USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 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 90 THR OG1 : rot -141:sc= 1.05 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 159:sc= 1.13 (180deg=-0.162) USER MOD Set 2.2: A 84 TYR OH : rot 150:sc= 0.835 USER MOD Single : A 6 SER OG : rot -12:sc= 0.733 USER MOD Single : A 12 ASN : amide:sc= -0.25 K(o=-0.25,f=-4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.563 USER MOD Single : A 27 SER OG : rot 12:sc= 0.0296 USER MOD Single : A 29 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-2.7) USER MOD Single : A 31 THR OG1 : rot -167:sc= -0.939 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 35 SER OG : rot 81:sc= -1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= -0.592 K(o=-0.59,f=-2.2) USER MOD Single : A 49 CYS SG : rot 112:sc= 0.0857 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.399 (180deg=-1.47!) USER MOD Single : A 60 ASN : amide:sc= -0.768 K(o=-0.77,f=-2.7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.18! C(o=-2.2!,f=-13!) USER MOD Single : A 73 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-4.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 99 SER OG : rot -167:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 4.374 -8.249 -1.999 1.00 0.00 N ATOM 63 CA GLU A 5 4.472 -7.165 -2.967 1.00 0.00 C ATOM 64 C GLU A 5 3.089 -6.706 -3.407 1.00 0.00 C ATOM 65 O GLU A 5 2.603 -5.657 -2.985 1.00 0.00 O ATOM 66 CB GLU A 5 5.292 -7.612 -4.180 1.00 0.00 C ATOM 67 CG GLU A 5 6.529 -6.764 -4.423 1.00 0.00 C ATOM 68 CD GLU A 5 7.007 -6.829 -5.861 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.806 -7.879 -6.506 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.585 -5.831 -6.340 1.00 0.00 O ATOM 0 HA GLU A 5 4.976 -6.324 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.595 -8.650 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.660 -7.580 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.312 -5.728 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.329 -7.098 -3.762 1.00 0.00 H new ATOM 77 N SER A 6 2.467 -7.505 -4.254 1.00 0.00 N ATOM 78 CA SER A 6 1.135 -7.199 -4.765 1.00 0.00 C ATOM 79 C SER A 6 0.060 -7.629 -3.773 1.00 0.00 C ATOM 80 O SER A 6 0.314 -8.440 -2.881 1.00 0.00 O ATOM 81 CB SER A 6 0.911 -7.891 -6.111 1.00 0.00 C ATOM 82 OG SER A 6 0.169 -7.066 -6.992 1.00 0.00 O ATOM 0 H SER A 6 2.862 -8.377 -4.607 1.00 0.00 H new ATOM 0 HA SER A 6 1.065 -6.120 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.873 -8.137 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.382 -8.831 -5.956 1.00 0.00 H new ATOM 0 HG SER A 6 -0.202 -6.307 -6.495 1.00 0.00 H new ATOM 88 N ILE A 7 -1.141 -7.083 -3.932 1.00 0.00 N ATOM 89 CA ILE A 7 -2.250 -7.415 -3.047 1.00 0.00 C ATOM 90 C ILE A 7 -3.585 -7.297 -3.775 1.00 0.00 C ATOM 91 O ILE A 7 -3.875 -6.278 -4.402 1.00 0.00 O ATOM 92 CB ILE A 7 -2.267 -6.506 -1.801 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.382 -6.931 -0.840 1.00 0.00 C ATOM 94 CG2 ILE A 7 -2.432 -5.049 -2.207 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.881 -7.307 0.538 1.00 0.00 C ATOM 0 H ILE A 7 -1.370 -6.410 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.105 -8.447 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.313 -6.611 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.101 -6.117 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.916 -7.780 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.442 -4.422 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.602 -4.754 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.370 -4.926 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.724 -7.597 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.185 -8.142 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.373 -6.453 0.986 1.00 0.00 H new ATOM 107 N ARG A 8 -4.394 -8.349 -3.690 1.00 0.00 N ATOM 108 CA ARG A 8 -5.698 -8.365 -4.342 1.00 0.00 C ATOM 109 C ARG A 8 -6.823 -8.425 -3.314 1.00 0.00 C ATOM 110 O ARG A 8 -7.278 -9.506 -2.940 1.00 0.00 O ATOM 111 CB ARG A 8 -5.800 -9.558 -5.294 1.00 0.00 C ATOM 112 CG ARG A 8 -5.145 -9.317 -6.645 1.00 0.00 C ATOM 113 CD ARG A 8 -4.247 -10.477 -7.047 1.00 0.00 C ATOM 114 NE ARG A 8 -4.417 -10.839 -8.452 1.00 0.00 N ATOM 115 CZ ARG A 8 -3.526 -11.538 -9.151 1.00 0.00 C ATOM 116 NH1 ARG A 8 -2.401 -11.953 -8.580 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.759 -11.824 -10.424 1.00 0.00 N ATOM 0 H ARG A 8 -4.169 -9.201 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.801 -7.442 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.338 -10.427 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.851 -9.801 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.915 -9.173 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.559 -8.399 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.206 -10.210 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.469 -11.341 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.269 -10.538 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.216 -11.736 -7.601 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.722 -12.488 -9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.621 -11.508 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.076 -12.360 -10.960 1.00 0.00 H new ATOM 131 N PHE A 9 -7.271 -7.258 -2.863 1.00 0.00 N ATOM 132 CA PHE A 9 -8.346 -7.182 -1.881 1.00 0.00 C ATOM 133 C PHE A 9 -9.702 -7.099 -2.573 1.00 0.00 C ATOM 134 O PHE A 9 -9.997 -6.128 -3.269 1.00 0.00 O ATOM 135 CB PHE A 9 -8.150 -5.973 -0.963 1.00 0.00 C ATOM 136 CG PHE A 9 -7.913 -4.685 -1.699 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.977 -3.888 -2.088 1.00 0.00 C ATOM 138 CD2 PHE A 9 -6.625 -4.271 -2.000 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.762 -2.702 -2.765 1.00 0.00 C ATOM 140 CE2 PHE A 9 -6.404 -3.086 -2.676 1.00 0.00 C ATOM 141 CZ PHE A 9 -7.474 -2.300 -3.059 1.00 0.00 C ATOM 0 H PHE A 9 -6.907 -6.353 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.318 -8.089 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.031 -5.862 -0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.305 -6.164 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.986 -4.197 -1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.785 -4.881 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.601 -2.090 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.396 -2.774 -2.905 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.303 -1.373 -3.587 1.00 0.00 H new ATOM 151 N GLY A 10 -10.522 -8.128 -2.384 1.00 0.00 N ATOM 152 CA GLY A 10 -11.834 -8.151 -3.002 1.00 0.00 C ATOM 153 C GLY A 10 -11.758 -8.121 -4.518 1.00 0.00 C ATOM 154 O GLY A 10 -10.868 -8.735 -5.105 1.00 0.00 O ATOM 0 H GLY A 10 -10.301 -8.945 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.367 -9.048 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.413 -7.296 -2.653 1.00 0.00 H new ATOM 158 N PRO A 11 -12.682 -7.409 -5.186 1.00 0.00 N ATOM 159 CA PRO A 11 -12.698 -7.314 -6.648 1.00 0.00 C ATOM 160 C PRO A 11 -11.614 -6.384 -7.189 1.00 0.00 C ATOM 161 O PRO A 11 -11.452 -6.247 -8.402 1.00 0.00 O ATOM 162 CB PRO A 11 -14.085 -6.745 -6.944 1.00 0.00 C ATOM 163 CG PRO A 11 -14.425 -5.941 -5.738 1.00 0.00 C ATOM 164 CD PRO A 11 -13.784 -6.643 -4.570 1.00 0.00 C ATOM 0 HA PRO A 11 -12.502 -8.276 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.077 -6.128 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.813 -7.540 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.051 -4.921 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.505 -5.874 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.414 -5.933 -3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.490 -7.297 -4.059 1.00 0.00 H new ATOM 172 N ASN A 12 -10.874 -5.743 -6.287 1.00 0.00 N ATOM 173 CA ASN A 12 -9.810 -4.827 -6.684 1.00 0.00 C ATOM 174 C ASN A 12 -8.447 -5.509 -6.628 1.00 0.00 C ATOM 175 O ASN A 12 -8.245 -6.457 -5.869 1.00 0.00 O ATOM 176 CB ASN A 12 -9.811 -3.593 -5.780 1.00 0.00 C ATOM 177 CG ASN A 12 -11.108 -2.812 -5.868 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.101 -3.294 -6.412 1.00 0.00 O ATOM 179 ND2 ASN A 12 -11.104 -1.597 -5.331 1.00 0.00 N ATOM 0 H ASN A 12 -10.992 -5.841 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.997 -4.520 -7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.646 -3.902 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.980 -2.944 -6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.947 -1.024 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.258 -1.237 -4.890 1.00 0.00 H new ATOM 186 N VAL A 13 -7.515 -5.016 -7.436 1.00 0.00 N ATOM 187 CA VAL A 13 -6.166 -5.570 -7.483 1.00 0.00 C ATOM 188 C VAL A 13 -5.124 -4.457 -7.481 1.00 0.00 C ATOM 189 O VAL A 13 -5.144 -3.575 -8.339 1.00 0.00 O ATOM 190 CB VAL A 13 -5.963 -6.448 -8.733 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.590 -7.107 -8.713 1.00 0.00 C ATOM 192 CG2 VAL A 13 -7.064 -7.493 -8.834 1.00 0.00 C ATOM 0 H VAL A 13 -7.669 -4.231 -8.069 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.041 -6.188 -6.594 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.016 -5.809 -9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.469 -7.722 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.818 -6.338 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.500 -7.733 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.905 -8.104 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.045 -8.128 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.032 -6.996 -8.904 1.00 0.00 H new ATOM 202 N PHE A 14 -4.215 -4.500 -6.511 1.00 0.00 N ATOM 203 CA PHE A 14 -3.170 -3.489 -6.404 1.00 0.00 C ATOM 204 C PHE A 14 -1.835 -4.027 -6.907 1.00 0.00 C ATOM 205 O PHE A 14 -1.134 -4.743 -6.192 1.00 0.00 O ATOM 206 CB PHE A 14 -3.031 -3.021 -4.955 1.00 0.00 C ATOM 207 CG PHE A 14 -2.142 -1.820 -4.794 1.00 0.00 C ATOM 208 CD1 PHE A 14 -0.763 -1.949 -4.856 1.00 0.00 C ATOM 209 CD2 PHE A 14 -2.684 -0.563 -4.582 1.00 0.00 C ATOM 210 CE1 PHE A 14 0.057 -0.847 -4.709 1.00 0.00 C ATOM 211 CE2 PHE A 14 -1.869 0.543 -4.434 1.00 0.00 C ATOM 212 CZ PHE A 14 -0.496 0.401 -4.497 1.00 0.00 C ATOM 0 H PHE A 14 -4.181 -5.222 -5.791 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.456 -2.642 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.020 -2.786 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.635 -3.839 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.325 -2.922 -5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.756 -0.446 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.130 -0.961 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.305 1.517 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.143 1.264 -4.381 1.00 0.00 H new ATOM 222 N TYR A 15 -1.488 -3.673 -8.139 1.00 0.00 N ATOM 223 CA TYR A 15 -0.235 -4.118 -8.736 1.00 0.00 C ATOM 224 C TYR A 15 0.918 -3.222 -8.298 1.00 0.00 C ATOM 225 O TYR A 15 0.959 -2.039 -8.633 1.00 0.00 O ATOM 226 CB TYR A 15 -0.342 -4.121 -10.262 1.00 0.00 C ATOM 227 CG TYR A 15 -1.256 -5.197 -10.804 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.864 -6.529 -10.813 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.512 -4.879 -11.306 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.697 -7.515 -11.308 1.00 0.00 C ATOM 231 CE2 TYR A 15 -3.351 -5.859 -11.802 1.00 0.00 C ATOM 232 CZ TYR A 15 -2.939 -7.175 -11.801 1.00 0.00 C ATOM 233 OH TYR A 15 -3.772 -8.153 -12.293 1.00 0.00 O ATOM 0 H TYR A 15 -2.056 -3.080 -8.743 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.037 -5.134 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.704 -3.148 -10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.653 -4.253 -10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.108 -6.799 -10.427 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.838 -3.849 -11.309 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.377 -8.546 -11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.324 -5.595 -12.188 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.609 -7.746 -12.600 1.00 0.00 H new ATOM 243 N VAL A 16 1.853 -3.793 -7.547 1.00 0.00 N ATOM 244 CA VAL A 16 3.007 -3.042 -7.064 1.00 0.00 C ATOM 245 C VAL A 16 4.027 -2.803 -8.177 1.00 0.00 C ATOM 