USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 HIS : no HE2:sc= -3.12! C(o=-2.9!,f=-6.7!) USER MOD Set 1.2: A 82 TYR OH : rot 17:sc= 0.21 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.00679) USER MOD Single : A 2 SER OG : rot -53:sc= 1.06 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 110:sc= -1.34 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 42 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.245 F(o=-0.85,f=-0.24) USER MOD Single : A 57 ASN : amide:sc=-0.00414 X(o=-0.0041,f=-0.26) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.022 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 101:sc= -0.162 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 68 GLN : amide:sc=-0.000469 K(o=-0.00047,f=-1.2) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -153:sc= -1.06 (180deg=-2.39) USER MOD Single : A 72 TYR OH : rot 29:sc= -1.15 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 35:sc= 0.235 USER MOD Single : A 87 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.862 -11.673 10.264 1.00 0.00 N ATOM 2 CA GLY A 1 0.100 -12.750 10.954 1.00 0.00 C ATOM 3 C GLY A 1 0.966 -13.942 11.305 1.00 0.00 C ATOM 4 O GLY A 1 0.866 -14.489 12.404 1.00 0.00 O ATOM 0 H1 GLY A 1 0.236 -10.861 10.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.660 -11.375 10.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.223 -12.030 9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.346 -12.349 11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.720 -13.077 10.315 1.00 0.00 H new ATOM 10 N SER A 2 1.820 -14.347 10.369 1.00 0.00 N ATOM 11 CA SER A 2 2.708 -15.483 10.586 1.00 0.00 C ATOM 12 C SER A 2 1.910 -16.755 10.853 1.00 0.00 C ATOM 13 O SER A 2 2.355 -17.636 11.588 1.00 0.00 O ATOM 14 CB SER A 2 3.651 -15.203 11.757 1.00 0.00 C ATOM 15 OG SER A 2 4.548 -16.282 11.958 1.00 0.00 O ATOM 0 H SER A 2 1.915 -13.905 9.454 1.00 0.00 H new ATOM 0 HA SER A 2 3.297 -15.629 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.213 -14.289 11.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.070 -15.035 12.664 1.00 0.00 H new ATOM 0 HG SER A 2 4.042 -17.118 12.037 1.00 0.00 H new ATOM 21 N SER A 3 0.728 -16.844 10.251 1.00 0.00 N ATOM 22 CA SER A 3 -0.132 -18.008 10.423 1.00 0.00 C ATOM 23 C SER A 3 0.060 -19.002 9.282 1.00 0.00 C ATOM 24 O SER A 3 0.070 -20.214 9.497 1.00 0.00 O ATOM 25 CB SER A 3 -1.598 -17.578 10.499 1.00 0.00 C ATOM 26 OG SER A 3 -1.722 -16.278 11.050 1.00 0.00 O ATOM 0 H SER A 3 0.344 -16.123 9.640 1.00 0.00 H new ATOM 0 HA SER A 3 0.145 -18.498 11.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.038 -17.597 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.157 -18.289 11.107 1.00 0.00 H new ATOM 0 HG SER A 3 -2.669 -16.027 11.086 1.00 0.00 H new ATOM 32 N GLY A 4 0.213 -18.481 8.069 1.00 0.00 N ATOM 33 CA GLY A 4 0.404 -19.337 6.914 1.00 0.00 C ATOM 34 C GLY A 4 0.120 -18.620 5.608 1.00 0.00 C ATOM 35 O GLY A 4 1.028 -18.073 4.983 1.00 0.00 O ATOM 0 H GLY A 4 0.208 -17.481 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.429 -19.708 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.249 -20.206 6.997 1.00 0.00 H new ATOM 39 N SER A 5 -1.143 -18.624 5.194 1.00 0.00 N ATOM 40 CA SER A 5 -1.543 -17.971 3.954 1.00 0.00 C ATOM 41 C SER A 5 -2.987 -17.485 4.036 1.00 0.00 C ATOM 42 O SER A 5 -3.676 -17.716 5.029 1.00 0.00 O ATOM 43 CB SER A 5 -1.377 -18.930 2.772 1.00 0.00 C ATOM 44 OG SER A 5 -0.489 -18.398 1.805 1.00 0.00 O ATOM 0 H SER A 5 -1.907 -19.073 5.700 1.00 0.00 H new ATOM 0 HA SER A 5 -0.898 -17.106 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.000 -19.889 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.348 -19.119 2.314 1.00 0.00 H new ATOM 0 HG SER A 5 -0.399 -19.030 1.061 1.00 0.00 H new ATOM 50 N SER A 6 -3.439 -16.810 2.983 1.00 0.00 N ATOM 51 CA SER A 6 -4.801 -16.291 2.934 1.00 0.00 C ATOM 52 C SER A 6 -5.197 -15.942 1.504 1.00 0.00 C ATOM 53 O SER A 6 -6.298 -16.268 1.057 1.00 0.00 O ATOM 54 CB SER A 6 -4.931 -15.056 3.827 1.00 0.00 C ATOM 55 OG SER A 6 -4.357 -13.916 3.210 1.00 0.00 O ATOM 0 H SER A 6 -2.882 -16.610 2.153 1.00 0.00 H new ATOM 0 HA SER A 6 -5.473 -17.067 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.983 -14.867 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.441 -15.241 4.783 1.00 0.00 H new ATOM 0 HG SER A 6 -5.067 -13.293 2.949 1.00 0.00 H new ATOM 61 N GLY A 7 -4.294 -15.279 0.789 1.00 0.00 N ATOM 62 CA GLY A 7 -4.569 -14.897 -0.584 1.00 0.00 C ATOM 63 C GLY A 7 -4.283 -13.433 -0.849 1.00 0.00 C ATOM 64 O GLY A 7 -5.058 -12.755 -1.524 1.00 0.00 O ATOM 0 H GLY A 7 -3.376 -14.999 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.966 -15.509 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.614 -15.107 -0.813 1.00 0.00 H new ATOM 68 N VAL A 8 -3.168 -12.942 -0.318 1.00 0.00 N ATOM 69 CA VAL A 8 -2.783 -11.548 -0.502 1.00 0.00 C ATOM 70 C VAL A 8 -1.642 -11.421 -1.505 1.00 0.00 C ATOM 71 O VAL A 8 -1.623 -10.505 -2.328 1.00 0.00 O ATOM 72 CB VAL A 8 -2.354 -10.901 0.829 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.173 -9.401 0.659 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.369 -11.203 1.922 1.00 0.00 C ATOM 0 H VAL A 8 -2.515 -13.489 0.243 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.661 -11.027 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.396 -11.328 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.870 -8.961 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.405 -9.210 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.114 -8.955 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.049 -10.738 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.343 -10.806 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.443 -12.281 2.061 1.00 0.00 H new ATOM 84 N SER A 9 -0.690 -12.346 -1.431 1.00 0.00 N ATOM 85 CA SER A 9 0.456 -12.339 -2.333 1.00 0.00 C ATOM 86 C SER A 9 0.013 -12.554 -3.776 1.00 0.00 C ATOM 87 O SER A 9 0.628 -12.037 -4.708 1.00 0.00 O ATOM 88 CB SER A 9 1.457 -13.422 -1.927 1.00 0.00 C ATOM 89 OG SER A 9 2.042 -13.132 -0.670 1.00 0.00 O ATOM 0 H SER A 9 -0.690 -13.110 -0.755 1.00 0.00 H new ATOM 0 HA SER A 9 0.938 -11.364 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.954 -14.388 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.237 -13.503 -2.684 1.00 0.00 H new ATOM 0 HG SER A 9 2.676 -13.840 -0.433 1.00 0.00 H new ATOM 95 N GLN A 10 -1.057 -13.322 -3.955 1.00 0.00 N ATOM 96 CA GLN A 10 -1.582 -13.605 -5.285 1.00 0.00 C ATOM 97 C GLN A 10 -2.021 -12.321 -5.981 1.00 0.00 C ATOM 98 O GLN A 10 -1.949 -12.211 -7.205 1.00 0.00 O ATOM 99 CB GLN A 10 -2.757 -14.580 -5.196 1.00 0.00 C ATOM 100 CG GLN A 10 -2.334 -16.038 -5.139 1.00 0.00 C ATOM 101 CD GLN A 10 -3.513 -16.991 -5.196 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.642 -16.620 -4.870 1.00 0.00 O ATOM 103 NE2 GLN A 10 -3.257 -18.225 -5.612 1.00 0.00 N ATOM 0 H GLN A 10 -1.577 -13.760 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.786 -14.061 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.346 -14.346 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.407 -14.432 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.660 -16.250 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.773 -16.214 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.307 -18.489 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.011 -18.910 -5.672 1.00 0.00 H new ATOM 112 N ARG A 11 -2.477 -11.353 -5.193 1.00 0.00 N ATOM 113 CA ARG A 11 -2.927 -10.076 -5.735 1.00 0.00 C ATOM 114 C ARG A 11 -1.739 -9.212 -6.151 1.00 0.00 C ATOM 115 O ARG A 11 -0.621 -9.411 -5.676 1.00 0.00 O ATOM 116 CB ARG A 11 -3.775 -9.332 -4.703 1.00 0.00 C ATOM 117 CG ARG A 11 -4.853 -10.194 -4.064 1.00 0.00 C ATOM 118 CD ARG A 11 -6.009 -10.439 -5.019 1.00 0.00 C ATOM 119 NE ARG A 11 -7.113 -9.508 -4.793 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.358 -9.720 -5.211 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.664 -10.826 -5.879 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.302 -8.822 -4.961 1.00 0.00 N ATOM 0 H ARG A 11 -2.545 -11.428 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.534 -10.278 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.122 -8.943 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.245 -8.473 -5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.424 -11.148 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.222 -9.707 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.657 -10.342 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.367 -11.462 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.917 -8.645 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.942 -11.520 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.621 -10.982 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.073 -7.970 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.257 -8.983 -5.281 1.00 0.00 H new ATOM 136 N PRO A 12 -1.968 -8.236 -7.046 1.00 0.00 N ATOM 137 CA PRO A 12 -0.909 -7.339 -7.524 1.00 0.00 C ATOM 138 C PRO A 12 -0.128 -6.706 -6.378 1.00 0.00 C ATOM 139 O PRO A 12 -0.635 -6.578 -5.263 1.00 0.00 O ATOM 140 CB PRO A 12 -1.676 -6.269 -8.304 1.00 0.00 C ATOM 141 CG PRO A 12 -2.923 -6.950 -8.749 1.00 0.00 C ATOM 142 CD PRO A 12 -3.272 -7.929 -7.661 1.00 0.00 C ATOM 0 HA PRO A 12 -0.164 -7.867 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.898 -5.405 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.097 -5.907 -9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.728 -6.231 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.770 -7.461 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.965 -7.497 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.747 -8.824 -8.063 1.00 0.00 H new ATOM 150 N PHE A 13 1.110 -6.309 -6.658 1.00 0.00 N ATOM 151 CA PHE A 13 1.960 -5.689 -5.650 1.00 0.00 C ATOM 152 C PHE A 13 1.450 -4.297 -5.289 1.00 0.00 C ATOM 153 O PHE A 13 1.604 -3.843 -4.156 1.00 0.00 O ATOM 154 CB PHE A 13 3.403 -5.603 -6.150 1.00 0.00 C ATOM 155 CG PHE A 13 4.354 -5.024 -5.141 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.731 -5.756 -4.026 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.869 -3.750 -5.308 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.606 -5.226 -3.097 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.744 -3.214 -4.382 1.00 0.00 C ATOM 160 CZ PHE A 13 6.113 -3.953 -3.275 1.00 0.00 C ATOM 0 H PHE A 13 1.546 -6.406 -7.575 1.00 0.00 H new ATOM 0 HA PHE A 13 1.931 -6.310 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.743 -6.601 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.430 -4.995 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.337 -6.751 -3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.584 -3.168 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.893 -5.806 -2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.139 -2.219 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.797 -3.537 -2.550 1.00 0.00 H new ATOM 170 N ARG A 14 0.844 -3.625 -6.262 1.00 0.00 N ATOM 171 CA ARG A 14 0.312 -2.284 -6.048 1.00 0.00 C ATOM 172 C ARG A 14 -0.878 -2.317 -5.094 1.00 0.00 C ATOM 173 O ARG A 14 -1.027 -1.442 -4.241 1.00 0.00 O ATOM 174 CB ARG A 14 -0.100 -1.658 -7.382 1.00 0.00 C ATOM 175 CG ARG A 14 0.609 -0.344 -7.679 1.00 0.00 C ATOM 176 CD ARG A 14 1.478 -0.447 -8.921 1.00 0.00 C ATOM 177 NE ARG A 14 2.367 -1.605 -8.874 1.00 0.00 N ATOM 178 CZ ARG A 14 3.430 -1.758 -9.660 1.00 0.00 C ATOM 179 NH1 ARG A 14 3.740 -0.828 -10.555 1.00 0.00 N ATOM 180 NH2 ARG A 14 4.185 -2.842 -9.551 1.00 0.00 N ATOM 0 H ARG A 14 0.709 -3.987 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 14 1.096 -1.675 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.108 -2.364 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.177 -1.488 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.129 0.446 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.225 -0.061 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.842 -0.514 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.072 0.461 -9.024 1.00 0.00 H new ATOM 0 HE ARG A 14 2.161 -2.341 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.163 0.008 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.556 -0.950 -11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.951 -3.559 -8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.000 -2.959 -10.154 1.00 0.00 H new ATOM 194 N ASP A 15 -1.722 -3.333 -5.244 1.00 0.00 N ATOM 195 CA ASP A 15 -2.899 -3.481 -4.396 1.00 0.00 C ATOM 196 C ASP A 15 -2.498 -3.792 -2.957 