.00 0.00 C ATOM 1454 C ILE A 95 0.821 5.183 9.548 1.00 0.00 C ATOM 1455 O ILE A 95 0.344 4.574 8.590 1.00 0.00 O ATOM 1456 CB ILE A 95 1.101 3.762 11.581 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.730 3.590 13.055 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.598 3.992 11.429 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.368 2.380 13.701 1.00 0.00 C ATOM 0 H ILE A 95 -1.387 3.773 10.574 1.00 0.00 H new ATOM 0 HA ILE A 95 0.476 5.827 11.568 1.00 0.00 H new ATOM 0 HB ILE A 95 0.838 2.847 11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.028 4.484 13.603 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.354 3.509 13.142 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.141 3.156 11.870 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.848 4.070 10.371 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.878 4.915 11.937 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.061 2.321 14.745 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.050 1.478 13.178 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.453 2.468 13.646 1.00 0.00 H new ATOM 1471 N ASP A 96 1.793 6.080 9.423 1.00 0.00 N ATOM 1472 CA ASP A 96 2.368 6.408 8.124 1.00 0.00 C ATOM 1473 C ASP A 96 3.585 5.536 7.832 1.00 0.00 C ATOM 1474 O ASP A 96 4.534 5.494 8.615 1.00 0.00 O ATOM 1475 CB ASP A 96 2.761 7.886 8.074 1.00 0.00 C ATOM 1476 CG ASP A 96 1.556 8.805 8.062 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.463 8.346 7.667 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.705 9.983 8.448 1.00 0.00 O ATOM 0 H ASP A 96 2.199 6.593 10.206 1.00 0.00 H new ATOM 0 HA ASP A 96 1.613 6.215 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.386 8.122 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.363 8.069 7.184 1.00 0.00 H new ATOM 1483 N TYR A 97 3.550 4.839 6.702 1.00 0.00 N ATOM 1484 CA TYR A 97 4.648 3.964 6.308 1.00 0.00 C ATOM 1485 C TYR A 97 5.670 4.719 5.463 1.00 0.00 C ATOM 1486 O TYR A 97 5.408 5.057 4.309 1.00 0.00 O ATOM 1487 CB TYR A 97 4.115 2.760 5.530 1.00 0.00 C ATOM 1488 CG TYR A 97 5.173 1.728 5.213 1.00 0.00 C ATOM 1489 CD1 TYR A 97 6.058 1.913 4.157 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.287 0.567 5.967 1.00 0.00 C ATOM 1491 CE1 TYR A 97 7.026 0.972 3.863 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.253 -0.379 5.681 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.120 -0.172 4.628 1.00 0.00 C ATOM 1494 OH TYR A 97 8.082 -1.112 4.338 1.00 0.00 O ATOM 0 H TYR A 97 2.773 4.863 6.042 1.00 0.00 H new ATOM 0 HA TYR A 97 5.142 3.612 7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.320 2.288 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.669 3.108 4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.988 2.808 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.609 0.401 6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.705 1.131 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.329 -1.275 6.279 1.00 0.00 H new ATOM 0 HH TYR A 97 7.710 -1.783 3.728 1.00 0.00 H new ATOM 1504 N ASN A 98 6.835 4.978 6.046 1.00 0.00 N ATOM 1505 CA ASN A 98 7.898 5.692 5.348 1.00 0.00 C ATOM 1506 C ASN A 98 9.196 4.891 5.368 1.00 0.00 C ATOM 1507 O ASN A 98 10.147 5.248 6.062 1.00 0.00 O ATOM 1508 CB ASN A 98 8.122 7.065 5.985 1.00 0.00 C ATOM 1509 CG ASN A 98 6.830 7.699 6.463 1.00 0.00 C ATOM 1510 OD1 ASN A 98 6.340 7.392 7.550 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.272 8.588 5.651 1.00 0.00 N ATOM 0 H ASN A 98 7.068 4.704 7.001 1.00 0.00 H new ATOM 0 HA ASN A 98 7.591 5.826 4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.807 6.964 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 98 8.601 