USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 804 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 35 MET CE :methyl 149:sc= -4.13! (180deg=-4.64!) USER MOD Set 1.2: A 128 GLN : amide:sc= -0.517 K(o=-4.6,f=-6.3!) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.224 K(o=-1.6,f=-10!) USER MOD Set 2.2: A 38 ASN : amide:sc= -1.78 K(o=-1.6,f=-10!) USER MOD Single : A 17 ASN : amide:sc= -0.0193 X(o=-0.019,f=-0.0085) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -60:sc= 0.695 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.0759 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 32:sc= 0.375 USER MOD Single : A 48 CYS SG : rot 170:sc= -2.9 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.108 K(o=-0.11,f=-4.2!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0506 USER MOD Single : A 102 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 0.109 K(o=0.11,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -2.83! K(o=-2.8!,f=-3.9) USER MOD Single : A 118 GLN : amide:sc= -0.705 X(o=-0.7,f=-1) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 CYS SG : rot 180:sc= -1.91 USER MOD Single : A 124 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-0.34) USER MOD Single : A 125 MET CE :methyl -129:sc= -0.979 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.889 -11.070 -11.859 1.00 0.00 N ATOM 78 CA ASN A 9 -21.460 -10.497 -10.595 1.00 0.00 C ATOM 79 C ASN A 9 -20.051 -9.922 -10.752 1.00 0.00 C ATOM 80 O ASN A 9 -19.268 -10.403 -11.570 1.00 0.00 O ATOM 81 CB ASN A 9 -21.418 -11.559 -9.495 1.00 0.00 C ATOM 82 CG ASN A 9 -22.548 -12.575 -9.669 1.00 0.00 C ATOM 83 OD1 ASN A 9 -23.720 -12.238 -9.706 1.00 0.00 O ATOM 84 ND2 ASN A 9 -22.133 -13.834 -9.774 1.00 0.00 N ATOM 0 HA ASN A 9 -22.172 -9.720 -10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.457 -12.072 -9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.502 -11.080 -8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.811 -14.586 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.136 -14.047 -9.735 1.00 0.00 H new ATOM 91 N PHE A 10 -19.771 -8.901 -9.956 1.00 0.00 N ATOM 92 CA PHE A 10 -18.470 -8.255 -9.996 1.00 0.00 C ATOM 93 C PHE A 10 -18.171 -7.542 -8.676 1.00 0.00 C ATOM 94 O PHE A 10 -18.983 -6.754 -8.194 1.00 0.00 O ATOM 95 CB PHE A 10 -18.519 -7.220 -11.121 1.00 0.00 C ATOM 96 CG PHE A 10 -19.223 -5.916 -10.738 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.547 -4.953 -10.056 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.525 -5.721 -11.078 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.200 -3.744 -9.700 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.178 -4.511 -10.722 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.502 -3.548 -10.040 1.00 0.00 C ATOM 0 H PHE A 10 -20.423 -8.505 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.690 -8.999 -10.161 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.501 -6.992 -11.436 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.028 -7.657 -11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.513 -5.108 -9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.062 -6.486 -11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -18.663 -2.979 -9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.212 -4.356 -10.993 1.00 0.00 H new ATOM 0 HZ PHE A 10 -20.999 -2.628 -9.769 1.00 0.00 H new ATOM 111 N LEU A 11 -17.002 -7.845 -8.129 1.00 0.00 N ATOM 112 CA LEU A 11 -16.585 -7.243 -6.874 1.00 0.00 C ATOM 113 C LEU A 11 -15.220 -6.577 -7.061 1.00 0.00 C ATOM 114 O LEU A 11 -14.200 -7.259 -7.145 1.00 0.00 O ATOM 115 CB LEU A 11 -16.616 -8.277 -5.747 1.00 0.00 C ATOM 116 CG LEU A 11 -15.901 -7.882 -4.454 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.862 -7.188 -3.486 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.217 -9.091 -3.813 1.00 0.00 C ATOM 0 H LEU A 11 -16.331 -8.499 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.283 -6.461 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.657 -8.496 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.172 -9.201 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.119 -7.164 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.328 -6.918 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.262 -6.288 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.681 -7.864 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.716 -8.782 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.963 -9.851 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.483 -9.503 -4.505 1.00 0.00 H new ATOM 130 N GLU A 12 -15.246 -5.254 -7.121 1.00 0.00 N ATOM 131 CA GLU A 12 -14.023 -4.489 -7.296 1.00 0.00 C ATOM 132 C GLU A 12 -14.021 -3.272 -6.368 1.00 0.00 C ATOM 133 O GLU A 12 -15.076 -2.828 -5.919 1.00 0.00 O ATOM 134 CB GLU A 12 -13.846 -4.066 -8.756 1.00 0.00 C ATOM 135 CG GLU A 12 -13.723 -5.287 -9.670 1.00 0.00 C ATOM 136 CD GLU A 12 -12.307 -5.407 -10.236 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.730 -4.344 -10.552 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.833 -6.559 -10.340 1.00 0.00 O ATOM 0 H GLU A 12 -16.094 -4.692 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.178 -5.125 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.695 -3.458 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.956 -3.444 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.974 -6.190 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.440 -5.208 -10.487 1.00 0.00 H new ATOM 145 N ILE A 13 -12.823 -2.768 -6.109 1.00 0.00 N ATOM 146 CA ILE A 13 -12.669 -1.612 -5.243 1.00 0.00 C ATOM 147 C ILE A 13 -11.845 -0.545 -5.966 1.00 0.00 C ATOM 148 O ILE A 13 -11.038 -0.863 -6.838 1.00 0.00 O ATOM 149 CB ILE A 13 -12.085 -2.029 -3.892 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.077 -2.891 -3.109 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.631 -0.807 -3.091 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.451 -4.234 -2.724 1.00 0.00 C ATOM 0 H ILE A 13 -11.950 -3.139 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.640 -1.170 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.202 -2.641 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.394 -2.362 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.970 -3.061 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.220 -1.131 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.867 -0.268 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.483 -0.150 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.177 -4.828 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.158 -4.771 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.572 -4.061 -2.103 1.00 0.00 H new ATOM 164 N ASP A 14 -12.078 0.701 -5.578 1.00 0.00 N ATOM 165 CA ASP A 14 -11.367 1.817 -6.179 1.00 0.00 C ATOM 166 C ASP A 14 -10.567 2.547 -5.098 1.00 0.00 C ATOM 167 O ASP A 14 -10.984 2.601 -3.942 1.00 0.00 O ATOM 168 CB ASP A 14 -12.341 2.818 -6.803 1.00 0.00 C ATOM 169 CG ASP A 14 -12.604 2.619 -8.297 1.00 0.00 C ATOM 170 OD1 ASP A 14 -11.773 1.936 -8.933 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.630 3.155 -8.769 1.00 0.00 O ATOM 0 H ASP A 14 -12.749 0.962 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.711 1.421 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.291 2.758 -6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.952 3.825 -6.649 1.00 0.00 H new ATOM 176 N ILE A 15 -9.432 3.089 -5.513 1.00 0.00 N ATOM 177 CA ILE A 15 -8.569 3.814 -4.595 1.00 0.00 C ATOM 178 C ILE A 15 -8.135 5.131 -5.242 1.00 0.00 C ATOM 179 O ILE A 15 -7.204 5.155 -6.045 1.00 0.00 O ATOM 180 CB ILE A 15 -7.400 2.932 -4.151 1.00 0.00 C ATOM 181 CG1 ILE A 15 -7.898 1.587 -3.620 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.521 3.660 -3.131 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.359 1.707 -2.166 1.00 0.00 C ATOM 0 H ILE A 15 -9.089 3.041 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.110 4.070 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.779 2.724 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.722 1.231 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.102 0.846 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.698 3.011 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.122 4.570 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.117 3.917 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.708 0.736 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.526 2.040 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.172 2.430 -2.101 1.00 0.00 H new ATOM 195 N PHE A 16 -8.831 6.194 -4.867 1.00 0.00 N ATOM 196 CA PHE A 16 -8.529 7.512 -5.400 1.00 0.00 C ATOM 197 C PHE A 16 -8.929 8.608 -4.411 1.00 0.00 C ATOM 198 O PHE A 16 -9.335 8.317 -3.287 1.00 0.00 O ATOM 199 CB PHE A 16 -9.349 7.674 -6.682 1.00 0.00 C ATOM 200 CG PHE A 16 -10.856 7.789 -6.447 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.621 6.666 -6.378 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.431 9.013 -6.306 1.00 0.00 C ATOM 203 CE1 PHE A 16 -13.020 6.773 -6.160 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.830 9.120 -6.087 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.595 7.997 -6.018 1.00 0.00 C ATOM 0 H PHE A 16 -9.603 6.170 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.459 7.602 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.005 8.563 -7.211 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.157 6.822 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.164 5.694 -6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.823 9.904 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.628 5.882 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.287 10.092 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.659 8.078 -5.850 1.00 0.00 H new ATOM 215 N ASN A 17 -8.801 9.846 -4.866 1.00 0.00 N ATOM 216 CA ASN A 17 -9.144 10.988 -4.035 1.00 0.00 C ATOM 217 C ASN A 17 -8.192 11.047 -2.838 1.00 0.00 C ATOM 218 O ASN A 17 -8.629 10.993 -1.690 1.00 0.00 O ATOM 219 CB ASN A 17 -10.571 10.869 -3.498 1.00 0.00 C ATOM 220 CG ASN A 17 -11.317 12.199 -3.622 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.606 12.680 -4.706 1.00 0.00 O ATOM 222 ND2 ASN A 17 -11.610 12.766 -2.455 1.00 0.00 N ATOM 0 H ASN A 17 -8.465 10.083 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.062 11.887 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.107 10.095 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.545 10.558 -2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.106 13.657 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.339 12.310 -1.584 1.00 0.00 H new ATOM 229 N PRO A 18 -6.874 11.160 -3.157 1.00 0.00 N ATOM 230 CA PRO A 18 -5.857 11.226 -2.122 1.00 0.00 C ATOM 231 C PRO A 18 -5.848 12.601 -1.450 1.00 0.00 C ATOM 232 O PRO A 18 -5.506 13.601 -2.079 1.00 0.00 O ATOM 233 CB PRO A 18 -4.552 10.903 -2.831 1.00 0.00 C ATOM 234 CG PRO A 18 -4.817 11.125 -4.312 1.00 0.00 C ATOM 235 CD PRO A 18 -6.321 11.226 -4.506 1.00 0.00 C ATOM 0 HA PRO A 18 -6.038 10.522 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.746 11.546 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.247 9.874 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.326 12.035 -4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.411 10.302 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.595 12.158 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.696 10.413 -5.128 1.00 0.00 H new ATOM 243 N GLN A 19 -6.228 12.606 -0.181 1.00 0.00 N ATOM 244 CA GLN A 19 -6.268 13.842 0.583 1.00 0.00 C ATOM 245 C GLN A 19 -5.234 13.802 1.710 1.00 0.00 C ATOM 246 O GLN A 19 -5.031 12.763 2.335 1.00 0.00 O ATOM 247 CB GLN A 19 -7.671 14.099 1.136 1.00 0.00 C ATOM 248 CG GLN A 19 -7.932 15.599 1.292 1.00 0.00 C ATOM 249 CD GLN A 19 -8.442 16.206 -0.017 1.00 0.00 C ATOM 250 OE1 GLN A 19 -7.682 16.641 -0.866 1.00 0.00 O ATOM 251 NE2 GLN A 19 -9.767 16.210 -0.131 1.00 0.00 N ATOM 0 H GLN A 19 -6.511 11.774 0.338 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.019 14.667 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.414 13.664 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.782 13.605 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.664 15.764 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.014 16.102 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.345 15.829 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.206 16.594 -0.968 1.00 0.00 H new ATOM 260 N THR A 20 -4.607 14.948 1.935 1.00 0.00 N ATOM 261 CA THR A 20 -3.599 15.058 2.975 1.00 0.00 C ATOM 262 C THR A 20 -4.238 15.503 4.292 1.00 0.00 C ATOM 263 O THR A 20 -5.215 16.249 4.291 1.00 0.00 O ATOM 264 CB THR A 20 -2.507 16.007 2.478 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.916 15.312 1.383 1.00 0.00 O ATOM 266 CG2 THR A 20 -1.363 16.162 