1.00 0.00 C ATOM 197 O ASP A 15 -3.175 -3.389 -2.013 1.00 0.00 O ATOM 198 CB ASP A 15 -3.807 -4.587 -4.936 1.00 0.00 C ATOM 199 CG ASP A 15 -4.529 -4.175 -6.204 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.605 -3.551 -6.098 1.00 0.00 O ATOM 201 OD2 ASP A 15 -4.018 -4.476 -7.303 1.00 0.00 O ATOM 0 H ASP A 15 -1.613 -4.066 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.444 -2.537 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.211 -5.478 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.540 -4.856 -4.175 1.00 0.00 H new ATOM 206 N ARG A 16 -1.393 -4.515 -2.799 1.00 0.00 N ATOM 207 CA ARG A 16 -0.902 -4.882 -1.476 1.00 0.00 C ATOM 208 C ARG A 16 -0.459 -3.649 -0.697 1.00 0.00 C ATOM 209 O ARG A 16 -0.969 -3.371 0.389 1.00 0.00 O ATOM 210 CB ARG A 16 0.261 -5.868 -1.596 1.00 0.00 C ATOM 211 CG ARG A 16 -0.181 -7.315 -1.753 1.00 0.00 C ATOM 212 CD ARG A 16 0.748 -8.083 -2.680 1.00 0.00 C ATOM 213 NE ARG A 16 2.124 -8.096 -2.190 1.00 0.00 N ATOM 214 CZ ARG A 16 3.133 -8.683 -2.830 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.925 -9.304 -3.983 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.354 -8.646 -2.315 1.00 0.00 N ATOM 0 H ARG A 16 -0.821 -4.858 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.719 -5.358 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.875 -5.590 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.891 -5.783 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.203 -7.798 -0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.197 -7.346 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.391 -9.108 -2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.721 -7.634 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 16 2.323 -7.628 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.988 -9.334 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.702 -9.752 -4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.520 -8.168 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.128 -9.095 -2.805 1.00 0.00 H new ATOM 230 N VAL A 17 0.495 -2.912 -1.257 1.00 0.00 N ATOM 231 CA VAL A 17 1.007 -1.708 -0.614 1.00 0.00 C ATOM 232 C VAL A 17 -0.071 -0.633 -0.520 1.00 0.00 C ATOM 233 O VAL A 17 -0.096 0.153 0.427 1.00 0.00 O ATOM 234 CB VAL A 17 2.220 -1.138 -1.374 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.863 -0.009 -0.585 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.231 -2.237 -1.667 1.00 0.00 C ATOM 0 H VAL A 17 0.929 -3.128 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 17 1.319 -1.994 0.390 1.00 0.00 H new ATOM 0 HB VAL A 17 1.872 -0.733 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.718 0.381 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.136 0.788 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.197 -0.385 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.081 -1.816 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.575 -2.674 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.762 -3.009 -2.277 1.00 0.00 H new ATOM 246 N LEU A 18 -0.960 -0.605 -1.507 1.00 0.00 N ATOM 247 CA LEU A 18 -2.041 0.374 -1.535 1.00 0.00 C ATOM 248 C LEU A 18 -2.928 0.239 -0.302 1.00 0.00 C ATOM 249 O LEU A 18 -3.201 1.221 0.389 1.00 0.00 O ATOM 250 CB LEU A 18 -2.880 0.204 -2.803 1.00 0.00 C ATOM 251 CG LEU A 18 -4.079 1.147 -2.917 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.612 2.586 -3.069 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.963 0.746 -4.088 1.00 0.00 C ATOM 0 H LEU A 18 -0.954 -1.249 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.596 1.369 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.236 0.354 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.240 -0.824 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.666 1.071 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.478 3.243 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.020 2.870 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.003 2.678 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.811 1.428 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.387 0.793 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.326 -0.271 -3.938 1.00 0.00 H new ATOM 265 N HIS A 19 -3.378 -0.982 -0.034 1.00 0.00 N ATOM 266 CA HIS A 19 -4.236 -1.246 1.116 1.00 0.00 C ATOM 267 C HIS A 19 -3.530 -0.876 2.416 1.00 0.00 C ATOM 268 O HIS A 19 -4.169 -0.472 3.388 1.00 0.00 O ATOM 269 CB HIS A 19 -4.646 -2.718 1.145 1.00 0.00 C ATOM 270 CG HIS A 19 -5.831 -3.026 0.283 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.739 -3.496 -1.009 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.158 -2.923 0.550 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.984 -3.659 -1.476 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.883 -3.325 -0.569 1.00 0.00 N ATOM 0 H HIS A 19 -3.163 -1.805 -0.597 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.130 -0.630 1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.803 -3.328 0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.870 -3.004 2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.876 -3.686 -1.519 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.584 -2.583 1.482 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.221 -4.017 -2.467 1.00 0.00 H new ATOM 282 N LEU A 20 -2.209 -1.016 2.427 1.00 0.00 N ATOM 283 CA LEU A 20 -1.415 -0.696 3.608 1.00 0.00 C ATOM 284 C LEU A 20 -1.506 0.791 3.938 1.00 0.00 C ATOM 285 O LEU A 20 -1.806 1.169 5.070 1.00 0.00 O ATOM 286 CB LEU A 20 0.046 -1.095 3.389 1.00 0.00 C ATOM 287 CG LEU A 20 0.422 -2.487 3.904 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.312 -3.207 2.901 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.112 -2.387 5.255 1.00 0.00 C ATOM 0 H LEU A 20 -1.665 -1.349 1.631 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.816 -1.261 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.263 -1.048 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.685 -0.359 3.877 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.493 -3.066 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.568 -4.194 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.782 -3.312 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.224 -2.631 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.372 -3.386 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.018 -1.789 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.441 -1.914 5.972 1.00 0.00 H new ATOM 301 N LEU A 21 -1.245 1.630 2.940 1.00 0.00 N ATOM 302 CA LEU A 21 -1.297 3.076 3.124 1.00 0.00 C ATOM 303 C LEU A 21 -2.722 3.539 3.409 1.00 0.00 C ATOM 304 O LEU A 21 -2.934 4.542 4.089 1.00 0.00 O ATOM 305 CB LEU A 21 -0.755 3.788 1.882 1.00 0.00 C ATOM 306 CG LEU A 21 0.581 3.255 1.362 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.002 4.005 0.107 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.653 3.367 2.436 1.00 0.00 C ATOM 0 H LEU A 21 -0.996 1.333 1.996 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.675 3.330 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.495 3.710 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.642 4.848 2.110 1.00 0.00 H new ATOM 0 HG LEU A 21 0.457 2.202 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.955 3.613 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.244 3.875 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.109 5.065 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.597 2.983 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.775 4.412 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.356 2.786 3.309 1.00 0.00 H new ATOM 320 N ALA A 22 -3.697 2.803 2.883 1.00 0.00 N ATOM 321 CA ALA A 22 -5.101 3.139 3.080 1.00 0.00 C ATOM 322 C ALA A 22 -5.454 3.182 4.563 1.00 0.00 C ATOM 323 O ALA A 22 -6.089 4.127 5.033 1.00 0.00 O ATOM 324 CB ALA A 22 -5.990 2.140 2.354 1.00 0.00 C ATOM 0 H ALA A 22 -3.539 1.969 2.317 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.272 4.132 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.036 2.403 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.766 2.161 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.806 1.139 2.744 1.00 0.00 H new ATOM 330 N LEU A 23 -5.040 2.153 5.295 1.00 0.00 N ATOM 331 CA LEU A 23 -5.312 2.074 6.727 1.00 0.00 C ATOM 332 C LEU A 23 -4.696 3.258 7.464 1.00 0.00 C ATOM 333 O LEU A 23 -5.385 3.980 8.186 1.00 0.00 O ATOM 334 CB LEU A 23 -4.772 0.763 7.299 1.00 0.00 C ATOM 335 CG LEU A 23 -5.691 -0.448 7.123 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.048 -1.695 7.708 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.043 -0.188 7.771 1.00 0.00 C ATOM 0 H LEU A 23 -4.515 1.362 4.921 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.392 2.105 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.815 0.545 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.578 0.901 8.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.847 -0.611 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.716 -2.546 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.104 -1.891 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.862 -1.544 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.684 -1.059 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.906 0.001 8.836 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.509 0.681 7.305 1.00 0.00 H new ATOM 349 N ARG A 24 -3.394 3.452 7.278 1.00 0.00 N ATOM 350 CA ARG A 24 -2.685 4.549 7.927 1.00 0.00 C ATOM 351 C ARG A 24 -1.313 4.761 7.291 1.00 0.00 C ATOM 352 O ARG A 24 -0.785 3.872 6.622 1.00 0.00 O ATOM 353 CB ARG A 24 -2.528 4.270 9.422 1.00 0.00 C ATOM 354 CG ARG A 24 -1.987 2.884 9.731 1.00 0.00 C ATOM 355 CD ARG A 24 -2.620 2.303 10.984 1.00 0.00 C ATOM 356 NE ARG A 24 -2.294 3.084 12.176 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.091 3.100 12.745 1.00 0.00 C ATOM 358 NH1 ARG A 24 -0.098 2.381 12.236 1.00 0.00 N ATOM 359 NH2 ARG A 24 -0.879 3.838 13.826 1.00 0.00 N ATOM 0 H ARG A 24 -2.809 2.864 6.684 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.273 5.457 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.860 5.016 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.496 4.389 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.177 2.222 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.906 2.935 9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.702 2.266 10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.280 1.276 11.119 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.032 3.650 12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.255 1.812 11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.822 2.398 12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.638 4.393 14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.043 3.850 14.262 1.00 0.00 H new ATOM 373 N PRO A 25 -0.715 5.948 7.491 1.00 0.00 N ATOM 374 CA PRO A 25 0.601 6.273 6.933 1.00 0.00 C ATOM 375 C PRO A 25 1.650 5.219 7.271 1.00 0.00 C ATOM 376 O PRO A 25 1.834 4.864 8.435 1.00 0.00 O ATOM 377 CB PRO A 25 0.951 7.608 7.597 1.00 0.00 C ATOM 378 CG PRO A 25 -0.363 8.214 7.945 1.00 0.00 C ATOM 379 CD PRO A 25 -1.275 7.064 8.276 1.00 0.00 C ATOM 0 HA PRO A 25 0.581 6.316 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.566 7.459 8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.516 8.250 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.267 8.893 8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.757 8.797 7.112 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.274 6.845 9.344 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.307 7.275 7.995 1.00 0.00 H new ATOM 387 N TYR A 26 2.334 4.722 6.247 1.00 0.00 N ATOM 388 CA TYR A 26 3.365 3.707 6.435 1.00 0.00 C ATOM 389 C TYR A 26 4.700 4.174 5.863 1.00 0.00 C ATOM 390 O TYR A 26 4.836 4.364 4.655 1.00 0.00 O ATOM 391 CB TYR A 26 2.945 2.395 5.771 1.00 0.00 C ATOM 392 CG TYR A 26 2.147 1.485 6.678 1.00 0.00 C ATOM 393 CD1 TYR A 26 2.774 0.723 7.658 1.00 0.00 C ATOM 394 CD2 TYR A 26 0.767 1.386 6.556 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.049 -0.109 8.488 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.034 0.556 7.382 1.00 0.00 C ATOM 397 CZ TYR A 26 0.680 -0.189 8.346 1.00 0.00 C ATOM 398 OH TYR A 26 -0.045 -1.018 9.172 1.00 0.00 O ATOM 0 H TYR A 26 2.194 5.005 5.277 1.00 0.00 H new ATOM 0 HA TYR A 26 3.486 3.543 7.506 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.353 2.620 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.837 1.867 5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.846 0.783 