7.724 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.402 9.048 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.713 8.812 4.759 1.00 0.00 H new ATOM 1518 N GLY A 99 9.228 3.806 4.600 1.00 0.00 N ATOM 1519 CA GLY A 99 10.414 2.972 4.544 1.00 0.00 C ATOM 1520 C GLY A 99 10.850 2.680 3.122 1.00 0.00 C ATOM 1521 O GLY A 99 10.627 3.487 2.220 1.00 0.00 O ATOM 0 H GLY A 99 8.454 3.490 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.227 3.466 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.219 2.033 5.061 1.00 0.00 H new ATOM 1525 N GLU A 100 11.476 1.524 2.921 1.00 0.00 N ATOM 1526 CA GLU A 100 11.947 1.131 1.599 1.00 0.00 C ATOM 1527 C GLU A 100 10.777 0.945 0.637 1.00 0.00 C ATOM 1528 O GLU A 100 10.868 1.288 -0.542 1.00 0.00 O ATOM 1529 CB GLU A 100 12.759 -0.163 1.686 1.00 0.00 C ATOM 1530 CG GLU A 100 12.022 -1.299 2.375 1.00 0.00 C ATOM 1531 CD GLU A 100 12.920 -2.485 2.667 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.445 -3.083 1.704 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.099 -2.816 3.858 1.00 0.00 O ATOM 0 H GLU A 100 11.668 0.844 3.657 1.00 0.00 H new ATOM 0 HA GLU A 100 12.586 1.928 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.034 -0.478 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.687 0.035 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.592 -0.935 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.192 -1.622 1.747 1.00 0.00 H new ATOM 1540 N ARG A 101 9.679 0.400 1.149 1.00 0.00 N ATOM 1541 CA ARG A 101 8.491 0.166 0.337 1.00 0.00 C ATOM 1542 C ARG A 101 8.695 -1.024 -0.596 1.00 0.00 C ATOM 1543 O ARG A 101 8.374 -0.959 -1.783 1.00 0.00 O ATOM 1544 CB ARG A 101 8.152 1.415 -0.479 1.00 0.00 C ATOM 1545 CG ARG A 101 6.719 1.442 -0.984 1.00 0.00 C ATOM 1546 CD ARG A 101 6.526 2.501 -2.059 1.00 0.00 C ATOM 1547 NE ARG A 101 6.630 3.854 -1.518 1.00 0.00 N ATOM 1548 CZ ARG A 101 5.616 4.498 -0.950 1.00 0.00 C ATOM 1549 NH1 ARG A 101 4.430 3.915 -0.847 1.00 0.00 N ATOM 1550 NH2 ARG A 101 5.789 5.727 -0.481 1.00 0.00 N ATOM 0 H ARG A 101 9.587 0.112 2.123 1.00 0.00 H new ATOM 0 HA ARG A 101 7.662 -0.059 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.329 2.298 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.830 1.477 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.455 0.463 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.043 1.639 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.273 2.365 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.549 2.371 -2.525 1.00 0.00 H new ATOM 0 HE ARG A 101 7.530 4.330 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.294 2.969 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.654 4.412 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.701 6.178 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.010 6.221 -0.045 1.00 0.00 H new ATOM 1564 N THR A 102 9.233 -2.111 -0.051 1.00 0.00 N ATOM 1565 CA THR A 102 9.482 -3.315 -0.834 1.00 0.00 C ATOM 1566 C THR A 102 8.876 -4.542 -0.163 1.00 0.00 C ATOM 1567 O THR A 102 8.706 -4.575 1.056 1.00 0.00 O ATOM 1568 CB THR A 102 10.991 -3.548 -1.040 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.595 -3.962 0.191 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.670 -2.284 -1.544 1.00 0.00 C ATOM 0 H THR A 102 9.505 -2.182 0.930 1.00 0.00 H new ATOM 0 HA THR A 102 9.009 -3.165 -1.805 1.00 0.00 H new ATOM 0 HB THR A 102 11.117 -4.331 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.386 -3.411 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.735 -2.473 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.228 -1.988 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.535 -1.484 -0.817 