246 O VAL A 16 5.020 -2.102 -7.978 1.00 0.00 O ATOM 247 CB VAL A 16 3.704 -3.759 -5.890 1.00 0.00 C ATOM 248 CG1 VAL A 16 2.961 -3.495 -4.590 1.00 0.00 C ATOM 249 CG2 VAL A 16 3.814 -5.254 -6.155 1.00 0.00 C ATOM 0 H VAL A 16 1.835 -4.772 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 16 2.624 -2.082 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 16 4.714 -3.360 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.466 -4.008 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.945 -2.423 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.939 -3.864 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.309 -5.737 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.817 -5.676 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.395 -5.421 -7.062 1.00 0.00 H new ATOM 259 N LEU A 17 3.781 -3.386 -9.349 1.00 0.00 N ATOM 260 CA LEU A 17 4.682 -3.228 -10.484 1.00 0.00 C ATOM 261 C LEU A 17 4.061 -2.337 -11.556 1.00 0.00 C ATOM 262 O LEU A 17 4.770 -1.661 -12.301 1.00 0.00 O ATOM 263 CB LEU A 17 5.029 -4.595 -11.079 1.00 0.00 C ATOM 264 CG LEU A 17 5.529 -5.632 -10.070 1.00 0.00 C ATOM 265 CD1 LEU A 17 4.765 -6.940 -10.220 1.00 0.00 C ATOM 266 CD2 LEU A 17 7.024 -5.865 -10.239 1.00 0.00 C ATOM 0 H LEU A 17 2.966 -3.971 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 17 5.595 -2.751 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.145 -4.992 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.792 -4.458 -11.845 1.00 0.00 H new ATOM 0 HG LEU A 17 5.352 -5.245 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.136 -7.663 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.703 -6.763 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.908 -7.331 -11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.361 -6.605 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.224 -6.228 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.559 -4.929 -10.078 1.00 0.00 H new ATOM 278 N LYS A 18 2.733 -2.341 -11.629 1.00 0.00 N ATOM 279 CA LYS A 18 2.019 -1.532 -12.611 1.00 0.00 C ATOM 280 C LYS A 18 1.343 -0.334 -11.950 1.00 0.00 C ATOM 281 O LYS A 18 1.146 0.704 -12.581 1.00 0.00 O ATOM 282 CB LYS A 18 0.976 -2.381 -13.340 1.00 0.00 C ATOM 283 CG LYS A 18 1.530 -3.684 -13.892 1.00 0.00 C ATOM 284 CD LYS A 18 0.509 -4.398 -14.763 1.00 0.00 C ATOM 285 CE LYS A 18 1.165 -5.449 -15.643 1.00 0.00 C ATOM 286 NZ LYS A 18 1.710 -6.581 -14.844 1.00 0.00 N ATOM 0 H LYS A 18 2.130 -2.895 -11.020 1.00 0.00 H new ATOM 0 HA LYS A 18 2.747 -1.160 -13.332 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.159 -2.605 -12.655 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.554 -1.799 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.428 -3.481 -14.475 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.825 -4.334 -13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.244 -4.869 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.010 -3.671 -15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.437 -5.828 -16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.969 -4.990 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.149 -7.276 -15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.424 -6.223 -14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.939 -7.035 -14.315 1.00 0.00 H new ATOM 300 N LEU A 19 0.988 -0.487 -10.678 1.00 0.00 N ATOM 301 CA LEU A 19 0.332 0.581 -9.931 1.00 0.00 C ATOM 302 C LEU A 19 -1.015 0.935 -10.554 1.00 0.00 C ATOM 303 O LEU A 19 -1.342 2.110 -10.727 1.00 0.00 O ATOM 304 CB LEU A 19 1.227 1.822 -9.878 1.00 0.00 C ATOM 305 CG LEU A 19 2.524 1.651 -9.084 1.00 0.00 C ATOM 306 CD1 LEU A 19 3.588 2.615 -9.585 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.268 1.857 -7.598 1.00 0.00 C ATOM 0 H LEU A 19 1.144 -1.341 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 19 0.158 0.225 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.479 2.114 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.658 2.643 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 19 2.889 0.634 -9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.503 2.479 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.790 2.419 -10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.235 3.640 -9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.200 1.732 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.880 2.862 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.540 1.125 -7.249 1.00 0.00 H new ATOM 319 N THR A 20 -1.794 -0.089 -10.886 1.00 0.00 N ATOM 320 CA THR A 20 -3.108 0.113 -11.487 1.00 0.00 C ATOM 321 C THR A 20 -4.170 -0.701 -10.754 1.00 0.00 C ATOM 322 O THR A 20 -4.136 -1.931 -10.760 1.00 0.00 O ATOM 323 CB THR A 20 -3.081 -0.275 -12.966 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.013 0.372 -13.634 1.00 0.00 O ATOM 325 CG2 THR A 20 -4.359 0.071 -13.698 1.00 0.00 C ATOM 0 H THR A 20 -1.539 -1.067 -10.749 1.00 0.00 H new ATOM 0 HA THR A 20 -3.362 1.170 -11.402 1.00 0.00 H new ATOM 0 HB THR A 20 -2.956 -1.358 -12.979 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.011 0.110 -14.578 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.273 -0.231 -14.742 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.196 -0.453 -13.236 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.530 1.146 -13.644 1.00 0.00 H new ATOM 333 N VAL A 21 -5.111 -0.005 -10.124 1.00 0.00 N ATOM 334 CA VAL A 21 -6.181 -0.664 -9.386 1.00 0.00 C ATOM 335 C VAL A 21 -7.259 -1.187 -10.329 1.00 0.00 C ATOM 336 O VAL A 21 -8.031 -0.413 -10.895 1.00 0.00 O ATOM 337 CB VAL A 21 -6.830 0.288 -8.362 1.00 0.00 C ATOM 338 CG1 VAL A 21 -7.802 -0.469 -7.470 1.00 0.00 C ATOM 339 CG2 VAL A 21 -5.765 0.988 -7.529 1.00 0.00 C ATOM 0 H VAL A 21 -5.154 1.014 -10.110 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.727 -1.501 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.389 1.049 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.250 0.220 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.585 -0.916 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.268 -1.254 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.244 1.655 