7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.258 1.968 5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.552 -0.694 9.244 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.039 0.491 7.273 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.996 -0.958 8.943 1.00 0.00 H new ATOM 408 N ARG A 27 5.681 4.358 6.739 1.00 0.00 N ATOM 409 CA ARG A 27 7.006 4.802 6.321 1.00 0.00 C ATOM 410 C ARG A 27 7.645 3.791 5.374 1.00 0.00 C ATOM 411 O ARG A 27 7.088 2.723 5.124 1.00 0.00 O ATOM 412 CB ARG A 27 7.905 5.014 7.541 1.00 0.00 C ATOM 413 CG ARG A 27 7.233 5.788 8.665 1.00 0.00 C ATOM 414 CD ARG A 27 8.238 6.234 9.716 1.00 0.00 C ATOM 415 NE ARG A 27 7.861 5.789 11.056 1.00 0.00 N ATOM 416 CZ ARG A 27 8.051 4.552 11.507 1.00 0.00 C ATOM 417 NH1 ARG A 27 8.607 3.632 10.728 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.683 4.232 12.740 1.00 0.00 N ATOM 0 H ARG A 27 5.584 4.207 7.743 1.00 0.00 H new ATOM 0 HA ARG A 27 6.894 5.748 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.224 4.043 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.804 5.547 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.724 6.660 8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.470 5.165 9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.223 5.840 9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.317 7.321 9.704 1.00 0.00 H new ATOM 0 HE ARG A 27 7.427 6.467 11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.891 3.872 9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.750 2.685 11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.254 4.934 13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.829 3.284 13.086 1.00 0.00 H new ATOM 432 N LYS A 28 8.817 4.137 4.850 1.00 0.00 N ATOM 433 CA LYS A 28 9.531 3.259 3.929 1.00 0.00 C ATOM 434 C LYS A 28 10.040 2.015 4.649 1.00 0.00 C ATOM 435 O LYS A 28 9.937 0.901 4.133 1.00 0.00 O ATOM 436 CB LYS A 28 10.700 4.004 3.283 1.00 0.00 C ATOM 437 CG LYS A 28 10.308 4.798 2.046 1.00 0.00 C ATOM 438 CD LYS A 28 10.968 4.244 0.793 1.00 0.00 C ATOM 439 CE LYS A 28 12.452 4.577 0.746 1.00 0.00 C ATOM 440 NZ LYS A 28 13.293 3.351 0.658 1.00 0.00 N ATOM 0 H LYS A 28 9.292 5.018 5.047 1.00 0.00 H new ATOM 0 HA LYS A 28 8.835 2.947 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.137 4.682 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.473 3.285 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.225 4.776 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.594 5.842 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.836 3.162 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.475 4.652 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.653 5.218 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.726 5.142 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.297 3.620 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.120 2.751 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.050 2.825 -0.205 1.00 0.00 H new ATOM 454 N ALA A 29 10.593 2.211 5.841 1.00 0.00 N ATOM 455 CA ALA A 29 11.121 1.104 6.630 1.00 0.00 C ATOM 456 C ALA A 29 9.995 0.276 7.239 1.00 0.00 C ATOM 457 O ALA A 29 10.032 -0.954 7.212 1.00 0.00 O ATOM 458 CB ALA A 29 12.042 1.628 7.721 1.00 0.00 C ATOM 0 H ALA A 29 10.687 3.126 6.282 1.00 0.00 H new ATOM 0 HA ALA A 29 11.693 0.457 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.429 0.792 8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.872 2.170 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.486 2.299 8.376 1.00 0.00 H new ATOM 464 N GLU A 30 8.995 0.957 7.788 1.00 0.00 N ATOM 465 CA GLU A 30 7.858 0.282 8.404 1.00 0.00 C ATOM 466 C GLU A 30 7.078 -0.525 7.370 1.00 0.00 C ATOM 467 O GLU A 30 6.622 -1.634 7.647 1.00 0.00 O ATOM 468 CB GLU A 30 6.937 1.301 9.078 1.00 0.00 C ATOM 469 CG GLU A 30 6.531 0.912 10.490 1.00 0.00 C ATOM 470 CD GLU A 30 5.595 -0.280 10.520 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.794 -0.431 9.574 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.661 -1.061 11.492 1.00 0.00 O ATOM 0 H GLU A 30 8.948 1.975 7.819 1.00 0.00 H new ATOM 0 HA GLU A 30 8.240 -0.405 9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.438 2.269 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.040 1.424 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.424 0.682 11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.047 1.761 10.972 1.00 0.00 H new ATOM 479 N LEU A 31 6.928 0.041 6.177 1.00 0.00 N ATOM 480 CA LEU A 31 6.203 -0.626 5.100 1.00 0.00 C ATOM 481 C LEU A 31 7.038 -1.751 4.497 1.00 0.00 C ATOM 482 O LEU A 31 6.499 -2.745 4.012 1.00 0.00 O ATOM 483 CB LEU A 31 5.823 0.381 4.013 1.00 0.00 C ATOM 484 CG LEU A 31 4.739 -0.091 3.043 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.508 -0.558 3.804 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.376 1.020 2.070 1.00 0.00 C ATOM 0 H LEU A 31 7.298 0.959 5.931 1.00 0.00 H new ATOM 0 HA LEU A 31 5.294 -1.057 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.485 1.300 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.717 0.630 3.441 1.00 0.00 H new ATOM 0 HG LEU A 31 5.130 -0.934 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.748 -0.890 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.778 -1.385 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.115 0.265 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.603 0.667 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.005 1.882 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.260 1.308 1.501 1.00 0.00 H new ATOM 498 N LEU A 32 8.357 -1.588 4.531 1.00 0.00 N ATOM 499 CA LEU A 32 9.266 -2.591 3.986 1.00 0.00 C ATOM 500 C LEU A 32 9.236 -3.865 4.825 1.00 0.00 C ATOM 501 O LEU A 32 9.309 -4.972 4.292 1.00 0.00 O ATOM 502 CB LEU A 32 10.691 -2.039 3.926 1.00 0.00 C ATOM 503 CG LEU A 32 11.019 -1.230 2.671 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.259 -0.377 2.894 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.212 -2.153 1.478 1.00 0.00 C ATOM 0 H LEU A 32 8.820 -0.771 4.930 1.00 0.00 H new ATOM 0 HA LEU A 32 8.936 -2.835 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.857 -1.409 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.390 -2.872 3.996 1.00 0.00 H new ATOM 0 HG LEU A 32 10.180 -0.566 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.477 0.192 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.084 0.310 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.106 -1.021 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.445 -1.560 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.033 -2.842 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.297 -2.720 1.305 1.00 0.00 H new ATOM 517 N LEU A 33 9.130 -3.701 6.140 1.00 0.00 N ATOM 518 CA LEU A 33 9.093 -4.838 7.052 1.00 0.00 C ATOM 519 C LEU A 33 7.748 -5.555 6.975 1.00 0.00 C ATOM 520 O LEU A 33 7.685 -6.782 7.029 1.00 0.00 O ATOM 521 CB LEU A 33 9.357 -4.377 8.487 1.00 0.00 C ATOM 522 CG LEU A 33 10.819 -4.066 8.809 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.917 -3.162 10.027 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.600 -5.353 9.034 1.00 0.00 C ATOM 0 H LEU A 33 9.068 -2.791 6.597 1.00 0.00 H new ATOM 0 HA LEU A 33 9.874 -5.537 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.761 -3.486 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.007 -5.150 9.171 1.00 0.00 H new ATOM 0 HG LEU A 33 11.255 -3.543 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.965 -2.952 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.392 -2.227 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.464 -3.658 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.639 -5.113 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.163 -5.903 9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.558 -5.966 8.134 1.00 0.00 H new ATOM 536 N ARG A 34 6.675 -4.780 6.851 1.00 0.00 N ATOM 537 CA ARG A 34 5.332 -5.343 6.768 1.00 0.00 C ATOM 538 C ARG A 34 5.206 -6.275 5.568 1.00 0.00 C ATOM 539 O ARG A 34 4.797 -7.428 5.705 1.00 0.00 O ATOM 540 CB ARG A 34 4.292 -4.224 6.674 1.00 0.00 C ATOM 541 CG ARG A 34 3.077 -4.447 7.561 1.00 0.00 C ATOM 542 CD ARG A 34 2.276 -5.662 7.117 1.00 0.00 C ATOM 543 NE ARG A 34 1.011 -5.285 6.490 1.00 0.00 N ATOM 544 CZ ARG A 34 0.313 -6.085 5.688 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.750 -7.309 5.413 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.827 -5.662 5.159 1.00 0.00 N ATOM 0 H ARG A 34 6.709 -3.762 6.806 1.00 0.00 H new ATOM 0 HA ARG A 34 5.151 -5.922 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.762 -3.279 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.964 -4.130 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.399 -4.580 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.441 -3.562 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.868 -6.249 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.078 -6.300 7.978 1.00 0.00 H new ATOM 0 HE ARG A 34 0.641 -4.353 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.626 -7.641 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.210 -7.917 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.169 -4.724 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.362 -6.275 4.544 1.00 0.00 H new ATOM 560 N LEU A 35 5.558 -5.768 4.390 1.00 0.00 N ATOM 561 CA LEU A 35 5.483 -6.556 3.166 1.00 0.00 C ATOM 562 C LEU A 35 6.346 -7.811 3.270 1.00 0.00 C ATOM 563 O LEU A 35 6.035 -8.841 2.672 1.00 0.00 O ATOM 564 CB LEU A 35 5.927 -5.717 1.966 1.00 0.00 C ATOM 565 CG LEU A 35 4.840 -4.826 1.363 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.446 -3.839 0.378 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.774 -5.672 0.685 1.00 0.00 C ATOM 0 H LEU A 35 5.898 -4.815 4.258 1.00 0.00 H new ATOM 0 HA LEU A 35 4.446 -6.861 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.763 -5.088 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.298 -6.387 1.191 1.00 0.00 H new ATOM 0 HG LEU A 35 4.370 -4.262 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.658 -3.213 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.173 -3.211 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.942 -4.384 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.008 -5.022 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.229 -6.262 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.319 -6.339 1.417 1.00 0.00 H new ATOM 579 N GLN A 36 7.430 -7.715 4.033 1.00 0.00 N ATOM 580 CA GLN A 36 8.338 -8.842 4.217 1.00 0.00 C ATOM 581 C GLN A 36 7.611 -10.035 4.830 1.00 0.00 C ATOM 582 O GLN A 36 7.974 -11.186 4.590 1.00 0.00 O ATOM 583 CB GLN A 36 9.517 -8.433 5.104 1.00 0.00 C ATOM 584 CG GLN A 36 10.807 -8.204 4.332 1.00 0.00 C ATOM 585 CD GLN A 36 11.922 -7.666 5.208 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.920 -7.861 6.423 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.883 -6.987 4.592 1.00 0.00 N ATOM 0 H GLN A 36 7.701 -6.869 4.534 1.00 0.00 H new ATOM 0 HA GLN A 36 8.715 -9.137 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.258 -7.521 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.684 -9.207 5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.126 -9.142 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.620 -7.504 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.844 -6.850 3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.661 -6.603 5.129 1.00 0.00 H new ATOM 596 N LYS A 37 6.581 -9.753 5.622 1.00 0.00 N ATOM 597 CA LYS A 37 5.803 -10.804 6.269 1.00 0.00 C ATOM 598 C LYS A 37 5.184 -11.739 5.236 1.00 0.00 C ATOM 599 O LYS A 37 5.197 -12.959 5.401 1.00 0.00 O ATOM 600 CB LYS A 37 4.706 -10.191 7.141 1.00 0.00 C ATOM 601 CG LYS A 37 5.221 -9.154 8.127 1.00 0.00 C ATOM 602 CD LYS A 37 4.724 -9.427 9.538 1.00 0.00 C ATOM 603 CE LYS A 37 5.487 -10.572 10.185 1.00 0.00 C ATOM 604 NZ LYS A 37 5.562 -10.423 11.665 1.00 0.00 N ATOM 0 H LYS A 37 6.266 -8.806 5.831 1.00 0.00 H new ATOM 0 HA LYS A 37 6.477 -11.384 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.958 -9.728 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.204 -10.987 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.311 -9.153 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.899 -8.161 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.833 -8.527 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.661 -9.666 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.001 -11.516 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.495 -10.615 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.090 -11.223 