3.482 1.00 0.00 C ATOM 0 H THR A 20 -4.778 15.808 1.414 1.00 0.00 H new ATOM 0 HA THR A 20 -3.139 14.092 3.183 1.00 0.00 H new ATOM 0 HB THR A 20 -2.943 16.985 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.198 15.857 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.616 16.846 3.079 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.752 16.561 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.905 15.190 3.664 1.00 0.00 H new ATOM 412 N THR A 30 -4.634 10.295 2.437 1.00 0.00 N ATOM 413 CA THR A 30 -5.674 9.290 2.581 1.00 0.00 C ATOM 414 C THR A 30 -6.088 8.751 1.210 1.00 0.00 C ATOM 415 O THR A 30 -5.532 9.150 0.188 1.00 0.00 O ATOM 416 CB THR A 30 -6.831 9.915 3.363 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.324 10.935 2.498 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.356 10.676 4.603 1.00 0.00 C ATOM 0 HA THR A 30 -5.314 8.426 3.140 1.00 0.00 H new ATOM 0 HB THR A 30 -7.531 9.134 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.611 11.583 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.216 11.100 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.831 9.993 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.683 11.478 4.302 1.00 0.00 H new ATOM 426 N TYR A 31 -7.062 7.853 1.233 1.00 0.00 N ATOM 427 CA TYR A 31 -7.558 7.256 0.005 1.00 0.00 C ATOM 428 C TYR A 31 -9.029 6.859 0.143 1.00 0.00 C ATOM 429 O TYR A 31 -9.420 6.248 1.136 1.00 0.00 O ATOM 430 CB TYR A 31 -6.721 5.994 -0.218 1.00 0.00 C ATOM 431 CG TYR A 31 -5.239 6.270 -0.482 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.857 6.967 -1.610 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.284 5.821 0.408 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.462 7.226 -1.858 1.00 0.00 C ATOM 435 CE2 TYR A 31 -2.890 6.080 0.160 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.548 6.769 -0.961 1.00 0.00 C ATOM 437 OH TYR A 31 -1.230 7.014 -1.195 1.00 0.00 O ATOM 0 H TYR A 31 -7.521 7.525 2.083 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.481 7.961 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.810 5.352 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.133 5.441 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.604 7.318 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.583 5.275 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.149 7.771 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.133 5.735 0.849 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.692 6.630 -0.471 1.00 0.00 H new ATOM 447 N GLU A 32 -9.804 7.223 -0.868 1.00 0.00 N ATOM 448 CA GLU A 32 -11.224 6.912 -0.873 1.00 0.00 C ATOM 449 C GLU A 32 -11.456 5.495 -1.399 1.00 0.00 C ATOM 450 O GLU A 32 -11.346 5.249 -2.600 1.00 0.00 O ATOM 451 CB GLU A 32 -12.007 7.938 -1.695 1.00 0.00 C ATOM 452 CG GLU A 32 -12.427 9.128 -0.830 1.00 0.00 C ATOM 453 CD GLU A 32 -13.948 9.180 -0.672 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.621 9.357 -1.711 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.404 9.042 0.484 1.00 0.00 O ATOM 0 H GLU A 32 -9.476 7.730 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.590 6.961 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.395 8.287 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.891 7.467 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.958 9.053 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.073 10.054 -1.282 1.00 0.00 H new ATOM 462 N VAL A 33 -11.772 4.599 -0.476 1.00 0.00 N ATOM 463 CA VAL A 33 -12.020 3.212 -0.832 1.00 0.00 C ATOM 464 C VAL A 33 -13.470 3.062 -1.299 1.00 0.00 C ATOM 465 O VAL A 33 -14.364 2.823 -0.489 1.00 0.00 O ATOM 466 CB VAL A 33 -11.674 2.299 0.346 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.782 0.826 -0.053 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.281 2.618 0.895 1.00 0.00 C ATOM 0 H VAL A 33 -11.862 4.806 0.519 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.378 2.909 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.398 2.485 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.531 0.198 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.801 0.610 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.091 0.619 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.059 1.955 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.539 2.473 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.252 3.653 1.235 1.00 0.00 H new ATOM 478 N ARG A 34 -13.657 3.208 -2.602 1.00 0.00 N ATOM 479 CA ARG A 34 -14.982 3.092 -3.186 1.00 0.00 C ATOM 480 C ARG A 34 -15.180 1.695 -3.779 1.00 0.00 C ATOM 481 O ARG A 34 -14.678 1.401 -4.863 1.00 0.00 O ATOM 482 CB ARG A 34 -15.195 4.139 -4.281 1.00 0.00 C ATOM 483 CG ARG A 34 -16.646 4.135 -4.768 1.00 0.00 C ATOM 484 CD ARG A 34 -16.968 5.416 -5.540 1.00 0.00 C ATOM 485 NE ARG A 34 -18.271 5.961 -5.097 1.00 0.00 N ATOM 486 CZ ARG A 34 -18.861 7.034 -5.641 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.268 7.684 -6.652 1.00 0.00 N ATOM 488 NH2 ARG A 34 -20.043 7.457 -5.174 1.00 0.00 N ATOM 0 H ARG A 34 -12.912 3.406 -3.270 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.710 3.260 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.938 5.127 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.526 3.937 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.817 3.268 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.319 4.041 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.182 6.154 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.996 5.208 -6.610 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.750 5.490 -4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.368 7.362 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.717 8.501 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.494 6.962 -4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.492 8.274 -5.588 1.00 0.00 H new ATOM 502 N MET A 35 -15.912 0.873 -3.043 1.00 0.00 N ATOM 503 CA MET A 35 -16.182 -0.486 -3.483 1.00 0.00 C ATOM 504 C MET A 35 -17.556 -0.583 -4.148 1.00 0.00 C ATOM 505 O MET A 35 -18.444 0.220 -3.868 1.00 0.00 O ATOM 506 CB MET A 35 -16.128 -1.432 -2.281 1.00 0.00 C ATOM 507 CG MET A 35 -16.534 -2.851 -2.683 1.00 0.00 C ATOM 508 SD MET A 35 -18.307 -3.028 -2.591 1.00 0.00 S ATOM 509 CE MET A 35 -18.438 -4.118 -1.184 1.00 0.00 C ATOM 0 H MET A 35 -16.327 1.121 -2.145 1.00 0.00 H new ATOM 0 HA MET A 35 -15.424 -0.769 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.120 -1.442 -1.866 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.792 -1.068 -1.497 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.191 -3.063 -3.696 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.053 -3.576 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.367 -3.915 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.434 -5.154 -1.524 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.593 -3.952 -0.516 1.00 0.00 H new ATOM 519 N ARG A 36 -17.688 -1.575 -5.017 1.00 0.00 N ATOM 520 CA ARG A 36 -18.938 -1.788 -5.725 1.00 0.00 C ATOM 521 C ARG A 36 -19.127 -3.275 -6.034 1.00 0.00 C ATOM 522 O ARG A 36 -18.352 -3.858 -6.790 1.00 0.00 O ATOM 523 CB ARG A 36 -18.974 -0.994 -7.033 1.00 0.00 C ATOM 524 CG ARG A 36 -19.625 0.375 -6.825 1.00 0.00 C ATOM 525 CD ARG A 36 -19.437 1.264 -8.057 1.00 0.00 C ATOM 526 NE ARG A 36 -20.592 1.114 -8.970 1.00 0.00 N ATOM 527 CZ ARG A 36 -20.596 1.517 -10.248 1.00 0.00 C ATOM 528 NH1 ARG A 36 -19.506 2.096 -10.771 1.00 0.00 N ATOM 529 NH2 ARG A 36 -21.689 1.341 -11.002 1.00 0.00 N ATOM 0 H ARG A 36 -16.949 -2.240 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.746 -1.441 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.960 -0.865 -7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.528 -1.553 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.688 0.249 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.189 0.860 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.337 2.306 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.516 0.993 -8.574 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.438 0.677 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.674 2.230 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.509 2.403 -11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.518 0.900 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -21.692 1.648 -11.975 1.00 0.00 H new ATOM 543 N THR A 37 -20.161 -3.845 -5.433 1.00 0.00 N ATOM 544 CA THR A 37 -20.461 -5.252 -5.635 1.00 0.00 C ATOM 545 C THR A 37 -21.963 -5.452 -5.848 1.00 0.00 C ATOM 546 O THR A 37 -22.745 -4.515 -5.699 1.00 0.00 O ATOM 547 CB THR A 37 -19.908 -6.029 -4.439 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.962 -7.391 -4.854 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.837 -5.973 -3.224 1.00 0.00 C ATOM 0 H THR A 37 -20.801 -3.358 -4.806 1.00 0.00 H new ATOM 0 HA THR A 37 -19.983 -5.633 -6.538 1.00 0.00 H new ATOM 0 HB THR A 37 -18.931 -5.630 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.773 -7.974 -4.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.397 -6.540 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.972 -4.936 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.804 -6.403 -3.485 1.00 0.00 H new ATOM 557 N ASN A 38 -22.321 -6.680 -6.193 1.00 0.00 N ATOM 558 CA ASN A 38 -23.715 -7.015 -6.428 1.00 0.00 C ATOM 559 C ASN A 38 -24.044 -8.332 -5.722 1.00 0.00 C ATOM 560 O ASN A 38 -25.052 -8.968 -6.026 1.00 0.00 O ATOM 561 CB ASN A 38 -23.993 -7.197 -7.921 1.00 0.00 C ATOM 562 CG ASN A 38 -23.400 -8.511 -8.434 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.257 -8.849 -8.174 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.238 -9.230 -9.175 1.00 0.00 N ATOM 0 H ASN A 38 -21.670 -7.455 -6.315 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.328 -6.199 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.068 -7.186 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.570 -6.361 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.937 -10.123 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.182 -8.888 -9.354 1.00 0.00 H new ATOM 571 N LEU A 39 -23.175 -8.702 -4.793 1.00 0.00 N ATOM 572 CA LEU A 39 -23.361 -9.932 -4.041 1.00 0.00 C ATOM 573 C LEU A 39 -24.146 -9.629 -2.763 1.00 0.00 C ATOM 574 O LEU A 39 -24.121 -8.504 -2.266 1.00 0.00 O ATOM 575 CB LEU A 39 -22.016 -10.614 -3.789 1.00 0.00 C ATOM 576 CG LEU A 39 -21.123 -10.811 -5.016 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.743 -11.335 -4.612 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.800 -11.717 -6.047 1.00 0.00 C ATOM 0 H LEU A 39 -22.340 -8.172 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.951 -10.645 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.465 -10.027 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.204 -11.590 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.973 -9.840 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.129 -11.466 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.264 -10.620 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.852 -12.292 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -21.144 -11.841 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -22.000 -12.691 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.739 -11.266 -6.367 1.00 0.00 H new ATOM 590 N PRO A 40 -24.844 -10.680 -2.255 1.00 0.00 N ATOM 591 CA PRO A 40 -25.635 -10.538 -1.044 1.00 0.00 C ATOM 592 C PRO A 40 -24.738 -10.489 0.194 1.00 0.00 C ATOM 593 O PRO A 40 -25.015 -9.749 1.137 1.00 0.00 O ATOM 594 CB PRO A 40 -26.578 -11.730 -1.048 1.00 0.00 C ATOM 595 CG PRO A 40 -25.970 -12.739 -2.009 1.00 0.00 C ATOM 596 CD PRO A 40 -24.898 -12.026 -2.817 1.00 0.00 C ATOM 0 HA PRO A 40 -26.196 -9.604 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.677 -12.153 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.577 -11.437 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.540 -13.577 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.736 -13.148 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.936 -12.530 -2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.151 -12.003 -3.877 1.00 0.00 H new ATOM 604 N ILE A 41 -23.682 -11.288 0.152 1.00 0.00 N ATOM 605 CA ILE A 41 -22.742 -11.345 1.259 1.00 0.00 C ATOM 606 C ILE A 41 -22.557 -9.941 1.839 1.00 0.00 C ATOM 607 O ILE A 41 -22.550 -9.764 3.056 1.00 0.00 O ATOM 608 CB ILE A 41 -21.435 -12.006 0.819 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.563 -11.026 0.031 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.707 -13.291 0.034 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.160 -11.595 -0.189 1.00 0.00 C ATOM 0 H ILE A 41 -23.456 -11.901 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.135 -11.972 2.060 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.877 -12.287 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.028 -10.813 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.496 -10.080 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.761 -13.741 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.258 -13.991 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.296 -13.058 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.561 -10.879 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.689 -11.784 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.229 -12.528 -0.748 1.00 0.00 H new ATOM 623 N PHE A 42 -22.411 -8.979 0.939 1.00 0.00 N ATOM 624 CA PHE A 42 -22.226 -7.596 1.345 1.00 0.00 C ATOM 625 C PHE A 42 -23.569 -6.931 1.654 1.00 0.00 C ATOM 626 O PHE A 42 -24.545 -7.130 0.932 1.00 0.00 O ATOM 627 CB PHE A 42 -21.569 -6.869 0.171 1.00 0.00 C ATOM 628 CG PHE A 42 -20.115 -7.276 -0.078 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.836 -8.375 -0.829 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.102 -6.540 0.452 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.487 -8.753 -1.060 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.753 -6.918 0.221 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.474 -8.017 -0.530 1.00 0.00 C ATOM 0 H PHE A 42 -22.417 -9.130 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.613 -7.552 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.149 -7.060 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.609 -5.795 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.640 -8.960 -1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.324 -5.668 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.265 -9.625 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.949 -6.333 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.448 -8.305 -0.705 1.00 0.00 H new ATOM 643 N LYS A 43 -23.576 -6.156 2.728 1.00 0.00 N ATOM 644 CA LYS A 43 -24.783 -5.460 3.142 1.00 0.00 C ATOM 645 C LYS A 43 -25.026 -4.271 2.210 1.00 0.00 C ATOM 646 O LYS A 43 -26.121 -4.113 1.672 1.00 0.00 O ATOM 647 CB LYS A 43 -24.700 -5.076 4.620 1.00 0.00 C ATOM 648 CG LYS A 43 -26.081 -5.121 5.277 1.00 0.00 C ATOM 649 CD LYS A 43 -25.982 -5.585 6.732 1.00 0.00 C ATOM 650 CE LYS A 43 -27.371 -5.764 7.346 1.00 0.00 C ATOM 651 NZ LYS A 43 -27.265 -6.030 8.798 1.00 0.00 N ATOM 0 H LYS A 43 -22.765 -5.994 3.325 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.649 -6.116 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.024 -5.756 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.280 -4.075 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.539 -4.133 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.731 -5.796 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.435 -6.526 6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.415 -4.857 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -27.968 -4.868 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.888 -6.589 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -28.217 -6.149 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.713 -6.898 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.790 -5.230 9.264 1.00 0.00 H new ATOM 665 N LEU A 44 -23.987 -3.465 2.048 1.00 0.00 N ATOM 666 CA LEU A 44 -24.073 -2.296 1.190 1.00 0.00 C ATOM 667 C LEU A 44 -23.609 -2.667 -0.220 1.00 0.00 C ATOM 668 O LEU A 44 -22.634 -3.398 -0.384 1.00 0.00 O ATOM 669 CB LEU A 44 -23.303 -1.124 1.803 1.00 0.00 C ATOM 670 CG LEU A 44 -23.454 -0.939 3.314 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.730 0.323 3.787 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.928 -0.941 3.722 1.00 0.00 C ATOM 0 H LEU A 44 -23.081 -3.599 2.497 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.107 -1.960 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.245 -1.253 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.625 -0.206 1.311 1.00 0.00 H new ATOM 0 HG LEU A 44 -22.981 -1.786 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.853 0.431 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.669 0.245 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.151 1.194 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.007 -0.808 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.446 -0.126 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.382 -1.891 3.439 1.00 0.00 H new ATOM 684 N LYS A 45 -24.329 -2.145 -1.202 1.00 0.00 N ATOM 685 CA LYS A 45 -24.004 -2.413 -2.592 1.00 0.00 C ATOM 686 C LYS A 45 -22.735 -1.646 -2.971 1.00 0.00 C ATOM 687 O LYS A 45 -21.960 -2.098 -3.813 1.00 0.00 O ATOM 688 CB LYS A 45 -25.201 -2.103 -3.493 1.00 0.00 C ATOM 689 CG LYS A 45 -26.378 -3.029 -3.178 1.00 0.00 C ATOM 690 CD LYS A 45 -26.155 -4.420 -3.776 1.00 0.00 C ATOM 691 CE LYS A 45 -27.435 -5.256 -3.713 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.435 -6.113 -2.507 1.00 0.00 N ATOM 0 H LYS A 45 -25.136 -1.538 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.793 -3.473 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.504 -1.065 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.913 -2.217 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.504 -3.109 -2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.299 -2.601 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.828 -4.326 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.357 -4.929 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -28.305 -4.599 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.516 -5.875 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.310 -6.674 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.615 -6.752 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.379 -5.516 -1.657 1.00 0.00 H new ATOM 706 N GLU A 46 -22.562 -0.498 -2.331 1.00 0.00 N ATOM 707 CA GLU A 46 -21.401 0.336 -2.590 1.00 0.00 C ATOM 708 C GLU A 46 -21.272 1.415 -1.514 1.00 0.00 C ATOM 709 O GLU A 46 -22.274 1.963 -1.056 1.00 0.00 O ATOM 710 CB GLU A 46 -21.474 0.959 -3.986 1.00 0.00 C ATOM 711 CG GLU A 46 -22.224 2.292 -3.953 1.00 0.00 C ATOM 712 CD GLU A 46 -22.880 2.586 -5.303 1.00 0.00 C ATOM 713 OE1 GLU A 46 -23.807 1.827 -5.660 1.00 0.00 O ATOM 714 OE2 GLU A 46 -22.440 3.562 -5.948 1.00 0.00 O ATOM 0 H GLU A 46 -23.207 -0.126 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.511 -0.293 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.467 1.114 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -21.975 0.273 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.985 2.266 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.533 3.096 -3.698 1.00 0.00 H new ATOM 721 N SER A 47 -20.031 1.689 -1.141 1.00 0.00 N ATOM 722 CA SER A 47 -19.758 2.693 -0.127 1.00 0.00 C ATOM 723 C SER A 47 -18.336 3.232 -0.294 1.00 0.00 C ATOM 724 O SER A 47 -17.525 2.644 -1.008 1.00 0.00 O ATOM 725 CB SER A 47 -19.947 2.122 1.279 1.00 0.00 C ATOM 726 OG SER A 47 -21.293 2.247 1.730 1.00 0.00 O ATOM 0 H SER A 47 -19.203 1.233 -1.523 1.00 0.00 H new ATOM 0 HA SER A 47 -20.467 3.510 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.659 1.071 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.283 2.638 1.972 1.00 0.00 H new ATOM 0 HG SER A 47 -21.901 2.189 0.964 1.00 0.00 H new ATOM 732 N CYS A 48 -18.076 4.345 0.377 1.00 0.00 N ATOM 733 CA CYS A 48 -16.766 4.970 0.312 1.00 0.00 C ATOM 734 C CYS A 48 -16.347 5.356 1.732 1.00 0.00 C ATOM 735 O CYS A 48 -17.174 5.801 2.527 1.00 0.00 O ATOM 736 CB CYS A 48 -16.760 6.174 -0.632 1.00 0.00 C ATOM 737 SG CYS A 48 -15.148 6.287 -1.492 1.00 0.00 S ATOM 0 H CYS A 48 -18.751 4.830 0.968 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.044 4.265 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.565 6.079 -1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.946 7.089 -0.069 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.223 7.173 -2.440 1.00 0.00 H new ATOM 743 N VAL A 49 -15.064 5.173 2.007 1.00 0.00 N ATOM 744 CA VAL A 49 -14.526 5.496 3.317 1.00 0.00 C ATOM 745 C VAL A 49 -13.096 6.019 3.161 1.00 0.00 C ATOM 746 O VAL A 49 -12.489 5.870 2.102 1.00 0.00 O ATOM 747 CB VAL A 49 -14.619 4.277 4.237 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.078 3.910 4.514 1.00 0.00 C ATOM 749 CG2 VAL A 49 -13.857 3.087 3.650 1.00 0.00 C ATOM 0 H VAL A 49 -14.381 4.805 1.345 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.113 6.286 3.786 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.152 4.538 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.116 3.040 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.579 4.750 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.579 3.678 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.939 2.234 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.281 2.826 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.807 3.352 3.527 1.00 0.00 H new ATOM 759 N ARG A 50 -12.601 6.621 4.232 1.00 0.00 N ATOM 760 CA ARG A 50 -11.254 7.167 4.227 1.00 0.00 C ATOM 761 C ARG A 50 -10.405 6.494 5.307 1.00 0.00 C ATOM 762 O ARG A 50 -10.617 6.717 6.498 1.00 0.00 O ATOM 763 CB ARG A 50 -11.271 8.678 4.470 1.00 0.00 C ATOM 764 CG ARG A 50 -10.833 9.439 3.217 1.00 0.00 C ATOM 765 CD ARG A 50 -11.090 10.940 3.370 1.00 0.00 C ATOM 766 NE ARG A 50 -12.010 11.406 2.309 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.423 12.674 2.176 1.00 0.00 C ATOM 768 NH1 ARG A 50 -12.000 13.610 3.037 1.00 0.00 N ATOM 769 NH2 ARG A 50 -13.259 13.007 1.183 1.00 0.00 N ATOM 0 H ARG A 50 -13.108 6.743 5.109 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.821 6.973 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.274 8.992 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.608 8.924 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.773 9.265 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.373 9.060 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.519 11.146 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.149 11.486 3.312 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.351 10.719 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.364 13.357 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.314 14.575 2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.582 12.295 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.573 13.972 1.083 1.00 0.00 H new ATOM 783 N ARG A 51 -9.460 5.684 4.852 1.00 0.00 N ATOM 784 CA ARG A 51 -8.578 4.977 5.765 1.00 0.00 C ATOM 785 C ARG A 51 -7.133 5.042 5.264 1.00 0.00 C ATOM 786 O ARG A 51 -6.894 5.134 4.061 1.00 0.00 O ATOM 787 CB ARG A 51 -8.995 3.512 5.910 1.00 0.00 C ATOM 788 CG ARG A 51 -9.062 3.105 7.383 1.00 0.00 C ATOM 789 CD ARG A 51 -10.409 3.492 7.998 1.00 0.00 C ATOM 790 NE ARG A 51 -10.342 3.382 9.472 1.00 0.00 N ATOM 791 CZ ARG A 51 -9.781 4.300 10.270 1.00 0.00 C ATOM 792 NH1 ARG A 51 -9.234 5.403 9.741 1.00 0.00 N ATOM 793 NH2 ARG A 51 -9.767 4.116 11.597 1.00 0.00 N ATOM 0 H ARG A 51 -9.286 5.502 3.864 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.651 5.462 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.967 3.359 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.284 2.874 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.912 2.029 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.255 3.587 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.669 4.511 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.195 2.842 7.612 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.749 2.555 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.245 5.543 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.807 6.102 10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.184 3.277 12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.340 4.815 12.204 1.00 0.00 H new ATOM 807 N ARG A 52 -6.209 4.991 6.212 1.00 0.00 N ATOM 808 CA ARG A 52 -4.795 5.042 5.881 1.00 0.00 C ATOM 809 C ARG A 52 -4.310 3.670 5.409 1.00 0.00 C ATOM 810 O ARG A 52 -4.930 2.651 5.709 1.00 0.00 O ATOM 811 CB ARG A 52 -3.963 5.482 7.088 1.00 0.00 C ATOM 812 CG ARG A 52 -4.432 6.841 7.611 1.00 0.00 C ATOM 813 CD ARG A 52 -3.624 7.264 8.839 1.00 0.00 C ATOM 814 NE ARG A 52 -4.080 6.510 10.029 1.00 0.00 N ATOM 815 CZ ARG A 52 -3.356 6.360 11.146 1.00 0.00 C ATOM 816 NH1 ARG A 52 -2.137 6.912 11.234 1.00 0.00 N ATOM 817 NH2 ARG A 52 -3.850 5.659 12.176 1.00 0.00 N ATOM 0 H ARG A 52 -6.412 4.915 7.209 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.668 5.771 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.042 4.737 7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.911 5.539 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.329 7.592 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.490 6.791 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.563 7.082 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.740 8.334 9.010 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.003 6.078 