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.175 0.244 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.113 1.566 -8.184 1.00 0.00 H new ATOM 349 N GLU A 22 -7.305 -2.505 -10.494 1.00 0.00 N ATOM 350 CA GLU A 22 -8.289 -3.132 -11.369 1.00 0.00 C ATOM 351 C GLU A 22 -9.661 -3.169 -10.704 1.00 0.00 C ATOM 352 O GLU A 22 -9.946 -4.052 -9.895 1.00 0.00 O ATOM 353 CB GLU A 22 -7.847 -4.550 -11.737 1.00 0.00 C ATOM 354 CG GLU A 22 -7.006 -4.615 -13.001 1.00 0.00 C ATOM 355 CD GLU A 22 -7.804 -5.062 -14.210 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.776 -5.826 -14.031 1.00 0.00 O ATOM 357 OE2 GLU A 22 -7.457 -4.649 -15.337 1.00 0.00 O ATOM 0 H GLU A 22 -6.673 -3.159 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.362 -2.536 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.277 -4.970 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.730 -5.175 -11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.575 -3.633 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.175 -5.302 -12.845 1.00 0.00 H new ATOM 364 N THR A 23 -10.507 -2.205 -11.051 1.00 0.00 N ATOM 365 CA THR A 23 -11.850 -2.126 -10.489 1.00 0.00 C ATOM 366 C THR A 23 -12.788 -3.112 -11.181 1.00 0.00 C ATOM 367 O THR A 23 -12.438 -3.704 -12.202 1.00 0.00 O ATOM 368 CB THR A 23 -12.400 -0.702 -10.618 1.00 0.00 C ATOM 369 OG1 THR A 23 -11.640 0.050 -11.550 1.00 0.00 O ATOM 370 CG2 THR A 23 -12.405 0.059 -9.309 1.00 0.00 C ATOM 0 H THR A 23 -10.286 -1.467 -11.719 1.00 0.00 H new ATOM 0 HA THR A 23 -11.790 -2.389 -9.433 1.00 0.00 H new ATOM 0 HB THR A 23 -13.430 -0.821 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.098 0.896 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.806 1.059 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.026 -0.468 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.387 0.134 -8.928 1.00 0.00 H new ATOM 378 N PRO A 24 -13.999 -3.300 -10.630 1.00 0.00 N ATOM 379 CA PRO A 24 -14.989 -4.216 -11.193 1.00 0.00 C ATOM 380 C PRO A 24 -15.726 -3.620 -12.391 1.00 0.00 C ATOM 381 O PRO A 24 -16.576 -4.275 -12.995 1.00 0.00 O ATOM 382 CB PRO A 24 -15.949 -4.436 -10.027 1.00 0.00 C ATOM 383 CG PRO A 24 -15.892 -3.173 -9.244 1.00 0.00 C ATOM 384 CD PRO A 24 -14.496 -2.633 -9.412 1.00 0.00 C ATOM 0 HA PRO A 24 -14.534 -5.130 -11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.960 -4.637 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.647 -5.291 -9.422 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.631 -2.458 -9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.114 -3.357 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.498 -1.549 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.872 -2.863 -8.548 1.00 0.00 H new ATOM 392 N GLU A 25 -15.396 -2.377 -12.732 1.00 0.00 N ATOM 393 CA GLU A 25 -16.028 -1.700 -13.858 1.00 0.00 C ATOM 394 C GLU A 25 -15.009 -0.871 -14.634 1.00 0.00 C ATOM 395 O GLU A 25 -15.347 0.158 -15.218 1.00 0.00 O ATOM 396 CB GLU A 25 -17.167 -0.804 -13.368 1.00 0.00 C ATOM 397 CG GLU A 25 -18.366 -0.780 -14.301 1.00 0.00 C ATOM 398 CD GLU A 25 -19.503 0.070 -13.767 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.363 -0.475 -13.044 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.532 1.281 -14.071 1.00 0.00 O ATOM 0 H GLU A 25 -14.695 -1.819 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.436 -2.459 -14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.489 -1.145 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.792 0.212 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.057 -0.398 -15.274 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.721 -1.799 -14.457 1.00 0.00 H new ATOM 407 N GLY A 26 -13.761 -1.327 -14.633 1.00 0.00 N ATOM 408 CA GLY A 26 -12.711 -0.615 -15.339 1.00 0.00 C ATOM 409 C GLY A 26 -11.408 -0.589 -14.564 1.00 0.00 C ATOM 410 O GLY A 26 -10.969 -1.612 -14.040 1.00 0.00 O ATOM 0 H GLY A 26 -13.458 -2.176 -14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.545 -1.086 -16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.036 0.407 -15.533 1.00 0.00 H new ATOM 414 N SER A 27 -10.790 0.585 -14.491 1.00 0.00 N ATOM 415 CA SER A 27 -9.529 0.742 -13.774 1.00 0.00 C ATOM 416 C SER A 27 -9.487 2.074 -13.033 1.00 0.00 C ATOM 417 O SER A 27 -10.277 2.976 -13.313 1.00 0.00 O ATOM 418 CB SER A 27 -8.351 0.648 -14.745 1.00 0.00 C ATOM 419 OG SER A 27 -8.081 -0.699 -15.091 1.00 0.00 O ATOM 0 H SER A 27 -11.141 1.442 -14.919 1.00 0.00 H new ATOM 0 HA SER A 27 -9.453 -0.063 -13.043 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.572 1.221 -15.646 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.466 1.095 -14.292 1.00 0.00 H new ATOM 0 HG SER A 27 -8.820 -1.268 -14.790 1.00 0.00 H new ATOM 425 N VAL A 28 -8.560 2.191 -12.088 1.00 0.00 N ATOM 426 CA VAL A 28 -8.416 3.415 -11.308 1.00 0.00 C ATOM 427 C VAL A 28 -6.946 3.756 -11.085 1.00 0.00 C ATOM 428 O VAL A 28 -6.267 3.119 -10.280 1.00 0.00 O ATOM 429 CB VAL A 28 -9.116 3.296 -9.940 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.088 4.628 -9.206 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.546 2.803 -10.111 1.00 0.00 C ATOM 0 H VAL A 28 -7.898 1.454 -11.844 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.889 4.212 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.574 2.566 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.587 4.523 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.054 4.934 -9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.603 5.382 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.023 2.726 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.101 3.506 -10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.538 1.824 -10.590 1.00 0.00 H new ATOM 441 N HIS A 29 -6.463 4.766 -11.799 1.00 0.00 N ATOM 442 CA HIS A 29 -5.073 5.193 -11.673 1.00 0.00 C ATOM 443 C HIS A 29 -4.835 5.855 -10.320 1.00 0.00 C ATOM 444 O HIS A 29 -5.780 6.135 -9.582 1.00 0.00 O ATOM 445 CB HIS A 29 -4.706 6.160 -12.801 1.00 0.00 C ATOM 446 CG HIS A 29 -5.730 7.226 -13.038 1.00 0.00 C ATOM 447 ND1 HIS A 29 -6.622 7.643 -12.071 1.00 0.00 N ATOM 448 CD2 HIS A 29 -6.004 7.962 -14.142 