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.048 -9.534 11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.601 -10.407 12.062 1.00 0.00 H new ATOM 618 N ASP A 38 4.644 -11.160 4.168 1.00 0.00 N ATOM 619 CA ASP A 38 4.019 -11.943 3.108 1.00 0.00 C ATOM 620 C ASP A 38 5.069 -12.477 2.138 1.00 0.00 C ATOM 621 O ASP A 38 4.922 -13.569 1.588 1.00 0.00 O ATOM 622 CB ASP A 38 2.995 -11.093 2.353 1.00 0.00 C ATOM 623 CG ASP A 38 1.576 -11.349 2.820 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.404 -11.857 3.948 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.635 -11.043 2.057 1.00 0.00 O ATOM 0 H ASP A 38 4.627 -10.152 4.014 1.00 0.00 H new ATOM 0 HA ASP A 38 3.509 -12.790 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.234 -10.038 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.067 -11.304 1.286 1.00 0.00 H new ATOM 630 N GLY A 39 6.128 -11.701 1.932 1.00 0.00 N ATOM 631 CA GLY A 39 7.186 -12.113 1.029 1.00 0.00 C ATOM 632 C GLY A 39 7.686 -10.974 0.162 1.00 0.00 C ATOM 633 O GLY A 39 7.277 -10.839 -0.993 1.00 0.00 O ATOM 0 H GLY A 39 6.272 -10.794 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.017 -12.516 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.822 -12.918 0.391 1.00 0.00 H new ATOM 637 N LEU A 40 8.570 -10.153 0.718 1.00 0.00 N ATOM 638 CA LEU A 40 9.127 -9.020 -0.012 1.00 0.00 C ATOM 639 C LEU A 40 10.556 -9.308 -0.457 1.00 0.00 C ATOM 640 O LEU A 40 11.460 -9.435 0.369 1.00 0.00 O ATOM 641 CB LEU A 40 9.093 -7.762 0.858 1.00 0.00 C ATOM 642 CG LEU A 40 9.445 -6.463 0.129 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.282 -6.007 -0.738 1.00 0.00 C ATOM 644 CD2 LEU A 40 9.825 -5.380 1.127 1.00 0.00 C ATOM 0 H LEU A 40 8.916 -10.251 1.672 1.00 0.00 H new ATOM 0 HA LEU A 40 8.517 -8.856 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.096 -7.662 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.786 -7.894 1.689 1.00 0.00 H new ATOM 0 HG LEU A 40 10.302 -6.651 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.550 -5.082 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.055 -6.776 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.407 -5.835 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.072 -4.463 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.987 -5.194 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.689 -5.706 1.707 1.00 0.00 H new ATOM 656 N THR A 41 10.754 -9.409 -1.767 1.00 0.00 N ATOM 657 CA THR A 41 12.075 -9.683 -2.321 1.00 0.00 C ATOM 658 C THR A 41 12.801 -8.385 -2.662 1.00 0.00 C ATOM 659 O THR A 41 12.276 -7.293 -2.442 1.00 0.00 O ATOM 660 CB THR A 41 11.955 -10.557 -3.570 1.00 0.00 C ATOM 661 OG1 THR A 41 13.234 -10.836 -4.111 1.00 0.00 O ATOM 662 CG2 THR A 41 11.122 -9.926 -4.666 1.00 0.00 C ATOM 0 H THR A 41 10.017 -9.305 -2.465 1.00 0.00 H new ATOM 0 HA THR A 41 12.655 -10.216 -1.568 1.00 0.00 H new ATOM 0 HB THR A 41 11.458 -11.468 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.137 -11.398 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.078 -10.599 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.113 -9.743 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.575 -8.982 -4.969 1.00 0.00 H new ATOM 670 N GLN A 42 14.009 -8.513 -3.200 1.00 0.00 N ATOM 671 CA GLN A 42 14.807 -7.349 -3.572 1.00 0.00 C ATOM 672 C GLN A 42 14.122 -6.548 -4.674 1.00 0.00 C ATOM 673 O GLN A 42 14.185 -5.319 -4.691 1.00 0.00 O ATOM 674 CB GLN A 42 16.199 -7.787 -4.033 1.00 0.00 C ATOM 675 CG GLN A 42 17.306 -6.831 -3.617 1.00 0.00 C ATOM 676 CD GLN A 42 17.458 -5.664 -4.575 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.124 -5.774 -5.604 1.00 0.00 O ATOM 678 NE2 GLN A 42 16.838 -4.539 -4.238 1.00 0.00 N ATOM 0 H GLN A 42 14.457 -9.410 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 42 14.906 -6.711 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.413 -8.776 -3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.200 -7.881 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.096 -6.451 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.249 -7.375 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.297 -4.494 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.903 -3.720 -4.842 1.00 0.00 H new ATOM 687 N ALA A 43 13.469 -7.252 -5.592 1.00 0.00 N ATOM 688 CA ALA A 43 12.772 -6.606 -6.698 1.00 0.00 C ATOM 689 C ALA A 43 11.637 -5.723 -6.190 1.00 0.00 C ATOM 690 O ALA A 43 11.354 -4.669 -6.761 1.00 0.00 O ATOM 691 CB ALA A 43 12.239 -7.649 -7.667 1.00 0.00 C ATOM 0 H ALA A 43 13.408 -8.270 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 43 13.485 -5.970 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.721 -7.152 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.068 -8.235 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.545 -8.309 -7.146 1.00 0.00 H new ATOM 697 N ASP A 44 10.989 -6.160 -5.116 1.00 0.00 N ATOM 698 CA ASP A 44 9.884 -5.409 -4.532 1.00 0.00 C ATOM 699 C ASP A 44 10.397 -4.348 -3.563 1.00 0.00 C ATOM 700 O ASP A 44 9.786 -3.292 -3.403 1.00 0.00 O ATOM 701 CB ASP A 44 8.924 -6.355 -3.807 1.00 0.00 C ATOM 702 CG ASP A 44 8.291 -7.365 -4.744 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.884 -6.969 -5.856 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.202 -8.552 -4.365 1.00 0.00 O ATOM 0 H ASP A 44 11.210 -7.030 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 44 9.351 -4.909 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.463 -6.882 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.141 -5.772 -3.322 1.00 0.00 H new ATOM 709 N LYS A 45 11.524 -4.637 -2.920 1.00 0.00 N ATOM 710 CA LYS A 45 12.120 -3.707 -1.966 1.00 0.00 C ATOM 711 C LYS A 45 12.465 -2.383 -2.639 1.00 0.00 C ATOM 712 O LYS A 45 12.300 -1.314 -2.051 1.00 0.00 O ATOM 713 CB LYS A 45 13.375 -4.322 -1.341 1.00 0.00 C ATOM 714 CG LYS A 45 13.130 -4.948 0.022 1.00 0.00 C ATOM 715 CD LYS A 45 14.418 -5.058 0.823 1.00 0.00 C ATOM 716 CE LYS A 45 15.023 -3.690 1.095 1.00 0.00 C ATOM 717 NZ LYS A 45 15.595 -3.599 2.468 1.00 0.00 N ATOM 0 H LYS A 45 12.043 -5.507 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 45 11.390 -3.512 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.772 -5.082 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.139 -3.550 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.407 -4.348 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.693 -5.938 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.218 -5.563 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.135 -5.672 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.804 -3.486 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.259 -2.923 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.998 -2.651 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.845 -3.769 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.342 -4.314 2.581 1.00 0.00 H new ATOM 731 N ASP A 46 12.948 -2.460 -3.876 1.00 0.00 N ATOM 732 CA ASP A 46 13.317 -1.267 -4.628 1.00 0.00 C ATOM 733 C ASP A 46 12.096 -0.644 -5.296 1.00 0.00 C ATOM 734 O ASP A 46 11.975 0.579 -5.377 1.00 0.00 O ATOM 735 CB ASP A 46 14.371 -1.608 -5.682 1.00 0.00 C ATOM 736 CG ASP A 46 15.408 -0.512 -5.838 1.00 0.00 C ATOM 737 OD1 ASP A 46 16.239 -0.346 -4.920 1.00 0.00 O ATOM 738 OD2 ASP A 46 15.391 0.177 -6.879 1.00 0.00 O ATOM 0 H ASP A 46 13.093 -3.336 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 46 13.734 -0.543 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.868 -2.538 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.881 -1.780 -6.640 1.00 0.00 H new ATOM 743 N ALA A 47 11.191 -1.493 -5.772 1.00 0.00 N ATOM 744 CA ALA A 47 9.978 -1.026 -6.433 1.00 0.00 C ATOM 745 C ALA A 47 9.091 -0.243 -5.470 1.00 0.00 C ATOM 746 O ALA A 47 8.320 0.622 -5.886 1.00 0.00 O ATOM 747 CB ALA A 47 9.212 -2.202 -7.021 1.00 0.00 C ATOM 0 H ALA A 47 11.275 -2.508 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 47 10.271 -0.355 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.309 -1.839 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.839 -2.717 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.939 -2.894 -6.224 1.00 0.00 H new ATOM 753 N LEU A 48 9.207 -0.552 -4.181 1.00 0.00 N ATOM 754 CA LEU A 48 8.414 0.122 -3.159 1.00 0.00 C ATOM 755 C LEU A 48 8.632 1.633 -3.202 1.00 0.00 C ATOM 756 O LEU A 48 7.680 2.409 -3.127 1.00 0.00 O ATOM 757 CB LEU A 48 8.773 -0.414 -1.772 1.00 0.00 C ATOM 758 CG LEU A 48 7.803 -0.025 -0.655 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.495 -0.789 -0.795 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.430 -0.283 0.707 1.00 0.00 C ATOM 0 H LEU A 48 9.842 -1.264 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 48 7.362 -0.080 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.827 -1.501 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.769 -0.057 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 48 7.589 1.040 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.817 -0.500 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.039 -0.556 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.691 -1.860 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.727 -0.001 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.673 -1.341 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.340 0.308 0.806 1.00 0.00 H new ATOM 772 N ASP A 49 9.890 2.042 -3.325 1.00 0.00 N ATOM 773 CA ASP A 49 10.232 3.459 -3.378 1.00 0.00 C ATOM 774 C ASP A 49 9.527 4.147 -4.541 1.00 0.00 C ATOM 775 O ASP A 49 8.896 5.190 -4.369 1.00 0.00 O ATOM 776 CB ASP A 49 11.746 3.635 -3.508 1.00 0.00 C ATOM 777 CG ASP A 49 12.224 4.960 -2.946 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.438 5.931 -2.962 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.384 5.026 -2.488 1.00 0.00 O ATOM 0 H ASP A 49 10.690 1.412 -3.390 1.00 0.00 H new ATOM 0 HA ASP A 49 9.897 3.922 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.250 2.820 -2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.028 3.566 -4.559 1.00 0.00 H new ATOM 784 N GLY A 50 9.636 3.556 -5.727 1.00 0.00 N ATOM 785 CA GLY A 50 9.004 4.126 -6.901 1.00 0.00 C ATOM 786 C GLY A 50 7.490 4.043 -6.843 1.00 0.00 C ATOM 787 O GLY A 50 6.794 4.857 -7.450 1.00 0.00 O ATOM 0 H GLY A 50 10.151 2.692 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.304 5.169 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.360 3.605 -7.790 1.00 0.00 H new ATOM 791 N LEU A 51 6.981 3.056 -6.113 1.00 0.00 N ATOM 792 CA LEU A 51 5.541 2.869 -5.978 1.00 0.00 C ATOM 793 C LEU A 51 4.943 3.894 -5.020 1.00 0.00 C ATOM 794 O LEU A 51 3.968 4.569 -5.348 1.00 0.00 O ATOM 795 CB LEU A 51 5.235 1.454 -5.484 1.00 0.00 C ATOM 796 CG LEU A 51 3.843 0.927 -5.849 1.00 0.00 C ATOM 797 CD1 LEU A 51 3.942 -0.155 -6.914 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.130 0.396 -4.613 1.00 0.00 C ATOM 0 H LEU A 51 7.544 2.373 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 51 5.089 3.012 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.983 0.774 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.342 1.433 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 51 3.260 1.754 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.943 -0.516 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.409 0.257 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.545 -0.982 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.143 0.026 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.712 -0.417 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.023 1.197 -3.882 1.00 0.00 H new ATOM 810 N LEU A 52 5.533 4.003 -3.834 1.00 0.00 N ATOM 811 CA LEU A 52 5.057 4.945 -2.828 1.00 0.00 C ATOM 812 C LEU A 52 5.119 6.378 -3.347 1.00 0.00 C ATOM 813 O LEU A 52 4.286 7.211 -2.996 1.00 0.00 O ATOM 814 CB LEU A 52 5.886 4.817 -1.549 1.00 0.00 C ATOM 815 CG LEU A 52 5.575 3.586 -0.695 1.00 0.00 C ATOM 816 CD1 LEU A 52 6.772 3.219 0.167 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.348 3.834 0.169 1.00 0.00 C ATOM 0 H LEU A 52 6.341 3.451 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 52 4.017 4.705 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.942 4.795 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.731 5.709 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 52 5.363 2.749 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.533 2.341 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.627 2.999 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.016 4.053 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.141 2.948 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.532 