1.00 0.00 H new ATOM 1578 N LEU A 103 8.552 -5.550 -0.966 1.00 0.00 N ATOM 1579 CA LEU A 103 7.965 -6.781 -0.449 1.00 0.00 C ATOM 1580 C LEU A 103 8.637 -7.199 0.855 1.00 0.00 C ATOM 1581 O LEU A 103 7.966 -7.469 1.851 1.00 0.00 O ATOM 1582 CB LEU A 103 8.091 -7.902 -1.483 1.00 0.00 C ATOM 1583 CG LEU A 103 7.509 -9.257 -1.078 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.010 -9.146 -0.845 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.809 -10.305 -2.139 1.00 0.00 C ATOM 0 H LEU A 103 8.686 -5.539 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 103 6.910 -6.596 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.601 -7.579 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.147 -8.038 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 103 7.979 -9.568 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.613 -10.120 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.818 -8.427 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.523 -8.812 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.387 -11.263 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.367 -10.000 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.888 -10.405 -2.257 1.00 0.00 H new ATOM 1597 N ASP A 104 9.964 -7.249 0.841 1.00 0.00 N ATOM 1598 CA ASP A 104 10.727 -7.631 2.024 1.00 0.00 C ATOM 1599 C ASP A 104 10.682 -6.530 3.079 1.00 0.00 C ATOM 1600 O ASP A 104 10.685 -6.804 4.278 1.00 0.00 O ATOM 1601 CB ASP A 104 12.178 -7.932 1.645 1.00 0.00 C ATOM 1602 CG ASP A 104 12.361 -9.346 1.131 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.527 -9.794 0.316 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.338 -10.006 1.543 1.00 0.00 O ATOM 0 H ASP A 104 10.534 -7.030 0.024 1.00 0.00 H new ATOM 0 HA ASP A 104 10.275 -8.530 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.505 -7.226 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.817 -7.779 2.515 1.00 0.00 H new ATOM 1609 N GLY A 105 10.641 -5.281 2.623 1.00 0.00 N ATOM 1610 CA GLY A 105 10.597 -4.158 3.540 1.00 0.00 C ATOM 1611 C GLY A 105 9.319 -4.124 4.354 1.00 0.00 C ATOM 1612 O GLY A 105 9.334 -3.766 5.532 1.00 0.00 O ATOM 0 H GLY A 105 10.638 -5.028 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.452 -4.210 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.690 -3.229 2.977 1.00 0.00 H new ATOM 1616 N PHE A 106 8.208 -4.496 3.726 1.00 0.00 N ATOM 1617 CA PHE A 106 6.915 -4.504 4.399 1.00 0.00 C ATOM 1618 C PHE A 106 6.899 -5.523 5.535 1.00 0.00 C ATOM 1619 O PHE A 106 6.420 -5.240 6.633 1.00 0.00 O ATOM 1620 CB PHE A 106 5.799 -4.818 3.401 1.00 0.00 C ATOM 1621 CG PHE A 106 5.673 -3.802 2.302 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.740 -2.447 2.583 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.489 -4.202 0.988 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.624 -1.510 1.573 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.373 -3.270 -0.025 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.442 -1.922 0.268 1.00 0.00 C ATOM 0 H PHE A 106 8.178 -4.796 2.752 1.00 0.00 H new ATOM 0 HA PHE A 106 6.747 -3.513 4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.982 -5.798 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.852 -4.882 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.884 -2.119 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.436 -5.255 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.676 -0.456 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.229 -3.595 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.354 -1.191 -0.523 1.00 0.00 H new ATOM 1636 N LYS A 107 7.427 -6.712 5.262 1.00 0.00 N ATOM 1637 CA LYS A 107 7.475 -7.775 6.259 