1.00 0.00 C ATOM 449 CE1 HIS A 29 -7.399 8.588 -12.570 1.00 0.00 C ATOM 450 NE2 HIS A 29 -7.044 8.800 -13.823 1.00 0.00 N ATOM 0 H HIS A 29 -7.011 5.304 -12.470 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.438 4.310 -11.746 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.751 6.631 -12.567 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.565 5.593 -13.721 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.499 7.901 -15.095 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.190 9.100 -12.042 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.473 9.477 -14.453 1.00 0.00 H new ATOM 459 N LEU A 30 -3.570 6.099 -9.997 1.00 0.00 N ATOM 460 CA LEU A 30 -3.219 6.725 -8.727 1.00 0.00 C ATOM 461 C LEU A 30 -1.773 7.211 -8.732 1.00 0.00 C ATOM 462 O LEU A 30 -0.987 6.849 -9.608 1.00 0.00 O ATOM 463 CB LEU A 30 -3.430 5.739 -7.577 1.00 0.00 C ATOM 464 CG LEU A 30 -2.928 4.318 -7.841 1.00 0.00 C ATOM 465 CD1 LEU A 30 -1.425 4.317 -8.077 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.286 3.402 -6.681 1.00 0.00 C ATOM 0 H LEU A 30 -2.774 5.874 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.870 7.588 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.928 6.126 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.495 5.695 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.417 3.943 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.087 3.298 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.192 4.940 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.918 4.713 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.921 2.396 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.825 3.776 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.369 3.377 -6.558 1.00 0.00 H new ATOM 478 N THR A 31 -1.429 8.027 -7.740 1.00 0.00 N ATOM 479 CA THR A 31 -0.079 8.559 -7.618 1.00 0.00 C ATOM 480 C THR A 31 0.817 7.573 -6.870 1.00 0.00 C ATOM 481 O THR A 31 0.623 7.329 -5.679 1.00 0.00 O ATOM 482 CB THR A 31 -0.103 9.905 -6.889 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.353 10.111 -6.253 1.00 0.00 O ATOM 484 CG2 THR A 31 0.146 11.085 -7.804 1.00 0.00 C ATOM 0 H THR A 31 -2.070 8.334 -7.008 1.00 0.00 H new ATOM 0 HA THR A 31 0.325 8.708 -8.619 1.00 0.00 H new ATOM 0 HB THR A 31 0.706 9.852 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.427 11.047 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.116 12.008 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.125 10.982 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.623 11.116 -8.576 1.00 0.00 H new ATOM 492 N PRO A 32 1.810 6.982 -7.560 1.00 0.00 N ATOM 493 CA PRO A 32 2.726 6.013 -6.952 1.00 0.00 C ATOM 494 C PRO A 32 3.284 6.481 -5.614 1.00 0.00 C ATOM 495 O PRO A 32 3.668 5.668 -4.774 1.00 0.00 O ATOM 496 CB PRO A 32 3.844 5.887 -7.985 1.00 0.00 C ATOM 497 CG PRO A 32 3.194 6.202 -9.287 1.00 0.00 C ATOM 498 CD PRO A 32 2.110 7.204 -8.988 1.00 0.00 C ATOM 0 HA PRO A 32 2.224 5.072 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.659 6.578 -7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.269 4.883 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.917 6.610 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.778 5.303 -9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.446 8.224 -9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.231 7.041 -9.612 1.00 0.00 H new ATOM 506 N SER A 33 3.323 7.789 -5.421 1.00 0.00 N ATOM 507 CA SER A 33 3.832 8.356 -4.178 1.00 0.00 C ATOM 508 C SER A 33 2.855 8.114 -3.044 1.00 0.00 C ATOM 509 O SER A 33 3.250 7.788 -1.925 1.00 0.00 O ATOM 510 CB SER A 33 4.102 9.854 -4.337 1.00 0.00 C ATOM 511 OG SER A 33 3.283 10.415 -5.348 1.00 0.00 O ATOM 0 H SER A 33 3.010 8.478 -6.105 1.00 0.00 H new ATOM 0 HA SER A 33 4.773 7.861 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.917 10.363 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.151 10.013 -4.585 1.00 0.00 H new ATOM 0 HG SER A 33 3.473 11.373 -5.429 1.00 0.00 H new ATOM 517 N GLU A 34 1.577 8.254 -3.347 1.00 0.00 N ATOM 518 CA GLU A 34 0.537 8.027 -2.358 1.00 0.00 C ATOM 519 C GLU A 34 0.292 6.542 -2.212 1.00 0.00 C ATOM 520 O GLU A 34 0.159 6.023 -1.105 1.00 0.00 O ATOM 521 CB GLU A 34 -0.753 8.753 -2.746 1.00 0.00 C ATOM 522 CG GLU A 34 -0.549 10.224 -3.069 1.00 0.00 C ATOM 523 CD GLU A 34 -1.438 11.134 -2.243 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.217 11.226 -1.017 1.00 0.00 O ATOM 525 OE2 GLU A 34 -2.355 11.753 -2.822 1.00 0.00 O ATOM 0 H GLU A 34 1.234 8.524 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 34 0.868 8.429 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.193 8.257 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.470 8.665 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.494 10.488 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.749 10.390 -4.127 1.00 0.00 H new ATOM 532 N SER A 35 0.283 5.854 -3.338 1.00 0.00 N ATOM 533 CA SER A 35 0.105 4.417 -3.331 1.00 0.00 C ATOM 534 C SER A 35 1.401 3.752 -2.879 1.00 0.00 C ATOM 535 O SER A 35 1.435 2.553 -2.605 1.00 0.00 O ATOM 536 CB SER A 35 -0.315 3.914 -4.712 1.00 0.00 C ATOM 537 OG SER A 35 0.810 3.706 -5.548 1.00 0.00 O ATOM 0 H SER A 35 0.396 6.266 -4.264 1.00 0.00 H new ATOM 0 HA SER A 35 -0.691 4.158 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.871 2.982 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.987 4.636 -5.176 1.00 0.00 H new ATOM 0 HG SER A 35 1.218 2.840 -5.338 1.00 0.00 H new ATOM 543 N GLY A 36 2.470 4.550 -2.783 1.00 0.00 N ATOM 544 CA GLY A 36 3.741 4.028 -2.341 1.00 0.00 C ATOM 545 C GLY A 36 3.779 3.846 -0.842 1.00 0.00 C ATOM 546 O GLY A 36 4.467 2.962 -0.333 1.00 0.00 O ATOM 0 H GLY A 36 2.469 5.546 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.931 3.072 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.539 4.706 -2.646 1.00 0.00 H new ATOM 550 N ILE A 37 3.026 4.680 -0.130 1.00 0.00 N ATOM 551 CA ILE A 37 2.974 4.590 1.326 1.00 0.00 C ATOM 552 C ILE A 37 2.296 3.300 1.757 1.00 0.00 C ATOM 553 O ILE A 37 2.728 2.641 2.703 1.00 0.00 O ATOM 554 CB ILE A 37 2.236 5.791 1.955 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.945 