4.684 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.491 4.048 -0.469 1.00 0.00 H new ATOM 829 N GLN A 53 6.112 6.657 -4.184 1.00 0.00 N ATOM 830 CA GLN A 53 6.282 7.990 -4.751 1.00 0.00 C ATOM 831 C GLN A 53 5.180 8.301 -5.761 1.00 0.00 C ATOM 832 O GLN A 53 4.854 9.464 -5.999 1.00 0.00 O ATOM 833 CB GLN A 53 7.651 8.111 -5.421 1.00 0.00 C ATOM 834 CG GLN A 53 8.783 8.387 -4.444 1.00 0.00 C ATOM 835 CD GLN A 53 9.263 9.824 -4.498 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.045 10.197 -5.371 1.00 0.00 O ATOM 837 NE2 GLN A 53 8.796 10.640 -3.559 1.00 0.00 N ATOM 0 H GLN A 53 6.811 5.978 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 53 6.217 8.712 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.865 7.189 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.616 8.912 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.449 8.157 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.617 7.721 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.149 10.288 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.085 11.618 -3.544 1.00 0.00 H new ATOM 846 N GLN A 54 4.610 7.255 -6.354 1.00 0.00 N ATOM 847 CA GLN A 54 3.547 7.423 -7.338 1.00 0.00 C ATOM 848 C GLN A 54 2.173 7.287 -6.689 1.00 0.00 C ATOM 849 O GLN A 54 1.304 8.140 -6.869 1.00 0.00 O ATOM 850 CB GLN A 54 3.698 6.393 -8.460 1.00 0.00 C ATOM 851 CG GLN A 54 4.434 6.926 -9.679 1.00 0.00 C ATOM 852 CD GLN A 54 3.630 7.963 -10.438 1.00 0.00 C ATOM 853 OE1 GLN A 54 3.782 9.225 -10.054 1.00 0.00 O flip ATOM 854 NE2 GLN A 54 2.882 7.634 -11.359 1.00 0.00 N flip ATOM 0 H GLN A 54 4.866 6.285 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 54 3.630 8.426 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.231 5.524 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.709 6.051 -8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.381 7.365 -9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.673 6.097 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.796 6.652 -11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.348 8.344 -11.861 1.00 0.00 H new ATOM 863 N VAL A 55 1.982 6.209 -5.935 1.00 0.00 N ATOM 864 CA VAL A 55 0.712 5.962 -5.263 1.00 0.00 C ATOM 865 C VAL A 55 0.756 6.422 -3.810 1.00 0.00 C ATOM 866 O VAL A 55 0.083 5.855 -2.949 1.00 0.00 O ATOM 867 CB VAL A 55 0.337 4.468 -5.303 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.083 4.019 -6.734 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.427 3.626 -4.657 1.00 0.00 C ATOM 0 H VAL A 55 2.691 5.493 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.044 6.536 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.582 4.328 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.180 2.961 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.736 4.600 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.983 4.173 -7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.144 2.574 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.364 3.769 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.554 3.930 -3.618 1.00 0.00 H new ATOM 879 N ALA A 56 1.550 7.454 -3.543 1.00 0.00 N ATOM 880 CA ALA A 56 1.678 7.990 -2.192 1.00 0.00 C ATOM 881 C ALA A 56 2.592 9.210 -2.169 1.00 0.00 C ATOM 882 O ALA A 56 3.296 9.490 -3.140 1.00 0.00 O ATOM 883 CB ALA A 56 2.200 6.919 -1.245 1.00 0.00 C ATOM 0 H ALA A 56 2.114 7.936 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 56 0.689 8.303 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.290 7.334 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.507 6.078 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.177 6.577 -1.586 1.00 0.00 H new ATOM 889 N ASN A 57 2.576 9.934 -1.054 1.00 0.00 N ATOM 890 CA ASN A 57 3.403 11.125 -0.903 1.00 0.00 C ATOM 891 C ASN A 57 4.431 10.934 0.208 1.00 0.00 C ATOM 892 O ASN A 57 4.512 9.866 0.815 1.00 0.00 O ATOM 893 CB ASN A 57 2.531 12.344 -0.603 1.00 0.00 C ATOM 894 CG ASN A 57 1.977 12.983 -1.862 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.716 13.273 -2.801 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.668 13.206 -1.885 1.00 0.00 N ATOM 0 H ASN A 57 1.999 9.716 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 57 3.933 11.290 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.705 12.046 0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.117 13.080 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.238 13.634 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.093 12.949 -1.083 1.00 0.00 H new ATOM 903 N MET A 58 5.212 11.976 0.471 1.00 0.00 N ATOM 904 CA MET A 58 6.234 11.922 1.510 1.00 0.00 C ATOM 905 C MET A 58 6.227 13.197 2.347 1.00 0.00 C ATOM 906 O MET A 58 5.840 14.263 1.869 1.00 0.00 O ATOM 907 CB MET A 58 7.615 11.715 0.886 1.00 0.00 C ATOM 908 CG MET A 58 8.543 10.858 1.733 1.00 0.00 C ATOM 909 SD MET A 58 10.149 10.597 0.957 1.00 0.00 S ATOM 910 CE MET A 58 9.944 8.942 0.305 1.00 0.00 C ATOM 0 H MET A 58 5.157 12.868 -0.021 1.00 0.00 H new ATOM 0 HA MET A 58 6.008 11.079 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.496 11.250 -0.093 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.080 12.687 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.686 11.334 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.072 9.893 1.918 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.857 8.637 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.738 8.252 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.112 8.929 -0.399 1.00 0.00 H new ATOM 920 N SER A 59 6.656 13.078 3.599 1.00 0.00 N ATOM 921 CA SER A 59 6.699 14.221 4.504 1.00 0.00 C ATOM 922 C SER A 59 8.119 14.765 4.625 1.00 0.00 C ATOM 923 O SER A 59 9.082 14.114 4.219 1.00 0.00 O ATOM 924 CB SER A 59 6.173 13.825 5.885 1.00 0.00 C ATOM 925 OG SER A 59 5.981 14.966 6.704 1.00 0.00 O ATOM 0 H SER A 59 6.979 12.202 4.010 1.00 0.00 H new ATOM 0 HA SER A 59 6.063 15.004 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.231 13.287 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.876 13.144 6.364 1.00 0.00 H new ATOM 0 HG SER A 59 5.643 14.686 7.580 1.00 0.00 H new ATOM 931 N ALA A 60 8.241 15.965 5.186 1.00 0.00 N ATOM 932 CA ALA A 60 9.542 16.597 5.362 1.00 0.00 C ATOM 933 C ALA A 60 9.866 16.787 6.840 1.00 0.00 C ATOM 934 O ALA A 60 10.389 17.825 7.245 1.00 0.00 O ATOM 935 CB ALA A 60 9.581 17.933 4.635 1.00 0.00 C ATOM 0 H ALA A 60 7.454 16.518 5.526 1.00 0.00 H new ATOM 0 HA ALA A 60 10.299 15.940 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.558 18.395 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.403 17.774 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.809 18.589 5.038 1.00 0.00 H new ATOM 941 N LYS A 61 9.552 15.775 7.642 1.00 0.00 N ATOM 942 CA LYS A 61 9.808 15.828 9.076 1.00 0.00 C ATOM 943 C LYS A 61 10.134 14.441 9.622 1.00 0.00 C ATOM 944 O LYS A 61 11.142 14.252 10.303 1.00 0.00 O ATOM 945 CB LYS A 61 8.597 16.406 9.811 1.00 0.00 C ATOM 946 CG LYS A 61 8.655 17.916 9.985 1.00 0.00 C ATOM 947 CD LYS A 61 8.068 18.345 11.320 1.00 0.00 C ATOM 948 CE LYS A 61 7.956 19.858 11.419 1.00 0.00 C ATOM 949 NZ LYS A 61 8.459 20.368 12.726 1.00 0.00 N ATOM 0 H LYS A 61 9.120 14.908 7.323 1.00 0.00 H new ATOM 0 HA LYS A 61 10.668 16.476 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.692 16.146 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.521 15.938 10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.690 18.252 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.109 18.398 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.082 17.897 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.694 17.972 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.521 20.318 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.915 20.154 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.365 21.403 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.903 19.949 13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.460 20.108 12.838 1.00 0.00 H new ATOM 963 N ASP A 62 9.274 13.475 9.318 1.00 0.00 N ATOM 964 CA ASP A 62 9.470 12.106 9.777 1.00 0.00 C ATOM 965 C ASP A 62 9.875 11.196 8.622 1.00 0.00 C ATOM 966 O ASP A 62 10.735 10.328 8.773 1.00 0.00 O ATOM 967 CB ASP A 62 8.192 11.578 10.433 1.00 0.00 C ATOM 968 CG ASP A 62 8.063 12.012 11.880 1.00 0.00 C ATOM 969 OD1 ASP A 62 7.677 13.175 12.118 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.349 11.189 12.775 1.00 0.00 O ATOM 0 H ASP A 62 8.435 13.615 8.756 1.00 0.00 H new ATOM 0 HA ASP A 62 10.274 12.108 10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.327 11.931 9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.183 10.489 10.381 1.00 0.00 H new ATOM 975 N GLY A 63 9.249 11.402 7.467 1.00 0.00 N ATOM 976 CA GLY A 63 9.557 10.592 6.303 1.00 0.00 C ATOM 977 C GLY A 63 8.548 9.482 6.084 1.00 0.00 C ATOM 978 O GLY A 63 8.878 8.435 5.528 1.00 0.00 O ATOM 0 H GLY A 63 8.535 12.115 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.589 11.229 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.550 10.158 6.419 1.00 0.00 H new ATOM 982 N THR A 64 7.314 9.712 6.522 1.00 0.00 N ATOM 983 CA THR A 64 6.252 8.724 6.371 1.00 0.00 C ATOM 984 C THR A 64 5.557 8.873 5.021 1.00 0.00 C ATOM 985 O THR A 64 5.573 9.946 4.419 1.00 0.00 O ATOM 986 CB THR A 64 5.233 8.864 7.501 1.00 0.00 C ATOM 987 OG1 THR A 64 5.877 9.176 8.723 1.00 0.00 O ATOM 988 CG2 THR A 64 4.409 7.613 7.722 1.00 0.00 C ATOM 0 H THR A 64 7.025 10.574 6.984 1.00 0.00 H new ATOM 0 HA THR A 64 6.703 7.733 6.419 1.00 0.00 H new ATOM 0 HB THR A 64 4.567 9.669 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.207 9.263 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.706 7.780 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.859 7.374 6.812 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.068 6.783 7.976 1.00 0.00 H new ATOM 996 N CYS A 65 4.947 7.789 4.553 1.00 0.00 N ATOM 997 CA CYS A 65 4.245 7.799 3.275 1.00 0.00 C ATOM 998 C CYS A 65 2.734 7.759 3.485 1.00 0.00 C ATOM 999 O CYS A 65 2.204 6.820 4.078 1.00 0.00 O ATOM 1000 CB CYS A 65 4.683 6.609 2.420 1.00 0.00 C ATOM 1001 SG CYS A 65 6.469 6.507 2.158 1.00 0.00 S ATOM 0 H CYS A 65 4.925 6.893 5.040 1.00 0.00 H new ATOM 0 HA CYS A 65 4.498 8.724 2.756 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.343 5.689 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.187 6.669 1.451 1.00 0.00 H new ATOM 0 HG CYS A 65 6.975 5.616 2.958 1.00 0.00 H new ATOM 1007 N THR A 66 2.047 8.784 2.994 1.00 0.00 N ATOM 1008 CA THR A 66 0.596 8.866 3.126 1.00 0.00 C ATOM 1009 C THR A 66 -0.088 8.611 1.787 1.00 0.00 C ATOM 1010 O THR A 66 0.398 9.039 0.739 1.00 0.00 O ATOM 1011 CB THR A 66 0.190 10.238 3.668 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.132 11.226 3.291 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.067 10.273 5.175 1.00 0.00 C ATOM 0 H THR A 66 2.471 9.570 2.501 1.00 0.00 H new ATOM 0 HA THR A 66 0.275 8.096 3.828 1.00 0.00 H new ATOM 0 HB THR A 66 -0.789 10.441 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.853 12.096 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.223 11.274 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.690 9.557 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.025 10.013 5.624 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.218 7.914 1.829 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.969 7.602 0.619 1.00 0.00 C ATOM 1023 C LEU A 67 -2.768 8.812 0.147 1.00 0.00 C ATOM 1024 O LEU A 67 -3.314 9.562 0.956 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.909 6.421 0.868 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.556 5.831 -0.387 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.607 4.859 -1.069 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.867 5.144 -0.038 1.00 0.00 C ATOM 0 H LEU A 67 -1.634 7.554 2.688 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.257 7.333 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.352 5.633 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.698 6.742 1.548 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.769 6.645 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.084 4.449 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.694 5.382 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.362 4.048 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.313 4.730 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.678 4.340 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.551 5.868 0.405 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.833 8.995 -1.167 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.565 10.115 -1.747 1.00 0.00 C ATOM 1042 C GLN A 68 -5.069 9.928 -1.572 1.00 0.00 C ATOM 1043 O GLN A 68 -5.569 8.804 -1.577 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.228 10.260 -3.233 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.743 10.137 -3.534 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.399 10.553 -4.951 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.265 10.988 -5.710 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.129 10.421 -5.315 1.00 0.00 N ATOM 0 H GLN A 68 -2.388 8.383 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.264 11.023 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.769 9.499 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.583 11.229 -3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.181 10.753 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.428 9.106 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.556 10.056 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.162 10.685 -6.256 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.784 11.038 -1.416 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.231 10.996 -1.239 1.00 0.00 C ATOM 1059 C ASP A 69 -7.911 10.351 -2.443 1.00 0.00 C ATOM 1060 O ASP A 69 -8.965 9.729 -2.313 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.780 12.408 -1.024 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.760 12.819 0.435 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -6.832 12.401 1.158 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.673 13.562 0.855 1.00 0.00 O ATOM 0 H ASP A 69 -5.385 11.977 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.446 10.391 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.191 13.117 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.802 12.459 -1.399 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.301 10.504 -3.613 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.849 9.936 -4.840 1.00 0.00 C ATOM 1071 C CYS A 70 -7.490 8.459 -4.964 1.00 0.00 C ATOM 1072 O CYS A 70 -8.287 7.655 -5.448 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.330 10.702 -6.058 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.317 10.466 -7.555 1.00 0.00 S ATOM 0 H CYS A 70 -6.428 11.016 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.935 10.026 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.300 11.765 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.305 10.392 -6.259 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.800 11.155 -8.529 1.00 0.00 H new ATOM 1080 N MET A 71 -6.287 8.107 -4.524 1.00 0.00 N ATOM 1081 CA MET A 71 -5.823 6.726 -4.585 1.00 0.00 C ATOM 1082 C MET A 71 -6.745 5.803 -3.793 1.00 0.00 C ATOM 1083 O MET A 71 -6.860 4.616 -4.098 1.00 0.00 O ATOM 1084 CB MET A 71 -4.394 6.620 -4.050 1.00 0.00 C ATOM 1085 CG MET A 71 -3.341 7.116 -5.028 1.00 0.00 C ATOM 1086 SD MET A 71 -3.341 6.192 -6.576 1.00 0.00 S ATOM 1087 CE MET A 71 -3.337 4.508 -5.967 1.00 0.00 C ATOM 0 H MET A 71 -5.615 8.760 -4.121 1.00 0.00 H new ATOM 0 HA MET A 71 -5.837 6.413 -5.629 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.318 7.192 -3.125 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.185 5.580 -3.800 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.515 8.171 -5.239 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.357 7.042 -4.565 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.870 3.855 -6.705 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.776 4.460 -5.033 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.362 4.182 -5.792 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.400 6.356 -2.776 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.312 5.581 -1.941 1.00 0.00 C ATOM 1099 C TYR A 72 -9.394 4.915 -2.786 1.00 0.00 C ATOM 1100 O TYR A 72 -9.938 3.876 -2.410 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.955 6.479 -0.884 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.196 6.516 0.424 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.251 5.451 1.313 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.423 7.619 0.769 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.559 5.481 2.508 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.728 7.657 1.963 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.799 6.586 2.828 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.109 6.620 4.018 1.00 0.00 O ATOM 0 H TYR A 72 -7.316 7.337 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.735 4.801 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.032 7.492 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.971 6.133 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.845 4.584 1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.365 8.459 0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.613 4.644 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.132 8.521 2.217 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.872 5.707 4.285 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.704 5.519 -3.929 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.721 4.984 -4.827 1.00 0.00 C ATOM 1120 C LYS A 73 -10.367 3.569 -5.281 1.00 0.00 C ATOM 1121 O LYS A 73 -11.237 2.809 -5.708 1.00 0.00 O ATOM 1122 CB LYS A 73 -10.885 5.895 -6.045 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.528 7.235 -5.720 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.945 7.322 -6.262 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.996 8.102 -7.566 1.00 0.00 C ATOM 1126 NZ LYS A 73 -14.353 8.657 -7.830 1.00 0.00 N ATOM 0 H LYS A 73 -9.265 6.380 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.663 4.943 -4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.906 6.070 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.490 5.383 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.542 7.380 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.926 8.040 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.337 6.317 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.589 7.801 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.272 8.916 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.704 7.451 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.345 9.181 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.041 7.879 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.622 9.299 -7.057 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.086 3.220 -5.189 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.624 1.897 -5.592 1.00 0.00 C ATOM 1142 C ASP A 74 -8.522 0.960 -4.392 1.00 0.00 C ATOM 1143 O ASP A 74 -7.660 0.083 -4.348 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.265 1.999 -6.287 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.366 2.625 -7.665 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.899 1.964 -8.580 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.911 3.777 -7.828 1.00 0.00 O ATOM 0 H ASP A 74 -8.351 3.835 -4.839 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.354 1.485 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.588 2.591 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.829 1.004 -6.374 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.410 1.150 -3.420 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.418 0.320 -2.221 1.00 0.00 C ATOM 1154 C VAL A 75 -10.640 -0.593 -2.197 1.00 0.00 C ATOM 1155 O VAL A 75 -11.705 -0.207 -1.714 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.404 1.178 -0.942 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.264 0.299 0.292 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -8.284 2.207 -1.001 1.00 0.00 C ATOM 0 H VAL A 75 -10.132 1.870 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.513 -0.287 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.353 1.710 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.256 0.924 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.103 -0.394 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.332 -0.263 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.290 2.804 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.325 1.697 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.434 2.859 -1.862 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.478 -1.803 -2.720 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.568 -2.771 -2.757 1.00 0.00 C ATOM 1170 C GLN A 76 -12.059 -3.094 -1.351 1.00 0.00 C ATOM 1171 O GLN A 76 -11.290 -3.059 -0.390 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.117 -4.055 -3.458 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.514 -3.818 -4.833 1.00 0.00 C ATOM 1174 CD GLN A 76 -10.106 -5.107 -5.519 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.940 -5.816 -6.081 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.816 -5.418 -5.474 1.00 0.00 N ATOM 0 H GLN A 76 -9.603 -2.137 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.391 -2.328 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.384 -4.563 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.971 -4.725 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.236 -3.291 -5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.643 -3.170 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.159 -4.801 -4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.482 -6.274 -5.917 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.345 -3.412 -1.237 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.938 -3.745 0.053 1.00 0.00 C ATOM 1187 C LYS A 77 -14.020 -5.257 0.239 1.00 0.00 C ATOM 1188 O LYS A 77 -14.900 -5.760 0.939 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.333 -3.129 0.172 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.319 -1.676 0.621 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.429 -0.878 -0.044 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.664 -0.798 0.838 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.562 -1.971 0.647 1.00 0.00 N ATOM 0 H LYS A 77 -13.996 -3.446 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.300 -3.334 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.835 -3.198 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.921 -3.714 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.433 -1.627 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.354 -1.229 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.073 0.128 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.690 -1.340 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.360 -0.740 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.211 0.118 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.392 -1.877 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.873 -2.012 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.049 -2.844 0.885 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.099 -5.978 -0.392 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.067 -7.432 -0.295 1.00 0.00 C ATOM 1209 C ASP A 78 -11.633 -7.940 -0.193 1.00 0.00 C ATOM 1210 O ASP A 78 -11.329 -9.059 -0.605 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.756 -8.060 -1.510 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.243 -7.766 -1.545 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.612 -6.575 -1.611 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -16.039 -8.728 -1.507 1.00 0.00 O ATOM 0 H ASP A 78 -12.365 -5.578 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.602 -7.722 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.292 -7.684 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.602 -9.139 -1.495 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.753 -7.111 0.362 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.351 -7.477 0.518 1.00 0.00 C ATOM 1221 C TRP A 79 -9.199 -8.616 1.527 1.00 0.00 C ATOM 1222 O TRP A 79 -9.780 -8.575 2.610 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.534 -6.265 0.971 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.062 -6.418 0.738 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.080 -6.434 1.685 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.404 -6.572 -0.526 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.852 -6.591 1.089 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -5.025 -6.678 -0.268 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.849 -6.632 -1.850 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -4.087 -6.840 -1.284 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.916 -6.792 -2.858 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.550 -6.895 -2.571 1.00 