1.00 0.00 C ATOM 1638 C LYS A 107 8.131 -7.284 7.546 1.00 0.00 C ATOM 1639 O LYS A 107 7.662 -7.580 8.645 1.00 0.00 O ATOM 1640 CB LYS A 107 8.241 -8.981 5.711 1.00 0.00 C ATOM 1641 CG LYS A 107 7.685 -9.511 4.401 1.00 0.00 C ATOM 1642 CD LYS A 107 7.972 -10.994 4.233 1.00 0.00 C ATOM 1643 CE LYS A 107 7.896 -11.414 2.773 1.00 0.00 C ATOM 1644 NZ LYS A 107 7.850 -12.896 2.624 1.00 0.00 N ATOM 0 H LYS A 107 7.828 -6.963 4.358 1.00 0.00 H new ATOM 0 HA LYS A 107 6.452 -8.074 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.285 -8.703 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.224 -9.779 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.609 -9.341 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.122 -8.958 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.963 -11.221 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.256 -11.573 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.010 -10.975 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.760 -11.022 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.315 -13.142 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.818 -13.267 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.385 -13.314 3.455 1.00 0.00 H new ATOM 1658 N LYS A 108 9.216 -6.532 7.402 1.00 0.00 N ATOM 1659 CA LYS A 108 9.935 -5.997 8.552 1.00 0.00 C ATOM 1660 C LYS A 108 9.029 -5.102 9.391 1.00 0.00 C ATOM 1661 O LYS A 108 8.875 -5.311 10.595 1.00 0.00 O ATOM 1662 CB LYS A 108 11.163 -5.210 8.091 1.00 0.00 C ATOM 1663 CG LYS A 108 12.004 -5.942 7.059 1.00 0.00 C ATOM 1664 CD LYS A 108 13.403 -5.359 6.964 1.00 0.00 C ATOM 1665 CE LYS A 108 14.263 -5.776 8.148 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.459 -4.903 8.300 1.00 0.00 N ATOM 0 H LYS A 108 9.617 -6.279 6.499 1.00 0.00 H new ATOM 0 HA LYS A 108 10.260 -6.835 9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.837 -4.258 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.784 -4.982 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.066 -6.998 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.518 -5.884 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.873 -5.688 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.343 -4.271 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.668 -5.738 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.582 -6.810 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.019 -5.220 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.041 -4.958 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.154 -3.920 8.449 1.00 0.00 H new ATOM 1680 N PHE A 109 8.431 -4.104 8.749 1.00 0.00 N ATOM 1681 CA PHE A 109 7.540 -3.177 9.437 1.00 0.00 C ATOM 1682 C PHE A 109 6.435 -3.929 10.171 1.00 0.00 C ATOM 1683 O PHE A 109 6.143 -3.647 11.334 1.00 0.00 O ATOM 1684 CB PHE A 109 6.927 -2.191 8.439 1.00 0.00 C ATOM 1685 CG PHE A 109 6.101 -1.118 9.089 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.701 0.017 9.609 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.724 -1.244 9.178 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.943 1.006 10.208 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.961 -0.258 9.775 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.572 0.869 10.290 1.00 0.00 C ATOM 0 H PHE A 109 8.547 -3.916 7.753 1.00 0.00 H new ATOM 0 HA PHE A 109 8.127 -2.624 10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.726 -1.725 7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.304 -2.740 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.773 0.131 9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.241 -2.123 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.423 1.885 10.611 