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.761 7.446 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.586 6.798 12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.777 5.240 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.299 5.545 13.026 1.00 0.00 H new ATOM 831 N TYR A 53 -3.205 3.688 4.677 1.00 0.00 N ATOM 832 CA TYR A 53 -2.630 2.459 4.160 1.00 0.00 C ATOM 833 C TYR A 53 -2.532 1.396 5.257 1.00 0.00 C ATOM 834 O TYR A 53 -2.864 0.233 5.030 1.00 0.00 O ATOM 835 CB TYR A 53 -1.219 2.818 3.689 1.00 0.00 C ATOM 836 CG TYR A 53 -0.270 1.622 3.597 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.476 1.247 4.696 1.00 0.00 C ATOM 838 CD2 TYR A 53 -0.159 0.919 2.415 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.369 0.121 4.609 1.00 0.00 C ATOM 840 CE2 TYR A 53 0.735 -0.207 2.328 1.00 0.00 C ATOM 841 CZ TYR A 53 1.455 -0.550 3.429 1.00 0.00 C ATOM 842 OH TYR A 53 2.299 -1.614 3.348 1.00 0.00 O ATOM 0 H TYR A 53 -2.693 4.535 4.430 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.248 2.054 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.284 3.293 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.795 3.553 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.390 1.798 5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.742 1.213 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.957 -0.184 5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.831 -0.766 1.409 1.00 0.00 H new ATOM 0 HH TYR A 53 2.257 -1.997 2.447 1.00 0.00 H new ATOM 852 N SER A 54 -2.076 1.833 6.421 1.00 0.00 N ATOM 853 CA SER A 54 -1.931 0.933 7.553 1.00 0.00 C ATOM 854 C SER A 54 -3.201 0.097 7.723 1.00 0.00 C ATOM 855 O SER A 54 -3.150 -1.015 8.247 1.00 0.00 O ATOM 856 CB SER A 54 -1.630 1.709 8.838 1.00 0.00 C ATOM 857 OG SER A 54 -0.311 2.246 8.840 1.00 0.00 O ATOM 0 H SER A 54 -1.802 2.798 6.605 1.00 0.00 H new ATOM 0 HA SER A 54 -1.090 0.268 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.351 2.519 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.754 1.050 9.697 1.00 0.00 H new ATOM 0 HG SER A 54 -0.158 2.735 9.675 1.00 0.00 H new ATOM 863 N ASP A 55 -4.310 0.664 7.271 1.00 0.00 N ATOM 864 CA ASP A 55 -5.590 -0.016 7.366 1.00 0.00 C ATOM 865 C ASP A 55 -5.491 -1.380 6.680 1.00 0.00 C ATOM 866 O ASP A 55 -6.094 -2.352 7.133 1.00 0.00 O ATOM 867 CB ASP A 55 -6.692 0.785 6.669 1.00 0.00 C ATOM 868 CG ASP A 55 -6.726 0.649 5.146 1.00 0.00 C ATOM 869 OD1 ASP A 55 -5.628 0.677 4.549 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.848 0.520 4.612 1.00 0.00 O ATOM 0 H ASP A 55 -4.348 1.587 6.838 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.836 -0.125 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.656 0.471 7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.570 1.838 6.922 1.00 0.00 H new ATOM 875 N PHE A 56 -4.726 -1.408 5.599 1.00 0.00 N ATOM 876 CA PHE A 56 -4.541 -2.637 4.846 1.00 0.00 C ATOM 877 C PHE A 56 -3.633 -3.611 5.600 1.00 0.00 C ATOM 878 O PHE A 56 -3.968 -4.784 5.754 1.00 0.00 O ATOM 879 CB PHE A 56 -3.872 -2.255 3.524 1.00 0.00 C ATOM 880 CG PHE A 56 -4.823 -1.626 2.504 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.655 -2.416 1.773 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.837 -0.278 2.327 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.538 -1.833 0.826 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.720 0.305 1.380 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.552 -0.485 0.650 1.00 0.00 C ATOM 0 H PHE A 56 -4.227 -0.600 5.227 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.503 -3.126 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.061 -1.556 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.423 -3.146 3.085 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.644 -3.487 1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.176 0.350 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.198 -2.460 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.731 1.376 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.224 -0.041 -0.070 1.00 0.00 H new ATOM 895 N GLU A 57 -2.502 -3.088 6.050 1.00 0.00 N ATOM 896 CA GLU A 57 -1.544 -3.896 6.785 1.00 0.00 C ATOM 897 C GLU A 57 -2.244 -4.654 7.914 1.00 0.00 C ATOM 898 O GLU A 57 -1.773 -5.705 8.346 1.00 0.00 O ATOM 899 CB GLU A 57 -0.402 -3.034 7.328 1.00 0.00 C ATOM 900 CG GLU A 57 0.826 -3.115 6.420 1.00 0.00 C ATOM 901 CD GLU A 57 2.117 -2.987 7.231 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.402 -3.932 7.997 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.790 -1.947 7.066 1.00 0.00 O ATOM 0 H GLU A 57 -2.228 -2.114 5.920 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.111 -4.624 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.731 -1.998 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.138 -3.365 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.823 -4.063 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.782 -2.324 5.672 1.00 0.00 H new ATOM 910 N TRP A 58 -3.358 -4.091 8.360 1.00 0.00 N ATOM 911 CA TRP A 58 -4.128 -4.701 9.430 1.00 0.00 C ATOM 912 C TRP A 58 -5.063 -5.740 8.808 1.00 0.00 C ATOM 913 O TRP A 58 -5.052 -6.905 9.201 1.00 0.00 O ATOM 914 CB TRP A 58 -4.870 -3.640 10.245 1.00 0.00 C ATOM 915 CG TRP A 58 -5.732 -4.212 11.373 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.412 -4.346 12.667 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.076 -4.723 11.254 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.448 -4.905 13.388 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.492 -5.141 12.501 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.913 -4.829 10.129 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.755 -5.694 12.743 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.172 -5.383 10.387 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.606 -5.809 11.637 1.00 0.00 C ATOM 0 H TRP A 58 -3.745 -3.219 7.999 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.471 -5.205 10.139 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.142 -2.950 10.672 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.505 -3.060 9.575 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.463 -4.054 13.092 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.448 -5.108 14.388 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.608 -4.508 9.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.057 -6.015 13.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.854 -5.487 9.556 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.595 -6.227 11.755 1.00 0.00 H new ATOM 934 N LEU A 59 -5.850 -5.280 7.846 1.00 0.00 N ATOM 935 CA LEU A 59 -6.790 -6.154 7.166 1.00 0.00 C ATOM 936 C LEU A 59 -6.055 -7.404 6.677 1.00 0.00 C ATOM 937 O LEU A 59 -6.528 -8.523 6.873 1.00 0.00 O ATOM 938 CB LEU A 59 -7.519 -5.396 6.054 1.00 0.00 C ATOM 939 CG LEU A 59 -7.603 -6.106 4.702 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.633 -7.236 4.739 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.886 -5.109 3.576 1.00 0.00 C ATOM 0 H LEU A 59 -5.856 -4.313 7.522 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.566 -6.488 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.532 -5.181 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.021 -4.437 5.908 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.634 -6.560 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.673 -7.724 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.347 -7.964 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.614 -6.826 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.941 -5.640 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.834 -4.605 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.085 -4.371 3.534 1.00 0.00 H new ATOM 953 N LYS A 60 -4.911 -7.172 6.051 1.00 0.00 N ATOM 954 CA LYS A 60 -4.106 -8.265 5.533 1.00 0.00 C ATOM 955 C LYS A 60 -3.701 -9.185 6.686 1.00 0.00 C ATOM 956 O LYS A 60 -4.103 -10.347 6.729 1.00 0.00 O ATOM 957 CB LYS A 60 -2.920 -7.724 4.732 1.00 0.00 C ATOM 958 CG LYS A 60 -1.726 -8.679 4.807 1.00 0.00 C ATOM 959 CD LYS A 60 -0.727 -8.397 3.684 1.00 0.00 C ATOM 960 CE LYS A 60 0.285 -9.536 3.552 1.00 0.00 C ATOM 961 NZ LYS A 60 1.587 -9.144 4.137 1.00 0.00 N ATOM 0 H LYS A 60 -4.522 -6.243 5.891 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.686 -8.867 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.213 -7.584 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.632 -6.746 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.232 -8.574 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.075 -9.709 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.260 -8.268 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.204 -7.462 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.093 -10.426 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.415 -9.795 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.262 -9.929 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.954 -8.308 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.461 -8.920 5.145 1.00 0.00 H new ATOM 975 N ASN A 61 -2.909 -8.631 7.593 1.00 0.00 N ATOM 976 CA ASN A 61 -2.445 -9.387 8.744 1.00 0.00 C ATOM 977 C ASN A 61 -3.632 -10.109 9.387 1.00 0.00 C ATOM 978 O ASN A 61 -3.498 -11.241 9.848 1.00 0.00 O ATOM 979 CB ASN A 61 -1.826 -8.465 9.796 1.00 0.00 C ATOM 980 CG ASN A 61 -0.829 -9.225 10.673 1.00 0.00 C ATOM 981 OD1 ASN A 61 -0.373 -10.307 10.344 1.00 0.00 O ATOM 982 ND2 ASN A 61 -0.518 -8.600 11.805 1.00 0.00 N ATOM 0 H ASN A 61 -2.577 -7.667 7.554 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.693 -10.097 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.322 -7.633 9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.612 -8.039 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.139 -9.026 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.937 -7.695 12.019 1.00 0.00 H new ATOM 989 N GLU A 62 -4.766 -9.423 9.396 1.00 0.00 N ATOM 990 CA GLU A 62 -5.974 -9.985 9.975 1.00 0.00 C ATOM 991 C GLU A 62 -6.242 -11.376 9.398 1.00 0.00 C ATOM 992 O GLU A 62 -6.906 -12.197 10.030 1.00 0.00 O ATOM 993 CB GLU A 62 -7.171 -9.058 9.750 1.00 0.00 C ATOM 994 CG GLU A 62 -7.610 -8.401 11.060 1.00 0.00 C ATOM 995 CD GLU A 62 -8.111 -9.448 12.057 1.00 0.00 C ATOM 996 OE1 GLU A 62 -9.248 -9.926 11.855 1.00 0.00 O ATOM 997 OE2 GLU A 62 -7.346 -9.746 12.999 1.00 0.00 O ATOM 0 H GLU A 62 -4.873 -8.484 9.012 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.827 -10.082 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.908 -8.289 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.000 -9.625 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.774 -7.851 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.399 -7.676 10.861 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.712 -11.600 8.205 1.00 0.00 N ATOM 1005 CA LEU A 63 -5.885 -12.878 7.536 1.00 0.00 C ATOM 1006 C LEU A 63 -4.637 -13.736 7.754 1.00 0.00 C ATOM 1007 O LEU A 63 -4.727 -14.960 7.833 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.237 -12.668 6.062 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.484 -11.826 5.784 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.398 -11.155 4.412 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.756 -12.663 5.934 1.00 0.00 C ATOM 0 H LEU A 63 -5.162 -10.917 7.684 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.726 -13.422 7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.387 -12.196 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.372 -13.645 5.598 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.532 -11.031 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.297 -10.563 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.523 -10.505 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.312 -11.918 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.627 -12.040 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.731 -13.493 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.817 -13.053 6.950 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.501 -13.059 7.845 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.237 -13.744 8.052 1.00 0.00 C ATOM 1025 C GLU A 64 -2.185 -14.350 9.456 1.00 0.00 C ATOM 1026 O GLU A 64 -1.690 -15.462 9.638 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.057 -12.799 7.819 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.062 -12.258 6.388 1.00 0.00 C ATOM 1029 CD GLU A 64 0.363 -12.121 5.848 1.00 0.00 C ATOM 1030 OE1 GLU A 64 1.164 -11.443 6.526 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.618 -12.698 4.769 1.00 0.00 O ATOM 0 H GLU A 64 -3.430 -12.044 7.779 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.161 -14.553 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.105 -11.970 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.122 -13.326 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.636 -12.926 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.559 -11.288 6.364 1.00 0.00 H new ATOM 1107 N ILE A 69 -6.392 -18.729 3.858 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.637 -17.719 2.843 1.00 0.00 C ATOM 1109 C ILE A 69 -5.299 -17.219 2.294 1.00 0.00 C ATOM 1110 O ILE A 69 -4.335 -17.066 3.043 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.528 -16.606 3.397 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.900 -17.151 3.800 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.641 -15.447 2.404 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.914 -16.017 3.963 1.00 0.00 C ATOM 0 HA ILE A 69 -7.187 -18.148 2.005 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.060 -16.212 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.253 -17.853 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.815 -17.705 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.280 -14.670 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.650 -15.036 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.073 -15.808 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.881 -16.432 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.570 -15.330 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.015 -15.481 3.020 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.283 -16.979 0.991 1.00 0.00 N ATOM 1127 CA VAL A 70 -4.079 -16.499 0.333 1.00 0.00 C ATOM 1128 C VAL A 70 -4.164 -14.981 0.166 1.00 0.00 C ATOM 1129 O VAL A 70 -4.848 -14.489 -0.731 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.878 -17.237 -0.992 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.705 -16.645 -1.776 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.682 -18.736 -0.761 1.00 0.00 C ATOM 0 H VAL A 70 -6.084 -17.108 0.373 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.200 -16.709 0.943 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.781 -17.106 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.583 -17.187 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.902 -15.594 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.793 -16.731 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.541 -19.236 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.804 -18.896 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.561 -19.145 -0.263 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.461 -14.280 1.043 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.449 -12.828 1.003 1.00 0.00 C ATOM 1144 C VAL A 71 -2.354 -12.357 0.044 1.00 0.00 C ATOM 1145 O VAL A 71 -1.247 -12.895 0.047 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.286 -12.267 2.418 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.587 -10.767 2.451 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.166 -13.026 3.413 1.00 0.00 C ATOM 0 H VAL A 71 -2.895 -14.691 1.786 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.398 -12.449 0.624 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.247 -12.406 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.464 -10.393 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.900 -10.243 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.612 -10.594 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.031 -12.608 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.211 -12.933 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.883 -14.079 3.420 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.709 -11.332 -0.775 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.770 -10.783 -1.738 1.00 0.00 C ATOM 1160 C PRO A 72 -0.721 -9.910 -1.045 1.00 0.00 C ATOM 1161 O PRO A 72 -0.880 -9.550 0.121 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.626 -10.008 -2.727 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.953 -9.764 -2.026 1.00 0.00 C ATOM 1164 CD PRO A 72 -4.010 -10.670 -0.807 1.00 0.00 C ATOM 0 HA PRO A 72 -1.194 -11.555 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.150 -9.067 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.769 -10.574 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.041 -8.719 -1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.784 -9.976 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.185 -10.098 0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.821 -11.394 -0.889 1.00 0.00 H new ATOM 1172 N PRO A 73 0.356 -9.588 -1.810 1.00 0.00 N ATOM 1173 CA PRO A 73 1.430 -8.765 -1.282 1.00 0.00 C ATOM 1174 C PRO A 73 1.006 -7.297 -1.198 1.00 0.00 C ATOM 1175 O PRO A 73 0.231 -6.823 -2.027 1.00 0.00 O ATOM 1176 CB PRO A 73 2.600 -8.992 -2.225 1.00 0.00 C ATOM 1177 CG PRO A 73 2.002 -9.564 -3.500 1.00 0.00 C ATOM 1178 CD PRO A 73 0.578 -9.996 -3.194 1.00 0.00 C ATOM 0 HA PRO A 73 1.701 -9.032 -0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.127 -8.059 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.324 -9.681 -1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.012 -8.818 -4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.591 -10.411 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.134 -9.518 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.456 -11.073 -3.314 1.00 0.00 H new ATOM 1186 N LEU A 74 1.533 -6.618 -0.190 1.00 0.00 N ATOM 1187 CA LEU A 74 1.219 -5.214 0.013 1.00 0.00 C ATOM 1188 C LEU A 74 2.294 -4.354 -0.653 1.00 0.00 C ATOM 1189 O LEU A 74 3.443 -4.776 -0.777 1.00 0.00 O ATOM 1190 CB LEU A 74 1.030 -4.917 1.502 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.380 -5.133 2.055 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.384 -5.079 3.584 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.367 -4.137 1.444 1.00 0.00 C ATOM 0 H LEU A 74 2.176 -7.014 0.496 1.00 0.00 H new ATOM 0 HA LEU A 74 0.270 -4.964 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.720 -5.543 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.316 -3.881 1.685 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.710 -6.131 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.398 -5.235 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.268 -5.859 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.025 -4.104 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.362 -4.312 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.051 -3.121 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.392 -4.267 0.362 1.00 0.00 H new ATOM 1205 N PRO A 75 1.872 -3.133 -1.077 1.00 0.00 N ATOM 1206 CA PRO A 75 2.786 -2.209 -1.728 1.00 0.00 C ATOM 1207 C PRO A 75 3.734 -1.568 -0.712 1.00 0.00 C ATOM 1208 O PRO A 75 3.304 -0.795 0.142 1.00 0.00 O ATOM 1209 CB PRO A 75 1.892 -1.198 -2.426 1.00 0.00 C ATOM 1210 CG PRO A 75 0.530 -1.317 -1.762 1.00 0.00 C ATOM 1211 CD PRO A 75 0.519 -2.600 -0.947 1.00 0.00 C ATOM 0 HA PRO A 75 3.443 -2.702 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.290 -0.188 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.826 -1.407 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.341 -0.456 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.260 -1.335 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.269 -2.405 0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.222 -3.304 -1.326 1.00 0.00 H new ATOM 1219 N GLY A 76 5.007 -1.914 -0.839 1.00 0.00 N ATOM 1220 CA GLY A 76 6.019 -1.381 0.057 1.00 0.00 C ATOM 1221 C GLY A 76 6.251 -2.321 1.242 1.00 0.00 C ATOM 1222 O GLY A 76 5.314 -2.660 1.963 1.00 0.00 O ATOM 0 H GLY A 76 5.360 -2.556 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.953 -1.238 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.709 -0.401 0.420 1.00 0.00 H new ATOM 1512 N GLU A 94 3.841 12.780 -6.082 1.00 0.00 N ATOM 1513 CA GLU A 94 2.663 12.357 -6.819 1.00 0.00 C ATOM 1514 C GLU A 94 2.792 10.888 -7.229 1.00 0.00 C ATOM 1515 O GLU A 94 1.874 10.098 -7.017 1.00 0.00 O ATOM 1516 CB GLU A 94 2.431 13.248 -8.041 1.00 0.00 C ATOM 1517 CG GLU A 94 1.550 14.448 -7.685 1.00 0.00 C ATOM 1518 CD GLU A 94 0.154 14.303 -8.296 1.00 0.00 C ATOM 1519 OE1 GLU A 94 -0.556 13.365 -7.873 1.00 0.00 O ATOM 1520 OE2 GLU A 94 -0.171 15.134 -9.171 1.00 0.00 O ATOM 0 HA GLU A 94 1.796 12.458 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.388 13.597 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.959 12.668 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.469 14.536 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.015 15.365 -8.046 1.00 0.00 H new ATOM 1527 N SER A 95 3.940 10.568 -7.808 1.00 0.00 N ATOM 1528 CA SER A 95 4.202 9.208 -8.249 1.00 0.00 C ATOM 1529 C SER A 95 4.121 8.248 -7.061 1.00 0.00 C ATOM 1530 O SER A 95 3.312 7.322 -7.061 1.00 0.00 O ATOM 1531 CB SER A 95 5.570 9.102 -8.925 1.00 0.00 C ATOM 1532 OG SER A 95 6.616 9.599 -8.095 1.00 0.00 O ATOM 0 H SER A 95 4.699 11.227 -7.982 1.00 0.00 H new ATOM 0 HA SER A 95 3.443 8.934 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.770 8.060 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.555 9.659 -9.862 1.00 0.00 H new ATOM 0 HG SER A 95 7.473 9.512 -8.562 1.00 0.00 H new ATOM 1538 N PHE A 96 4.971 8.502 -6.077 1.00 0.00 N ATOM 1539 CA PHE A 96 5.006 7.672 -4.885 1.00 0.00 C ATOM 1540 C PHE A 96 3.592 7.306 -4.430 1.00 0.00 C ATOM 1541 O PHE A 96 3.255 6.127 -4.325 1.00 0.00 O ATOM 1542 CB PHE A 96 5.686 8.493 -3.787 1.00 0.00 C ATOM 1543 CG PHE A 96 5.844 7.748 -2.460 1.00 0.00 C ATOM 1544 CD1 PHE A 96 6.758 6.748 -2.347 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.070 8.086 -1.394 1.00 0.00 C ATOM 1546 CE1 PHE A 96 6.905 6.056 -1.115 1.00 0.00 C ATOM 1547 CE2 PHE A 96 5.217 7.395 -0.163 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.131 6.394 -0.049 1.00 0.00 C ATOM 0 H PHE A 96 5.641 9.271 -6.081 1.00 0.00 H new ATOM 0 HA PHE A 96 5.543 6.746 -5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.670 8.804 -4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.108 9.401 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.372 6.480 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.344 8.880 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.631 5.262 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.603 7.664 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.242 5.868 0.888 1.00 0.00 H new ATOM 1558 N ILE A 97 2.802 8.338 -4.172 1.00 0.00 N ATOM 1559 CA ILE A 97 1.432 8.139 -3.730 1.00 0.00 C ATOM 1560 C ILE A 97 0.712 7.216 -4.715 1.00 0.00 C ATOM 1561 O ILE A 97 0.121 6.214 -4.314 1.00 0.00 O ATOM 1562 CB ILE A 97 0.734 9.486 -3.528 1.00 0.00 C ATOM 1563 CG1 ILE A 97 1.071 10.077 -2.157 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -0.775 9.359 -3.742 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.918 11.600 -2.164 1.00 0.00 C ATOM 0 H ILE A 97 3.084 9.314 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 97 1.413 7.646 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 97 1.108 10.181 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.416 9.646 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.092 9.812 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.247 10.330 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.971 9.013 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.185 8.643 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.163 11.995 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.592 12.030 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.110 11.861 -2.414 1.00 0.00 H new ATOM 1577 N GLU A 98 0.786 7.585 -5.985 1.00 0.00 N ATOM 1578 CA GLU A 98 0.149 6.802 -7.030 1.00 0.00 C ATOM 1579 C GLU A 98 0.528 5.326 -6.893 1.00 0.00 C ATOM 1580 O GLU A 98 -0.341 4.455 -6.898 1.00 0.00 O ATOM 1581 CB GLU A 98 0.516 7.336 -8.416 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.693 7.304 -9.354 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.367 7.970 -10.692 1.00 0.00 C ATOM 1584 OE1 GLU A 98 -0.442 9.217 -10.739 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.049 7.217 -11.638 1.00 0.00 O ATOM 0 H GLU A 98 1.277 8.416 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.931 6.892 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.887 8.357 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.324 6.738 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.000 6.272 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.535 7.814 -8.886 1.00 0.00 H new ATOM 1592 N GLU A 99 1.826 5.089 -6.775 1.00 0.00 N ATOM 1593 CA GLU A 99 2.330 3.734 -6.638 1.00 0.00 C ATOM 1594 C GLU A 99 1.507 2.964 -5.603 1.00 0.00 C ATOM 1595 O GLU A 99 0.912 1.935 -5.919 1.00 0.00 O ATOM 1596 CB GLU A 99 3.815 3.736 -6.266 1.00 0.00 C ATOM 1597 CG GLU A 99 4.614 2.820 -7.195 1.00 0.00 C ATOM 1598 CD GLU A 99 5.410 1.788 -6.395 1.00 0.00 C ATOM 1599 OE1 GLU A 99 6.000 2.195 -5.371 1.00 0.00 O ATOM 1600 OE2 GLU A 99 5.411 0.614 -6.825 1.00 0.00 O ATOM 0 