7.099 1.599 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.142 5.632 3.467 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.200 7.927 0.580 1.00 0.00 C ATOM 0 H ILE A 37 2.449 5.419 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 37 4.004 4.601 1.681 1.00 0.00 H new ATOM 0 HB ILE A 37 1.225 5.823 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.081 7.688 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.939 6.872 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.618 6.489 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.595 4.719 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.145 5.574 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.759 8.840 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.087 7.355 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.215 8.185 0.970 1.00 0.00 H new ATOM 569 N LEU A 38 1.242 2.940 1.046 1.00 0.00 N ATOM 570 CA LEU A 38 0.507 1.718 1.341 1.00 0.00 C ATOM 571 C LEU A 38 1.283 0.499 0.852 1.00 0.00 C ATOM 572 O LEU A 38 1.027 -0.626 1.281 1.00 0.00 O ATOM 573 CB LEU A 38 -0.886 1.755 0.702 1.00 0.00 C ATOM 574 CG LEU A 38 -0.930 1.487 -0.804 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.294 0.036 -1.079 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.919 2.423 -1.483 1.00 0.00 C ATOM 0 H LEU A 38 0.874 3.475 0.260 1.00 0.00 H new ATOM 0 HA LEU A 38 0.387 1.644 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.515 1.019 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.327 2.733 0.892 1.00 0.00 H new ATOM 0 HG LEU A 38 0.062 1.676 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.320 -0.135 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.549 -0.618 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.274 -0.180 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.937 2.218 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.914 2.266 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.615 3.456 -1.316 1.00 0.00 H new ATOM 588 N LYS A 39 2.237 0.734 -0.045 1.00 0.00 N ATOM 589 CA LYS A 39 3.056 -0.340 -0.587 1.00 0.00 C ATOM 590 C LYS A 39 4.206 -0.668 0.353 1.00 0.00 C ATOM 591 O LYS A 39 4.682 -1.802 0.395 1.00 0.00 O ATOM 592 CB LYS A 39 3.597 0.042 -1.966 1.00 0.00 C ATOM 593 CG LYS A 39 3.951 -1.155 -2.833 1.00 0.00 C ATOM 594 CD LYS A 39 5.341 -1.683 -2.515 1.00 0.00 C ATOM 595 CE LYS A 39 6.334 -1.336 -3.613 1.00 0.00 C ATOM 596 NZ LYS A 39 7.742 -1.413 -3.134 1.00 0.00 N ATOM 0 H LYS A 39 2.460 1.660 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 39 2.429 -1.226 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.853 0.648 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.483 0.664 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.217 -1.946 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.900 -0.872 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.683 -1.264 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.300 -2.765 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.199 -2.017 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.131 -0.331 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.387 -1.169 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.879 -0.745 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.945 -2.379 -2.806 1.00 0.00 H new ATOM 610 N ARG A 40 4.645 0.329 1.113 1.00 0.00 N ATOM 611 CA ARG A 40 5.738 0.135 2.059 1.00 0.00 C ATOM 612 C ARG A 40 5.228 -0.507 3.338 1.00 0.00 C ATOM 613 O ARG A 40 5.921 -1.306 3.967 1.00 0.00 O ATOM 614 CB ARG A 40 6.426 1.465 2.370 1.00 0.00 C ATOM 615 CG ARG A 40 7.768 1.308 3.067 1.00 0.00 C ATOM 616 CD ARG A 40 8.918 1.305 2.073 1.00 0.00 C ATOM 617 NE ARG A 40 9.602 0.015 2.032 1.00 0.00 N ATOM 618 CZ ARG A 40 10.282 -0.496 3.055 1.00 0.00 C ATOM 619 NH1 ARG A 40 10.374 0.170 4.200 1.00 0.00 N ATOM 620 NH2 ARG A 40 10.873 -1.678 2.934 1.00 0.00 N ATOM 0 H ARG A 40 4.264 1.275 1.093 1.00 0.00 H new ATOM 0 HA ARG A 40 6.469 -0.532 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.571 2.015 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.768 2.067 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.905 2.120 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.776 0.379 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.539 1.546 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.631 2.085 2.341 1.00 0.00 H new ATOM 0 HE ARG A 40 9.556 -0.526 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.922 1.079 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.897 -0.227 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.806 -2.194 2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.394 -2.070 3.718 1.00 0.00 H new ATOM 634 N LEU A 41 4.004 -0.167 3.704 1.00 0.00 N ATOM 635 CA LEU A 41 3.387 -0.726 4.896 1.00 0.00 C ATOM 636 C LEU A 41 2.910 -2.143 4.616 1.00 0.00 C ATOM 637 O LEU A 41 2.814 -2.970 5.522 1.00 0.00 O ATOM 638 CB LEU A 41 2.221 0.148 5.363 1.00 0.00 C ATOM 639 CG LEU A 41 2.621 1.512 5.929 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.386 2.349 6.225 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.467 1.345 7.184 1.00 0.00 C ATOM 0 H LEU A 41 3.417 0.493 3.194 1.00 0.00 H new ATOM 0 HA LEU A 41 4.130 -0.753 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.545 0.304 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.662 -0.395 6.125 1.00 0.00 H new ATOM 0 HG LEU A 41 3.218 2.032 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.689 3.316 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.820 2.500 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.763 1.832 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.741 2.326 7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.896 0.804 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.370 0.785 6.942 1.00 0.00 H new ATOM 653 N LEU A 42 2.637 -2.422 3.346 1.00 0.00 N ATOM 654 CA LEU A 42 2.200 -3.746 2.938 1.00 0.00 C ATOM 655 C LEU A 42 3.351 -4.733 3.072 1.00 0.00 C ATOM 656 O LEU A 42 3.140 -5.929 3.273 1.00 0.00 O ATOM 657 CB LEU A 42 1.681 -3.724 1.497 1.00 0.00 C ATOM 658 CG LEU A 42 0.215 -4.137 