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.889 -0.369 9.839 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.978 1.641 10.756 1.00 0.00 H new ATOM 1700 N LEU A 110 5.822 -4.887 9.484 1.00 0.00 N ATOM 1701 CA LEU A 110 4.748 -5.681 10.070 1.00 0.00 C ATOM 1702 C LEU A 110 5.267 -6.535 11.222 1.00 0.00 C ATOM 1703 O LEU A 110 4.867 -6.353 12.371 1.00 0.00 O ATOM 1704 CB LEU A 110 4.108 -6.574 9.006 1.00 0.00 C ATOM 1705 CG LEU A 110 3.495 -5.854 7.805 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.338 -6.809 6.632 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.154 -5.240 8.179 1.00 0.00 C ATOM 0 H LEU A 110 6.050 -5.133 8.521 1.00 0.00 H new ATOM 0 HA LEU A 110 3.996 -4.996 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.864 -7.268 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.330 -7.171 9.482 1.00 0.00 H new ATOM 0 HG LEU A 110 4.169 -5.051 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.900 -6.278 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.315 -7.200 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.686 -7.634 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.732 -4.732 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.473 -6.025 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.295 -4.522 8.987 1.00 0.00 H new ATOM 1719 N GLU A 111 6.163 -7.465 10.906 1.00 0.00 N ATOM 1720 CA GLU A 111 6.738 -8.346 11.915 1.00 0.00 C ATOM 1721 C GLU A 111 6.951 -7.601 13.230 1.00 0.00 C ATOM 1722 O GLU A 111 6.737 -8.151 14.310 1.00 0.00 O ATOM 1723 CB GLU A 111 8.066 -8.924 11.423 1.00 0.00 C ATOM 1724 CG GLU A 111 7.903 -10.054 10.420 1.00 0.00 C ATOM 1725 CD GLU A 111 9.104 -10.979 10.384 1.00 0.00 C ATOM 1726 OE1 GLU A 111 10.195 -10.519 9.985 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.954 -12.162 10.754 1.00 0.00 O ATOM 0 H GLU A 111 6.506 -7.627 9.959 1.00 0.00 H new ATOM 0 HA GLU A 111 6.037 -9.163 12.089 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.653 -8.127 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.634 -9.288 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.012 -10.631 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.743 -9.633 9.427 1.00 0.00 H new ATOM 1734 N SER A 112 7.375 -6.345 13.129 1.00 0.00 N ATOM 1735 CA SER A 112 7.622 -5.524 14.309 1.00 0.00 C ATOM 1736 C SER A 112 6.315 -5.195 15.025 1.00 0.00 C ATOM 1737 O SER A 112 6.222 -5.296 16.247 1.00 0.00 O ATOM 1738 CB SER A 112 8.341 -4.232 13.916 1.00 0.00 C ATOM 1739 OG SER A 112 9.612 -4.507 13.354 1.00 0.00 O ATOM 0 H SER A 112 7.555 -5.874 12.242 1.00 0.00 H new ATOM 0 HA SER A 112 8.256 -6.091 14.990 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.735 -3.678 13.199 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.458 -3.596 14.793 1.00 0.00 H new ATOM 0 HG SER A 112 9.504 -4.776 12.418 1.00 0.00 H new ATOM 1745 N GLY A 113 5.307 -4.801 14.253 1.00 0.00 N ATOM 1746 CA GLY A 113 4.019 -4.463 14.829 1.00 0.00 C ATOM 1747 C GLY A 113 3.628 -3.022 14.568 1.00 0.00 C ATOM 1748 O GLY A 113 2.978 -2.387 15.399 1.00 0.00 O ATOM 0 H GLY A 113 5.360 -4.710 13.238 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.256 -5.124 14.418 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.048 -4.640 15.904 1.00 0.00 H new ATOM 1752 N GLY A 114 4.025 -2.502 13.411 1.00 0.00 N ATOM 1753 CA GLY A 114 3.704 -1.130 13.064 1.00 0.00 C ATOM 1754 C GLY A 114 4.637 -0.133 13.722 1.00 0.00 C ATOM 1755 O GLY A 114 4.199 0.912 14.202 1.00 0.00 O ATOM 0 H GLY A 114 4.564 -3.007 12.707 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.754 -1.011 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.678 -0.914 13.361 1.00 0.00 H new