0.00 C ATOM 0 H TRP A 79 -10.987 -6.182 0.711 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.977 -7.816 -0.448 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.888 -5.380 0.442 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.710 -6.094 2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.244 -6.337 2.748 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.957 -6.636 1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.901 -6.555 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -3.032 -6.919 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.247 -6.838 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.847 -7.020 -3.381 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.411 -9.652 1.184 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.191 -10.799 2.069 1.00 0.00 C ATOM 1245 C PRO A 80 -7.216 -10.491 3.204 1.00 0.00 C ATOM 1246 O PRO A 80 -6.966 -11.335 4.062 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.604 -11.851 1.132 1.00 0.00 C ATOM 1248 CG PRO A 80 -6.900 -11.069 0.079 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.675 -9.788 -0.089 1.00 0.00 C ATOM 0 HA PRO A 80 -9.109 -11.109 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.917 -12.512 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.385 -12.479 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.870 -10.864 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.862 -11.625 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.013 -8.939 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.354 -9.840 -0.940 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.668 -9.278 3.204 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.728 -8.890 4.240 1.00 0.00 C ATOM 1259 C GLY A 81 -6.419 -8.475 5.524 1.00 0.00 C ATOM 1260 O GLY A 81 -5.982 -8.837 6.617 1.00 0.00 O ATOM 0 H GLY A 81 -6.858 -8.559 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.055 -9.722 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.114 -8.065 3.879 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.499 -7.712 5.395 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.251 -7.247 6.554 1.00 0.00 C ATOM 1266 C TYR A 82 -9.012 -8.395 7.207 1.00 0.00 C ATOM 1267 O TYR A 82 -8.878 -9.551 6.805 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.225 -6.140 6.147 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.562 -4.968 5.459 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.357 -4.458 5.924 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.141 -4.374 4.346 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.747 -3.386 5.299 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.538 -3.302 3.715 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.342 -2.812 4.195 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.739 -1.746 3.570 1.00 0.00 O ATOM 0 H TYR A 82 -7.873 -7.402 4.498 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.541 -6.848 7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.981 -6.560 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.745 -5.781 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.889 -4.906 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.078 -4.755 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.810 -3.000 5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.001 -2.851 2.850 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.799 -1.696 3.842 1.00 0.00 H new ATOM 1285 N SER A 83 -9.812 -8.070 8.216 1.00 0.00 N ATOM 1286 CA SER A 83 -10.597 -9.073 8.927 1.00 0.00 C ATOM 1287 C SER A 83 -11.820 -8.442 9.585 1.00 0.00 C ATOM 1288 O SER A 83 -12.948 -8.630 9.131 1.00 0.00 O ATOM 1289 CB SER A 83 -9.737 -9.771 9.982 1.00 0.00 C ATOM 1290 OG SER A 83 -9.152 -10.953 9.464 1.00 0.00 O ATOM 0 H SER A 83 -9.934 -7.118 8.561 1.00 0.00 H new ATOM 0 HA SER A 83 -10.939 -9.811 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.954 -9.094 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.349 -10.015 10.851 1.00 0.00 H new ATOM 0 HG SER A 83 -8.939 -10.824 8.516 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.587 -7.691 10.656 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.669 -7.031 11.378 1.00 0.00 C ATOM 1298 C GLU A 84 -12.192 -5.718 11.992 1.00 0.00 C ATOM 1299 O GLU A 84 -12.763 -4.658 11.735 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.216 -7.951 12.471 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.430 -8.756 12.035 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.744 -9.897 12.984 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.793 -10.565 13.445 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.939 -10.124 13.265 1.00 0.00 O ATOM 0 H GLU A 84 -10.658 -7.524 11.043 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.465 -6.810 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.429 -8.637 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.482 -7.350 13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.295 -8.096 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.256 -9.156 11.036 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.142 -5.797 12.803 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.607 -4.608 13.440 1.00 0.00 C ATOM 1313 C GLY A 85 -10.088 -3.596 12.438 1.00 0.00 C ATOM 1314 O GLY A 85 -10.160 -2.390 12.671 1.00 0.00 O ATOM 0 H GLY A 85 -10.652 -6.662 13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.384 -4.146 14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.800 -4.893 14.115 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.563 -4.088 11.321 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.030 -3.217 10.280 1.00 0.00 C ATOM 1320 C ASP A 86 -10.132 -2.772 9.325 1.00 0.00 C ATOM 1321 O ASP A 86 -10.083 -1.671 8.775 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.925 -3.936 9.502 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.707 -4.221 10.359 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.832 -4.999 11.328 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.628 -3.666 10.060 1.00 0.00 O ATOM 0 H ASP A 86 -9.495 -5.084 11.113 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.612 -2.332 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.315 -4.874 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.630 -3.327 8.648 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.124 -3.634 9.130 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.238 -3.329 8.241 1.00 0.00 C ATOM 1332 C GLN A 87 -13.000 -2.098 8.723 1.00 0.00 C ATOM 1333 O GLN A 87 -13.362 -1.230 7.930 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.187 -4.525 8.149 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.621 -5.691 7.354 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.653 -6.768 7.082 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.838 -6.595 7.371 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.208 -7.888 6.525 1.00 0.00 N ATOM 0 H GLN A 87 -11.179 -4.550 9.576 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.832 -3.118 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.428 -4.866 9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.121 -4.202 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.227 -5.323 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.783 -6.125 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.218 -7.988 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.856 -8.648 6.320 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.241 -2.032 10.029 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.961 -0.908 10.617 1.00 0.00 C ATOM 1349 C GLN A 88 -13.129 0.369 10.545 1.00 0.00 C ATOM 1350 O GLN A 88 -13.652 1.447 10.264 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.323 -1.213 12.071 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.512 -2.149 12.217 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.777 -1.425 12.636 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.409 -0.741 11.830 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.153 -1.574 13.900 1.00 0.00 N ATOM 0 H GLN A 88 -12.948 -2.743 10.699 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.877 -0.756 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.459 -1.656 12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.542 -0.278 12.586 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.687 -2.659 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.277 -2.917 12.954 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.598 -2.151 14.533 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.997 -1.112 14.239 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.831 0.239 10.801 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.926 1.382 10.765 1.00 0.00 C ATOM 1366 C LEU A 89 -10.766 1.907 9.342 1.00 0.00 C ATOM 1367 O LEU A 89 -10.515 3.094 9.132 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.559 0.993 11.333 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.552 2.142 11.437 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.263 2.473 12.893 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.265 1.792 10.703 1.00 0.00 C ATOM 0 H LEU A 89 -11.383 -0.647 11.036 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.357 2.174 11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.703 0.565 12.325 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.131 0.210 10.707 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.989 3.023 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.545 3.292 12.944 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.187 2.769 13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.849 1.596 13.390 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.561 2.620 10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.827 0.897 11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.484 1.608 9.651 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.913 1.016 8.366 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.784 1.389 6.963 1.00 0.00 C ATOM 1385 C LEU A 90 -11.923 2.308 6.533 1.00 0.00 C ATOM 1386 O LEU A 90 -11.765 3.128 5.628 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.762 0.139 6.081 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.602 0.405 4.583 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.137 0.322 4.180 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.434 -0.579 3.774 1.00 0.00 C ATOM 0 H LEU A 90 -11.122 0.030 8.522 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.844 1.928 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.946 -0.504 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.687 -0.415 6.239 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.960 1.413 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.042 0.514 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.564 1.066 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.753 -0.673 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.308 -0.374 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.106 -1.596 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.485 -0.473 4.041 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.074 2.163 7.184 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.240 2.979 6.866 1.00 0.00 C ATOM 1404 C LYS A 91 -14.038 4.424 7.312 1.00 0.00 C ATOM 1405 O LYS A 91 -14.239 5.358 6.534 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.489 2.399 7.530 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.805 0.977 7.095 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.303 0.743 6.993 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.625 -0.727 6.776 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.855 -1.141 7.504 1.00 0.00 N ATOM 0 H LYS A 91 -13.223 1.488 7.934 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.372 2.970 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.357 2.418 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.342 3.038 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.339 0.779 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.374 0.274 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.789 1.092 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.709 1.331 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.753 -0.917 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.784 -1.335 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.039 -2.150 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.724 -0.984 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.663 -0.579 7.168 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.641 