1.332 1.00 0.00 C ATOM 659 CD1 LEU A 42 -0.660 -2.919 1.074 1.00 0.00 C ATOM 660 CD2 LEU A 42 0.068 -5.148 0.203 1.00 0.00 C ATOM 0 H LEU A 42 2.711 -1.748 2.584 1.00 0.00 H new ATOM 0 HA LEU A 42 1.384 -4.061 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.807 -2.718 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.300 -4.387 0.893 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.114 -4.606 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.697 -3.234 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.581 -2.229 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.330 -2.420 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.980 -5.430 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.417 -4.705 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.661 -6.034 0.429 1.00 0.00 H new ATOM 672 N ILE A 43 4.574 -4.217 2.974 1.00 0.00 N ATOM 673 CA ILE A 43 5.761 -5.050 3.102 1.00 0.00 C ATOM 674 C ILE A 43 5.796 -5.712 4.473 1.00 0.00 C ATOM 675 O ILE A 43 6.251 -6.847 4.615 1.00 0.00 O ATOM 676 CB ILE A 43 7.055 -4.237 2.901 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.959 -3.375 1.640 1.00 0.00 C ATOM 678 CG2 ILE A 43 8.255 -5.168 2.822 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.599 -4.158 0.396 1.00 0.00 C ATOM 0 H ILE A 43 4.766 -3.229 2.807 1.00 0.00 H new ATOM 0 HA ILE A 43 5.707 -5.810 2.323 1.00 0.00 H new ATOM 0 HB ILE A 43 7.185 -3.575 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.212 -2.597 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.913 -2.873 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.162 -4.581 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.334 -5.739 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.130 -5.852 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.549 -3.482 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.358 -4.919 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.630 -4.638 0.536 1.00 0.00 H new ATOM 691 N ASN A 44 5.302 -4.996 5.480 1.00 0.00 N ATOM 692 CA ASN A 44 5.266 -5.518 6.840 1.00 0.00 C ATOM 693 C ASN A 44 3.918 -6.168 7.124 1.00 0.00 C ATOM 694 O ASN A 44 3.831 -7.165 7.841 1.00 0.00 O ATOM 695 CB ASN A 44 5.540 -4.402 7.849 1.00 0.00 C ATOM 696 CG ASN A 44 6.962 -4.434 8.373 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.792 -5.211 7.900 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.251 -3.589 9.355 1.00 0.00 N ATOM 0 H ASN A 44 4.922 -4.055 5.378 1.00 0.00 H new ATOM 0 HA ASN A 44 6.045 -6.274 6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.350 -3.437 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.846 -4.492 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.192 -3.566 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.532 -2.962 9.717 1.00 0.00 H new ATOM 705 N LYS A 45 2.873 -5.594 6.544 1.00 0.00 N ATOM 706 CA LYS A 45 1.514 -6.103 6.710 1.00 0.00 C ATOM 707 C LYS A 45 1.212 -6.420 8.173 1.00 0.00 C ATOM 708 O LYS A 45 1.318 -7.568 8.605 1.00 0.00 O ATOM 709 CB LYS A 45 1.309 -7.351 5.849 1.00 0.00 C ATOM 710 CG LYS A 45 0.387 -7.125 4.661 1.00 0.00 C ATOM 711 CD LYS A 45 -0.955 -7.813 4.857 1.00 0.00 C ATOM 712 CE LYS A 45 -2.056 -7.119 4.072 1.00 0.00 C ATOM 713 NZ LYS A 45 -3.166 -8.050 3.728 1.00 0.00 N ATOM 0 H LYS A 45 2.940 -4.768 5.949 1.00 0.00 H new ATOM 0 HA LYS A 45 0.823 -5.325 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.278 -7.695 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.899 -8.148 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.231 -6.056 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.861 -7.502 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.881 -8.853 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.211 -7.819 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.449 -6.287 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.639 -6.698 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.027 -7.503 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.904 -8.608 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.344 -8.689 4.529 1.00 0.00 H new ATOM 727 N GLY A 46 0.834 -5.395 8.928 1.00 0.00 N ATOM 728 CA GLY A 46 0.520 -5.584 10.333 1.00 0.00 C ATOM 729 C GLY A 46 1.745 -5.491 11.219 1.00 0.00 C ATOM 730 O GLY A 46 2.186 -6.490 11.788 1.00 0.00 O ATOM 0 H GLY A 46 0.739 -4.436 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.207 -4.833 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.050 -6.558 10.469 1.00 0.00 H new ATOM 734 N GLN A 47 2.296 -4.288 11.339 1.00 0.00 N ATOM 735 CA GLN A 47 3.478 -4.068 12.164 1.00 0.00 C ATOM 736 C GLN A 47 3.455 -2.674 12.784 1.00 0.00 C ATOM 737 O GLN A 47 2.645 -1.829 12.405 1.00 0.00 O ATOM 738 CB GLN A 47 4.749 -4.250 11.333 1.00 0.00 C ATOM 739 CG GLN A 47 4.974 -5.681 10.871 1.00 0.00 C ATOM 740 CD GLN A 47 5.158 -6.644 12.027 1.00 0.00 C ATOM 741 OE1 GLN A 47 5.347 -6.230 13.171 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.104 -7.938 11.734 1.00 0.00 N ATOM 0 H GLN A 47 1.943 -3.451 10.876 1.00 0.00 H new ATOM 0 HA GLN A 47 3.472 -4.804 12.968 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.699 -3.599 10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.608 -3.928 11.922 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.125 -6.002 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.854 -5.718 10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.945 -8.237 10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.221 -8.633 12.471 1.00 0.00 H new ATOM 751 N LEU A 48 4.348 -2.443 13.740 1.00 0.00 N ATOM 752 CA LEU A 48 4.427 -1.151 14.413 1.00 0.00 C ATOM 753 C LEU A 48 5.528 -0.287 13.808 1.00 0.00 C ATOM 754 O LEU A 48 6.713 -0.501 14.067 1.00 0.00 O ATOM 755 CB LEU A 48 4.675 -1.347 15.911 1.00 0.00 C ATOM 756 CG LEU A 48 3.775 -0.513 16.829 1.00 0.00 C ATOM 757 CD1 LEU A 48 2.987 -1.413 17.769 1.00 0.00 C ATOM 758 CD2 LEU A 48 4.601 0.492 17.619 1.00 0.00 C ATOM 0 H LEU A 48 5.026 -3.132 14.066 1.00 0.00 H new ATOM 0 HA LEU A 48 3.475 -0.638 14.275 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.538 -2.401 16.