H GLU A 99 2.544 5.813 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 99 2.231 3.231 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.207 4.751 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.935 3.407 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.936 2.310 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.294 3.417 -7.804 1.00 0.00 H new ATOM 1607 N ARG A 100 1.500 3.492 -4.387 1.00 0.00 N ATOM 1608 CA ARG A 100 0.760 2.867 -3.304 1.00 0.00 C ATOM 1609 C ARG A 100 -0.728 2.796 -3.651 1.00 0.00 C ATOM 1610 O ARG A 100 -1.362 1.757 -3.470 1.00 0.00 O ATOM 1611 CB ARG A 100 0.936 3.643 -1.998 1.00 0.00 C ATOM 1612 CG ARG A 100 0.819 2.714 -0.788 1.00 0.00 C ATOM 1613 CD ARG A 100 1.721 3.185 0.355 1.00 0.00 C ATOM 1614 NE ARG A 100 3.143 3.046 -0.032 1.00 0.00 N ATOM 1615 CZ ARG A 100 4.172 3.244 0.803 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.943 3.591 2.077 1.00 0.00 N ATOM 1617 NH2 ARG A 100 5.429 3.095 0.364 1.00 0.00 N ATOM 0 H ARG A 100 1.995 4.345 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 100 1.154 1.860 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.909 4.134 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.182 4.428 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.216 2.681 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.092 1.699 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.502 4.225 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.521 2.599 1.252 1.00 0.00 H new ATOM 0 HE ARG A 100 3.353 2.783 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.986 3.704 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.726 3.742 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.603 2.831 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.212 3.246 1.000 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.243 3.914 -4.142 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.645 3.991 -4.515 1.00 0.00 C ATOM 1633 C ARG A 101 -3.067 2.723 -5.261 1.00 0.00 C ATOM 1634 O ARG A 101 -3.823 1.910 -4.733 1.00 0.00 O ATOM 1635 CB ARG A 101 -2.913 5.209 -5.401 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.147 5.976 -4.921 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.125 7.421 -5.424 1.00 0.00 C ATOM 1638 NE ARG A 101 -4.813 7.512 -6.731 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.630 8.508 -7.608 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -3.779 9.504 -7.323 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -5.297 8.509 -8.770 1.00 0.00 N ATOM 0 H ARG A 101 -0.714 4.774 -4.290 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.227 4.088 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.045 5.868 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.059 4.888 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.050 5.478 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.184 5.967 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.613 8.074 -4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.095 7.766 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.467 6.770 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.271 9.503 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.640 10.262 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.944 7.751 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.157 9.268 -9.437 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.559 2.595 -6.478 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.873 1.440 -7.302 1.00 0.00 C ATOM 1657 C GLN A 102 -2.575 0.148 -6.540 1.00 0.00 C ATOM 1658 O GLN A 102 -3.412 -0.752 -6.484 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.106 1.486 -8.625 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.659 2.580 -9.542 1.00 0.00 C ATOM 1661 CD GLN A 102 -1.891 2.626 -10.864 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -1.956 1.723 -11.682 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.163 3.727 -11.028 1.00 0.00 N ATOM 0 H GLN A 102 -1.932 3.272 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.937 1.463 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.049 1.669 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.175 0.519 -9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.716 2.396 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.590 3.547 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.153 4.445 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.615 3.854 -11.879 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.379 0.095 -5.972 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.960 -1.072 -5.216 1.00 0.00 C ATOM 1674 C GLY A 103 -2.118 -1.635 -4.389 1.00 0.00 C ATOM 1675 O GLY A 103 -2.592 -2.739 -4.649 1.00 0.00 O ATOM 0 H GLY A 103 -0.687 0.842 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.590 -1.838 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.134 -0.805 -4.557 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.539 -0.848 -3.409 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.632 -1.254 -2.542 1.00 0.00 C ATOM 1681 C LEU A 104 -4.817 -1.704 -3.399 1.00 0.00 C ATOM 1682 O LEU A 104 -5.237 -2.858 -3.327 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.977 -0.136 -1.556 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.861 0.274 -0.592 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.243 1.538 0.181 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.492 -0.879 0.342 1.00 0.00 C ATOM 0 H LEU A 104 -2.143 0.068 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.337 -2.107 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.280 0.743 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.841 -0.449 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.973 0.510 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.434 1.808 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.417 2.354 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.151 1.353 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.697 -0.561 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.367 -1.170 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.149 -1.729 -0.248 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.323 -0.769 -4.191 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.451 -1.055 -5.061 1.00 0.00 C ATOM 1700 C GLU A 105 -6.327 -2.463 -5.646 1.00 0.00 C ATOM 1701 O GLU A 105 -7.282 -3.237 -5.620 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.567 -0.008 -6.171 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.004 0.087 -6.687 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.030 0.298 -8.202 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.577 1.381 -8.632 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.501 -0.629 -8.896 1.00 0.00 O ATOM 0 H GLU A 105 -4.972 0.187 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.364 -1.009 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.247 0.964 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.898 -0.267 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.546 -0.824 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.518 0.911 -6.193 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.140 -2.753 -6.160 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.879 -4.055 -6.751 1.00 0.00 C ATOM 1715 C GLN A 106 -5.008 -5.153 -5.694 1.00 0.00 C ATOM 1716 O GLN A 106 -5.793 -6.086 -5.856 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.499 -4.089 -7.412 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.614 -3.927 -8.929 1.00 0.00 C ATOM 1719 CD GLN A 106 -3.352 -5.255 -9.643 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.232 -5.591 -9.992 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -4.444 -5.987 -9.841 1.00 0.00 N ATOM 0 H GLN A 106 -4.349 -2.109 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.622 -4.237 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.876 -3.293 -7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.004 -5.032 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.609 -3.562 -9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.901 -3.178 -9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.351 -5.646 -9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.375 -6.890 -10.311 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.226 -5.006 -4.635 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.243 -5.974 -3.551 1.00 0.00 C ATOM 1732 C PHE A 107 -5.678 -6.348 -3.173 1.00 0.00 C ATOM 1733 O PHE A 107 -6.056 -7.516 -3.238 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.567 -5.311 -2.349 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.894 -5.973 -1.009 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.992 -5.582 -0.307 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.088 -6.952 -0.519 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.295 -6.196 0.937 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.391 -7.566 0.725 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.489 -7.175 1.427 1.00 0.00 C ATOM 0 H PHE A 107 -3.576 -4.231 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.727 -6.884 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.487 -5.328 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.867 -4.264 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.633 -4.805 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.217 -7.263 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.166 -5.885 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.750 -8.343 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.720 -7.642 2.373 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.437 -5.333 -2.785 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.822 -5.541 -2.396 1.00 0.00 C ATOM 1752 C ILE A 108 -8.598 -6.120 -3.581 1.00 0.00 C ATOM 1753 O ILE A 108 -9.389 -7.047 -3.414 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.422 -4.247 -1.841 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.726 -4.526 -1.091 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.609 -3.210 -2.950 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.447 -5.132 0.286 1.00 0.00 C ATOM 0 H ILE A 108 -6.119 -4.365 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.886 -6.268 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.720 -3.825 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.290 -3.600 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.346 -5.207 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.037 -2.300 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.643 -2.982 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.280 -3.608 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.390 -5.321 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.904 -6.070 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.847 -4.438 0.874 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.344 -5.550 -4.749 1.00 0.00 N ATOM 1770 CA ASN A 109 -9.010 -5.999 -5.961 1.00 0.00 C ATOM 1771 C ASN A 109 -8.941 -7.525 -6.040 1.00 0.00 C ATOM 1772 O ASN A 109 -9.921 -8.176 -6.400 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.328 -5.430 -7.207 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.203 -4.368 -7.874 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.825 -4.593 -8.899 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.217 -3.200 -7.238 1.00 0.00 N ATOM 0 H ASN A 109 -7.687 -4.782 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 109 -10.043 -5.654 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.367 -4.995 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.124 -6.234 -7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.772 -2.426 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.673 -3.078 -6.384 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.775 -8.052 -5.697 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.566 -9.490 -5.724 1.00 0.00 C ATOM 1785 C LYS A 110 -8.095 -10.102 -4.426 1.00 0.00 C ATOM 1786 O LYS A 110 -8.745 -11.146 -4.448 1.00 0.00 O ATOM 1787 CB LYS A 110 -6.097 -9.812 -6.003 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.905 -10.300 -7.440 1.00 0.00 C ATOM 1789 CD LYS A 110 -5.131 -11.619 -7.473 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.800 -11.456 -8.208 1.00 0.00 C ATOM 1791 NZ LYS A 110 -3.866 -12.084 -9.547 1.00 0.00 N ATOM 0 H LYS A 110 -6.965 -7.509 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.128 -9.942 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.488 -8.924 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.750 -10.575 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.877 -10.433 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.369 -9.545 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.948 -11.963 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.731 -12.384 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.560 -10.397 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.998 -11.911 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.954 -11.964 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.073 -13.098 -9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.617 -11.632 -10.106 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.795 -9.428 -3.326 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.233 -9.893 -2.020 1.00 0.00 C ATOM 1807 C ILE A 111 -9.750 -10.084 -2.034 1.00 0.00 C ATOM 1808 O ILE A 111 -10.268 -11.016 -1.419 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.742 -8.946 -0.923 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.982 -9.712 0.162 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.900 -8.131 -0.344 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.898 -10.047 1.341 1.00 0.00 C ATOM 0 H ILE A 111 -7.254 -8.563 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.792 -10.863 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.042 -8.239 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.571 -10.631 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.139 -9.116 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.524 -7.466 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.360 -7.540 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.642 -8.806 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.333 -10.591 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.288 -9.125 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.727 -10.664 0.994 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.422 -9.188 -2.742 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.870 -9.247 -2.843 1.00 0.00 C ATOM 1826 C ALA A 112 -12.274 -10.536 -3.561 1.00 0.00 C ATOM 1827 O ALA A 112 -12.962 -11.380 -2.989 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.383 -7.996 -3.559 1.00 0.00 C ATOM 0 H ALA A 112 -9.990 -8.417 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.324 -9.265 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.469 -8.040 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.094 -7.109 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.951 -7.946 -4.559 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.830 -10.648 -4.804 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.137 -11.820 -5.606 1.00 0.00 C ATOM 1836 C GLY A 113 -12.108 -13.090 -4.754 1.00 0.00 C ATOM 1837 O GLY A 113 -12.843 -14.039 -5.023 1.00 0.00 O ATOM 0 H GLY A 113 -11.260 -9.946 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.121 -11.706 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.417 -11.907 -6.420 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.252 -13.067 -3.743 1.00 0.00 N ATOM 1842 CA HIS A 114 -11.118 -14.205 -2.850 1.00 0.00 C ATOM 1843 C HIS A 114 -12.470 -14.512 -2.203 1.00 0.00 C ATOM 1844 O HIS A 114 -13.108 -13.624 -1.639 1.00 0.00 O ATOM 1845 CB HIS A 114 -10.011 -13.961 -1.822 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.220 -15.198 -1.468 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.659 -16.130 -0.544 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -8.014 -15.645 -1.922 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.751 -17.090 -0.454 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.732 -16.788 -1.309 1.00 0.00 N ATOM 0 H HIS A 114 -10.644 -12.278 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.819 -15.085 -3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.329 -13.204 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.456 -13.554 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.394 -15.152 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.807 -17.959 0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.892 -17.348 -1.453 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.878 -15.805 -2.309 1.00 0.00 N ATOM 1859 CA PRO A 115 -14.143 -16.240 -1.741 1.00 0.00 C ATOM 1860 C PRO A 115 -14.048 -16.359 -0.219 1.00 0.00 C ATOM 1861 O PRO A 115 -14.988 -16.011 0.494 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.445 -17.565 -2.422 1.00 0.00 C ATOM 1863 CG PRO A 115 -13.124 -18.049 -2.997 1.00 0.00 C ATOM 1864 CD PRO A 115 -12.148 -16.883 -2.970 1.00 0.00 C ATOM 0 HA PRO A 115 -14.949 -15.526 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.849 -18.286 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.190 -17.439 -3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.737 -18.884 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.261 -18.409 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.240 -17.139 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.845 -16.597 -3.977 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.904 -16.851 0.235 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.675 -17.019 1.660 1.00 0.00 C ATOM 1874 C LEU A 116 -12.755 -15.656 2.350 1.00 0.00 C ATOM 1875 O LEU A 116 -13.287 -15.545 3.453 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.357 -17.757 1.906 1.00 0.00 C ATOM 1877 CG LEU A 116 -11.125 -19.014 1.066 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -10.106 -19.939 1.734 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.445 -19.731 0.775 1.00 0.00 C ATOM 0 H LEU A 116 -12.126 -17.138 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.452 -17.644 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.536 -17.064 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.310 -18.034 2.959 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.705 -18.711 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.959 -20.825 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.157 -19.414 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.474 -20.238 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.251 -20.621 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.916 -20.021 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.109 -19.063 0.227 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.218 -14.653 1.671 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.223 -13.301 2.205 1.00 0.00 C ATOM 1893 C ALA A 117 -13.640 -12.730 2.124 1.00 0.00 C ATOM 1894 O ALA A 117 -14.123 -12.120 3.077 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.205 -12.448 1.444 1.00 0.00 C ATOM 0 H ALA A 117 -11.777 -14.749 0.756 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.928 -13.301 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.208 -11.434 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.211 -12.880 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.470 -12.422 0.387 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.266 -12.947 0.977 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.618 -12.461 0.759 1.00 0.00 C ATOM 1903 C GLN A 118 -16.517 -12.847 1.935 1.00 0.00 C ATOM 1904 O GLN A 118 -17.521 -12.186 2.197 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.185 -12.990 -0.560 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.760 -12.105 -1.734 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.358 -12.612 -3.048 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.355 -13.315 -3.075 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.696 -12.217 -4.131 1.00 0.00 N ATOM 0 H GLN A 118 -13.862 -13.453 0.189 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.586 -11.373 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.839 -14.010 -0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.273 -13.027 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.082 -11.079 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.673 -12.090 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.868 -11.629 -4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.016 -12.502 -5.057 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.124 -13.916 2.613 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.882 -14.397 3.756 1.00 0.00 C ATOM 1920 C ASN A 119 -16.354 -13.732 5.029 1.00 0.00 C ATOM 1921 O ASN A 119 -17.132 -13.356 5.905 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.733 -15.911 3.917 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.746 -16.458 4.924 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -17.439 -16.712 6.078 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -18.968 -16.624 4.426 1.00 0.00 N ATOM 0 H ASN A 119 -15.291 -14.462 2.393 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.932 -14.153 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.874 -16.398 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.722 -16.147 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.716 -16.984 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -19.157 -16.392 3.451 1.00 0.00 H new ATOM 1932 N GLU A 120 -15.037 -13.608 5.091 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.396 -12.995 6.243 1.00 0.00 C ATOM 1934 C GLU A 120 -15.128 -11.710 6.635 1.00 0.00 C ATOM 1935 O GLU A 120 -15.592 -10.967 5.772 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.917 -12.720 5.966 1.00 0.00 C ATOM 1937 CG GLU A 120 -12.093 -14.005 6.066 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.308 -14.691 7.417 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.741 -14.183 8.408 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -13.035 -15.708 7.427 1.00 0.00 O ATOM 0 H GLU A 120 -14.396 -13.921 4.363 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.451 -13.692 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.804 -12.287 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.540 -11.986 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.373 -14.684 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.036 -13.774 5.935 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.209 -11.488 7.939 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.876 -10.305 8.457 1.00 0.00 C ATOM 1949 C ARG A 121 -14.902 -9.127 8.512 1.00 0.00 C ATOM 1950 O ARG A 121 -15.318 -7.970 8.476 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.439 -10.559 9.857 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.934 -10.238 9.913 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.771 -11.453 9.509 1.00 0.00 C ATOM 1954 NE ARG A 121 -20.189 -11.060 9.349 1.00 0.00 N ATOM 1955 CZ ARG A 121 -21.203 -11.930 9.250 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.963 -13.247 9.294 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.458 -11.483 9.107 1.00 0.00 N ATOM 0 H ARG A 121 -14.824 -12.107 8.652 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.700 -10.068 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.276 -11.600 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.905 -9.948 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.205 -9.924 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.155 -9.402 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.393 -11.871 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.684 -12.233 10.266 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.408 -10.064 9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.008 -13.588 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.735 -13.909 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.641 -10.480 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.230 -12.146 9.032 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.623 -9.462 8.600 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.586 -8.446 8.661 1.00 0.00 C ATOM 1973 C CYS A 122 -12.635 -7.631 7.367 1.00 0.00 C ATOM 1974 O CYS A 122 -12.522 -6.407 7.395 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.204 -9.061 8.896 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.793 -10.214 7.536 1.00 0.00 S ATOM 0 H CYS A 122 -13.281 -10.423 8.631 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.768 -7.788 9.511 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.452 -8.274 8.956 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.189 -9.590 9.849 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.617 -10.729 7.744 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.803 -8.344 6.262 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.869 -7.702 4.960 1.00 0.00 C ATOM 1984 C LEU A 123 -14.110 -6.809 4.899 1.00 0.00 C ATOM 1985 O LEU A 123 -14.011 -5.624 4.585 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.806 -8.746 3.844 1.00 0.00 C ATOM 1987 CG LEU A 123 -13.025 -8.223 2.423 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.701 -7.795 1.787 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.765 -9.253 1.567 1.00 0.00 C ATOM 0 H LEU A 123 -12.895 -9.360 6.242 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.004 -7.056 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.832 -9.234 