4.602 8.568 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.415 5.935 9.116 1.00 0.00 C ATOM 1426 C ARG A 92 -12.352 6.685 8.317 1.00 0.00 C ATOM 1427 O ARG A 92 -12.353 7.915 8.267 1.00 0.00 O ATOM 1428 CB ARG A 92 -12.998 5.843 10.585 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.644 5.181 10.798 1.00 0.00 C ATOM 1430 CD ARG A 92 -10.781 5.965 11.775 1.00 0.00 C ATOM 1431 NE ARG A 92 -10.333 5.141 12.894 1.00 0.00 N ATOM 1432 CZ ARG A 92 -9.321 5.466 13.695 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -8.651 6.596 13.505 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.979 4.660 14.691 1.00 0.00 N ATOM 0 H ARG A 92 -13.469 3.841 9.225 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.351 6.490 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.972 6.847 11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.756 5.284 11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.789 4.168 11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.126 5.096 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.914 6.367 11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.346 6.816 12.155 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.824 4.265 13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.911 7.221 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.876 6.840 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.491 3.791 14.843 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.203 4.909 15.305 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.446 5.939 7.694 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.380 6.536 6.900 1.00 0.00 C ATOM 1450 C VAL A 93 -10.915 7.071 5.576 1.00 0.00 C ATOM 1451 O VAL A 93 -10.600 8.191 5.174 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.255 5.522 6.613 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.084 6.202 5.917 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.800 4.849 7.901 1.00 0.00 C ATOM 0 H VAL A 93 -11.429 4.920 7.724 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.974 7.361 7.486 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.647 4.754 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.301 5.469 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.421 6.631 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.691 6.993 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.006 4.137 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.427 5.604 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.641 4.324 8.354 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.728 6.264 4.903 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.310 6.656 3.624 1.00 0.00 C ATOM 1466 C LEU A 94 -13.157 7.916 3.775 1.00 0.00 C ATOM 1467 O LEU A 94 -13.266 8.716 2.845 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.163 5.519 3.058 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.395 4.238 2.726 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -13.278 3.017 2.935 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.876 4.285 1.298 1.00 0.00 C ATOM 0 H LEU A 94 -11.999 5.334 5.222 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.495 6.868 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.946 5.279 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.659 5.872 2.154 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.542 4.163 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.715 2.115 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.602 2.976 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.151 3.084 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.332 3.366 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.715 4.384 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.208 5.139 1.181 1.00 0.00 H new ATOM 1483 N VAL A 95 -13.753 8.086 4.950 1.00 0.00 N ATOM 1484 CA VAL A 95 -14.589 9.248 5.221 1.00 0.00 C ATOM 1485 C VAL A 95 -13.759 10.412 5.751 1.00 0.00 C ATOM 1486 O VAL A 95 -13.921 11.552 5.315 1.00 0.00 O ATOM 1487 CB VAL A 95 -15.696 8.919 6.240 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -16.676 10.076 6.361 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.418 7.638 5.849 1.00 0.00 C ATOM 0 H VAL A 95 -13.672 7.433 5.730 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.048 9.533 4.274 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.232 8.765 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -17.450 9.823 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.146 10.969 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.136 10.267 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.197 7.421 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -16.869 7.761 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.706 6.813 5.822 1.00 0.00 H new ATOM 1499 N ARG A 96 -12.869 10.117 6.693 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.012 11.140 7.282 1.00 0.00 C ATOM 1501 C ARG A 96 -11.140 11.798 6.218 1.00 0.00 C ATOM 1502 O ARG A 96 -10.832 12.986 6.301 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.132 10.530 8.374 1.00 0.00 C ATOM 1504 CG ARG A 96 -11.835 10.390 9.716 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.380 11.722 10.202 1.00 0.00 C ATOM 1506 NE ARG A 96 -13.820 11.837 9.986 1.00 0.00 N ATOM 1507 CZ ARG A 96 -14.728 11.129 10.652 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -14.351 10.254 11.577 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -16.019 11.296 10.396 1.00 0.00 N ATOM 0 H ARG A 96 -12.722 9.179 7.065 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.651 11.904 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.791 9.547 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.244 11.149 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.651 9.673 9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.138 9.990 10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.163 11.837 11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.870 12.533 9.683 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.149 12.499 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.360 10.122 11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.052 9.714 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.316 11.968 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.715 10.753 10.907 1.00 0.00 H new ATOM 1523 N LYS A 97 -10.743 11.015 5.220 1.00 0.00 N ATOM 1524 CA LYS A 97 -9.906 11.521 4.138 1.00 0.00 C ATOM 1525 C LYS A 97 -10.742 12.275 3.109 1.00 0.00 C ATOM 1526 O LYS A 97 -10.464 13.432 2.796 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.160 10.369 3.462 1.00 0.00 C ATOM 1528 CG LYS A 97 -7.963 9.869 4.255 1.00 0.00 C ATOM 1529 CD LYS A 97 -6.694 10.611 3.872 1.00 0.00 C ATOM 1530 CE LYS A 97 -5.450 9.825 4.257 1.00 0.00 C ATOM 1531 NZ LYS A 97 -4.812 10.363 5.490 1.00 0.00 N ATOM 0 H LYS A 97 -10.987 10.028 5.138 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.181 12.213 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.852 9.542 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.823 10.694 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.152 9.996 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.829 8.802 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.690 10.797 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.678 11.584 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.715 8.779 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.734 9.854 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.968 9.800 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.536 11.353 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.486 10.312 6.280 1.00 0.00 H new ATOM 1545 N LEU A 98 -11.767 11.609 2.586 1.00 0.00 N ATOM 1546 CA LEU A 98 -12.644 12.217 1.592 1.00 0.00 C ATOM 1547 C LEU A 98 -13.610 13.198 2.247 1.00 0.00 C ATOM 1548 O LEU A 98 -14.540 12.797 2.947 1.00 0.00 O ATOM 1549 CB LEU A 98 -13.427 11.136 0.844 1.00 0.00 C ATOM 1550 CG LEU A 98 -12.592 9.947 0.363 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -13.494 8.823 -0.120 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -11.637 10.378 -0.740 1.00 0.00 C ATOM 0 H LEU A 98 -12.010 10.650 2.834 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.024 12.764 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.218 10.765 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.913 11.592 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.003 9.577 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.883 7.986 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.137 8.496 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.110 9.180 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.051 9.520 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.207 10.773 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.968 11.150 -0.361 1.00 0.00 H new ATOM 1564 N SER A 99 -13.384 14.488 2.015 1.00 0.00 N ATOM 1565 CA SER A 99 -14.234 15.527 2.583 1.00 0.00 C ATOM 1566 C SER A 99 -14.206 15.483 4.107 1.00 0.00 C ATOM 1567 O SER A 99 -14.766 14.575 4.722 1.00 0.00 O ATOM 1568 CB SER A 99 -15.672 15.369 2.083 1.00 0.00 C ATOM 1569 OG SER A 99 -15.734 15.457 0.671 1.00 0.00 O ATOM 0 H SER A 99 -12.619 14.838 1.438 1.00 0.00 H new ATOM 0 HA SER A 99 -13.847 16.493 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 99 -16.070 14.408 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.301 16.141 2.526 1.00 0.00 H new ATOM 0 HG SER A 99 -16.663 15.351 0.377 1.00 0.00 H new ATOM 1575 N GLY A 100 -13.548 16.467 4.711 1.00 0.00 N ATOM 1576 CA GLY A 100 -13.458 16.520 6.158 1.00 0.00 C ATOM 1577 C GLY A 100 -14.454 17.491 6.768 1.00 0.00 C ATOM 1578 O GLY A 100 -15.531 17.084 7.202 1.00 0.00 O ATOM 0 H GLY A 100 -13.076 17.229 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.630 15.524 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.448 16.812 6.445 1.00 0.00 H new ATOM 1582 N PRO A 101 -14.117 18.792 6.815 1.00 0.00 N ATOM 1583 CA PRO A 101 -15.002 19.815 7.380 1.00 0.00 C ATOM 1584 C PRO A 101 -16.238 20.052 6.520 1.00 0.00 C ATOM 1585 O PRO A 101 -16.409 19.426 5.474 1.00 0.00 O ATOM 1586 CB PRO A 101 -14.124 21.068 7.411 1.00 0.00 C ATOM 1587 CG PRO A 101 -13.109 20.846 6.345 1.00 0.00 C ATOM 1588 CD PRO A 101 -12.852 19.364 6.319 1.00 0.00 C ATOM 0 HA PRO A 101 -15.387 19.524 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.710 21.967 7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.653 21.197 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.474 21.196 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.193 21.397 6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.619 19.014 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.010 19.090 6.955 1.00 0.00 H new ATOM 1596 N SER A 102 -17.100 20.960 6.968 1.00 0.00 N ATOM 1597 CA SER A 102 -18.321 21.279 6.239 1.00 0.00 C ATOM 1598 C SER A 102 -18.000 21.942 4.903 1.00 0.00 C ATOM 1599 O SER A 102 -18.619 21.638 3.884 1.00 0.00 O ATOM 1600 CB SER A 102 -19.215 22.197 7.076 1.00 0.00 C ATOM 1601 OG SER A 102 -20.324 22.655 6.323 1.00 0.00 O ATOM 0 H SER A 102 -16.975 21.487 7.832 1.00 0.00 H new ATOM 0 HA SER A 102 -18.851 20.347 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.567 21.662 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.635 23.049 7.431 1.00 0.00 H new ATOM 0 HG SER A 102 -20.880 23.238 6.881 1.00 0.00 H new ATOM 1607 N SER A 103 -17.030 22.850 4.917 1.00 0.00 N ATOM 1608 CA SER A 103 -16.627 23.556 3.707 1.00 0.00 C ATOM 1609 C SER A 103 -17.791 24.358 3.131 1.00 0.00 C ATOM 1610 O SER A 103 -18.861 24.437 3.734 1.00 0.00 O ATOM 1611 CB SER A 103 -16.108 22.567 2.663 1.00 0.00 C ATOM 1612 OG SER A 103 -15.061 21.770 3.190 1.00 0.00 O ATOM 0 H SER A 103 -16.509 23.114 5.753 1.00 0.00 H new ATOM 0 HA SER A 103 -15.827 24.248 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 103 -16.924 21.926 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.750 23.111 1.789 1.00 0.00 H new ATOM 0 HG SER A 103 -14.748 21.145 2.503 1.00 0.00 H new ATOM 1618 N GLY A 104 -17.574 24.949 1.961 1.00 0.00 N ATOM 1619 CA GLY A 104 -18.613 25.736 1.324 1.00 0.00 C ATOM 1620 C GLY A 104 -18.752 25.427 -0.154 1.00 0.00 C ATOM 1621 O GLY A 104 -19.709 25.929 -0.779 1.00 0.00 O ATOM 1622 OXT GLY A 104 -17.901 24.682 -0.687 1.00 0.00 O ATOM 0 H GLY A 104 -16.697 24.897 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -19.564 25.548 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -18.391 26.796 1.451 1.00 0.00 H new TER 1626 GLY A 104