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.554 -9.512 4.047 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.658 -7.337 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.884 -7.427 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.249 -7.004 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.025 -8.649 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.908 -8.856 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.179 -10.171 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.736 -9.467 2.014 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.249 -7.412 5.203 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.508 -6.687 5.185 1.00 0.00 C ATOM 2003 C HIS A 124 -16.329 -5.333 5.875 1.00 0.00 C ATOM 2004 O HIS A 124 -16.623 -4.291 5.290 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.627 -7.525 5.807 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.301 -8.465 4.836 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -19.100 -8.023 3.796 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -18.287 -9.827 4.758 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -19.542 -9.079 3.130 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -19.037 -10.196 3.727 1.00 0.00 N ATOM 0 H HIS A 124 -15.327 -8.395 5.463 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.807 -6.495 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.216 -8.105 6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.377 -6.856 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.756 -10.492 5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -20.189 -9.059 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -19.208 -11.157 3.430 1.00 0.00 H new ATOM 2018 N MET A 125 -15.849 -5.391 7.108 1.00 0.00 N ATOM 2019 CA MET A 125 -15.627 -4.183 7.883 1.00 0.00 C ATOM 2020 C MET A 125 -14.728 -3.203 7.127 1.00 0.00 C ATOM 2021 O MET A 125 -15.109 -2.057 6.894 1.00 0.00 O ATOM 2022 CB MET A 125 -14.977 -4.545 9.220 1.00 0.00 C ATOM 2023 CG MET A 125 -15.528 -3.675 10.351 1.00 0.00 C ATOM 2024 SD MET A 125 -14.185 -3.037 11.340 1.00 0.00 S ATOM 2025 CE MET A 125 -13.556 -4.559 12.027 1.00 0.00 C ATOM 0 H MET A 125 -15.607 -6.257 7.590 1.00 0.00 H new ATOM 0 HA MET A 125 -16.591 -3.704 8.056 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.158 -5.596 9.444 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.897 -4.416 9.150 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.109 -2.851 9.937 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.204 -4.260 10.975 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.469 -4.461 13.109 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.239 -5.375 11.790 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.575 -4.772 11.602 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.550 -3.690 6.764 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.593 -2.872 6.038 1.00 0.00 C ATOM 2037 C PHE A 126 -13.303 -1.945 5.049 1.00 0.00 C ATOM 2038 O PHE A 126 -12.840 -0.835 4.792 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.686 -3.828 5.262 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.462 -3.155 4.637 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.481 -2.653 5.433 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.356 -3.059 3.284 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.346 -2.028 4.853 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.221 -2.434 2.704 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.240 -1.931 3.501 1.00 0.00 C ATOM 0 H PHE A 126 -13.237 -4.641 6.959 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.029 -2.252 6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.350 -4.619 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.268 -4.305 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.565 -2.730 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.135 -3.458 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.567 -1.630 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.136 -2.358 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.377 -1.455 3.060 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.415 -2.435 4.522 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.194 -1.664 3.567 1.00 0.00 C ATOM 2057 C LEU A 127 -16.537 -1.290 4.195 1.00 0.00 C ATOM 2058 O LEU A 127 -16.994 -1.945 5.131 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.323 -2.423 2.245 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.040 -3.063 1.710 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.355 -4.298 0.864 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.197 -2.042 0.943 1.00 0.00 C ATOM 0 H LEU A 127 -14.796 -3.356 4.738 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.685 -0.731 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.071 -3.206 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.704 -1.735 1.490 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.445 -3.398 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.426 -4.734 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.883 -5.031 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.980 -4.010 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.291 -2.522 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.771 -1.655 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.927 -1.221 1.607 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.133 -0.236 3.656 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.415 0.234 4.152 1.00 0.00 C ATOM 2076 C GLN A 128 -18.233 0.968 5.482 1.00 0.00 C ATOM 2077 O GLN A 128 -18.646 2.119 5.621 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.405 -0.924 4.296 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.423 -1.790 3.034 1.00 0.00 C ATOM 2080 CD GLN A 128 -19.953 -3.193 3.340 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.079 -3.601 4.483 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.254 -3.905 2.258 1.00 0.00 N ATOM 0 H GLN A 128 -16.751 0.306 2.881 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.829 0.934 3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.133 -1.535 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.404 -0.532 4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -20.047 -1.319 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.416 -1.859 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.124 -3.502 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -20.615 -4.854 2.356 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.616 0.273 6.425 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.374 0.844 7.739 1.00 0.00 C ATOM 2093 C GLU A 129 -16.238 1.868 7.672 1.00 0.00 C ATOM 2094 O GLU A 129 -15.176 1.585 7.121 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.067 -0.249 8.765 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.357 -0.833 9.345 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.502 -0.476 10.826 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.712 -1.025 11.623 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.401 0.339 11.127 1.00 0.00 O ATOM 0 H GLU A 129 -17.276 -0.681 6.306 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.280 1.356 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.484 -1.041 8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.456 0.162 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.215 -0.453 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.356 -1.917 9.227 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.502 3.035 8.241 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.515 4.101 8.253 1.00 0.00 C ATOM 2108 C GLU A 130 -14.384 3.767 9.227 1.00 0.00 C ATOM 2109 O GLU A 130 -13.249 3.539 8.810 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.162 5.442 8.605 1.00 0.00 C ATOM 2111 CG GLU A 130 -15.110 6.458 9.054 1.00 0.00 C ATOM 2112 CD GLU A 130 -15.704 7.866 9.131 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -16.673 8.115 8.382 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -15.175 8.661 9.938 1.00 0.00 O ATOM 0 H GLU A 130 -17.385 3.266 8.697 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.092 4.189 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.700 5.829 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.896 5.299 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -14.716 6.172 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -14.272 6.451 8.357 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.732 3.747 10.505 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.759 3.444 11.541 1.00 0.00 C ATOM 2123 C ALA A 131 -13.829 1.953 11.879 1.00 0.00 C ATOM 2124 O ALA A 131 -14.902 1.428 12.169 1.00 0.00 O ATOM 2125 CB ALA A 131 -14.019 4.331 12.760 1.00 0.00 C ATOM 0 H ALA A 131 -15.674 3.936 10.847 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.748 3.656 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.289 4.104 13.537 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.930 5.379 12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.023 4.143 13.139 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.669 1.314 11.831 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.585 -0.106 12.129 1.00 0.00 C ATOM 2133 C ILE A 132 -12.523 -0.302 13.645 1.00 0.00 C ATOM 2134 O ILE A 132 -11.763 0.379 14.332 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.413 -0.742 11.378 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.730 -0.886 9.888 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.016 -2.077 12.011 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.484 -1.295 9.100 1.00 0.00 C ATOM 0 H ILE A 132 -11.780 1.753 11.590 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.478 -0.623 11.777 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.553 -0.078 11.462 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.513 -1.631 9.749 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.116 0.057 9.502 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.181 -2.508 11.458 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.720 -1.915 13.047 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.864 -2.761 11.979 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.736 -1.391 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.711 -0.536 9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.115 -2.251 9.473 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.333 -1.235 14.122 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.380 -1.529 15.544 1.00 0.00 C ATOM 2152 C ASP A 133 -12.418 -2.678 15.855 1.00 0.00 C ATOM 2153 O ASP A 133 -12.839 -3.826 15.987 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.785 -1.960 15.972 1.00 0.00 C ATOM 2155 CG ASP A 133 -14.951 -2.230 17.468 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -14.726 -1.277 18.245 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -15.299 -3.383 17.802 1.00 0.00 O ATOM 0 H ASP A 133 -13.962 -1.797 13.549 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.100 -0.625 16.084 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.492 -1.184 15.678 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.055 -2.862 15.423 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.145 -2.328 15.963 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.120 -3.315 16.256 1.00 0.00 C ATOM 2164 C ARG A 134 -10.625 -4.310 17.303 1.00 0.00 C ATOM 2165 O ARG A 134 -11.366 -3.938 18.212 1.00 0.00 O ATOM 2166 CB ARG A 134 -8.843 -2.648 16.771 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.054 -2.016 15.623 1.00 0.00 C ATOM 2168 CD ARG A 134 -6.551 -2.242 15.801 1.00 0.00 C ATOM 2169 NE ARG A 134 -5.889 -0.971 16.171 1.00 0.00 N ATOM 2170 CZ ARG A 134 -4.603 -0.873 16.536 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -3.834 -1.969 16.584 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -4.087 0.322 16.854 1.00 0.00 N ATOM 0 H ARG A 134 -10.800 -1.374 15.853 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.893 -3.841 15.329 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.098 -1.884 17.506 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.223 -3.386 17.280 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.380 -2.443 14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.262 -0.947 15.579 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.376 -2.991 16.573 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.121 -2.630 14.878 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.446 -0.117 16.147 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.227 -2.879 16.343 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -2.855 -1.894 16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -4.673 1.156 16.818 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -3.108 0.397 17.132 1.00 0.00 H new