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.715 -1.103 16.127 1.00 0.00 H new ATOM 0 HG LEU A 48 3.068 0.036 16.208 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.354 -0.802 18.412 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.364 -2.091 17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.677 -1.991 18.383 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.944 1.075 18.265 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.333 -0.038 18.229 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.118 1.160 16.930 1.00 0.00 H new ATOM 770 N CYS A 49 5.128 0.691 13.003 1.00 0.00 N ATOM 771 CA CYS A 49 6.079 1.591 12.363 1.00 0.00 C ATOM 772 C CYS A 49 5.643 3.043 12.527 1.00 0.00 C ATOM 773 O CYS A 49 5.027 3.619 11.630 1.00 0.00 O ATOM 774 CB CYS A 49 6.217 1.252 10.878 1.00 0.00 C ATOM 775 SG CYS A 49 6.737 -0.449 10.554 1.00 0.00 S ATOM 0 H CYS A 49 4.151 0.880 12.778 1.00 0.00 H new ATOM 0 HA CYS A 49 7.047 1.462 12.847 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.261 1.428 10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.938 1.933 10.426 1.00 0.00 H new ATOM 0 HG CYS A 49 5.758 -1.105 10.006 1.00 0.00 H new ATOM 781 N LEU A 50 5.962 3.624 13.683 1.00 0.00 N ATOM 782 CA LEU A 50 5.603 5.012 13.982 1.00 0.00 C ATOM 783 C LEU A 50 5.761 5.907 12.755 1.00 0.00 C ATOM 784 O LEU A 50 6.652 5.702 11.931 1.00 0.00 O ATOM 785 CB LEU A 50 6.433 5.573 15.154 1.00 0.00 C ATOM 786 CG LEU A 50 7.775 4.885 15.450 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.571 3.646 16.310 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.514 4.538 14.164 1.00 0.00 C ATOM 0 H LEU A 50 6.471 3.153 14.432 1.00 0.00 H new ATOM 0 HA LEU A 50 4.553 5.009 14.275 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.629 6.627 14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.822 5.526 16.055 1.00 0.00 H new ATOM 0 HG LEU A 50 8.393 5.588 16.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.535 3.176 16.506 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.107 3.931 17.254 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.924 2.942 15.786 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.459 4.053 14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.903 3.863 13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.709 5.450 13.599 1.00 0.00 H new ATOM 800 N ARG A 51 4.876 6.893 12.635 1.00 0.00 N ATOM 801 CA ARG A 51 4.902 7.814 11.504 1.00 0.00 C ATOM 802 C ARG A 51 6.263 8.476 11.360 1.00 0.00 C ATOM 803 O ARG A 51 6.661 8.868 10.263 1.00 0.00 O ATOM 804 CB ARG A 51 3.816 8.881 11.658 1.00 0.00 C ATOM 805 CG ARG A 51 3.445 9.565 10.351 1.00 0.00 C ATOM 806 CD ARG A 51 4.323 10.779 10.087 1.00 0.00 C ATOM 807 NE ARG A 51 3.747 12.002 10.640 1.00 0.00 N ATOM 808 CZ ARG A 51 4.433 13.129 10.819 1.00 0.00 C ATOM 809 NH1 ARG A 51 5.717 13.193 10.491 1.00 0.00 N ATOM 810 NH2 ARG A 51 3.832 14.196 11.329 1.00 0.00 N ATOM 0 H ARG A 51 4.131 7.074 13.308 1.00 0.00 H new ATOM 0 HA ARG A 51 4.708 7.235 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.924 8.421 12.084 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.156 9.634 12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.544 8.857 9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.399 9.871 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.309 10.614 10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.463 10.898 9.013 1.00 0.00 H new ATOM 0 HE ARG A 51 2.762 11.992 10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.185 12.376 10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.236 14.060 10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.845 14.153 11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.357 15.060 11.467 1.00 0.00 H new ATOM 824 N LYS A 52 6.976 8.595 12.469 1.00 0.00 N ATOM 825 CA LYS A 52 8.295 9.208 12.453 1.00 0.00 C ATOM 826 C LYS A 52 9.242 8.400 11.595 1.00 0.00 C ATOM 827 O LYS A 52 9.654 8.842 10.533 1.00 0.00 O ATOM 828 CB LYS A 52 8.848 9.347 13.872 1.00 0.00 C ATOM 829 CG LYS A 52 10.141 10.143 13.947 1.00 0.00 C ATOM 830 CD LYS A 52 9.900 11.557 14.453 1.00 0.00 C ATOM 831 CE LYS A 52 10.015 11.635 15.967 1.00 0.00 C ATOM 832 NZ LYS A 52 11.269 12.314 16.395 1.00 0.00 N ATOM 0 H LYS A 52 6.666 8.277 13.387 1.00 0.00 H new ATOM 0 HA LYS A 52 8.201 10.206 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.098 9.829 14.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.019 8.353 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.844 9.635 14.607 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.602 10.183 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.621 12.235 13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.909 11.891 14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.156 12.172 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.986 10.629 16.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.309 12.347 17.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.090 11.788 16.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.285 13.283 16.017 1.00 0.00 H new ATOM 846 N HIS A 53 9.563 7.206 12.048 1.00 0.00 N ATOM 847 CA HIS A 53 10.450 6.330 11.293 1.00 0.00 C ATOM 848 C HIS A 53 9.854 6.034 9.926 1.00 0.00 C ATOM 849 O HIS A 53 10.564 5.663 8.992 1.00 0.00 O ATOM 850 CB HIS A 53 10.705 5.029 12.054 1.00 0.00 C ATOM 851 CG HIS A 53 11.807 4.201 11.470 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.581 3.054 10.737 1.00 0.00 N ATOM 853 CD2 HIS A 53 13.152 4.358 11.511 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.737 2.543 10.354 1.00 0.00 C ATOM 855 NE2 HIS A 53 13.705 3.315 10.810 1.00 0.00 N ATOM 0 H HIS A 53 9.228 6.817 12.929 1.00 0.00 H new ATOM 0 HA HIS A 53 11.404 6.839 11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.949 5.265 13.090 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.788 4.440 12.069 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.689 5.155 12.003 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.868 1.646 9.767 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.703 3.162 10.665 1.00 0.00 H new ATOM 864 N LEU A 54 8.544 6.220 9.813 1.00 0.00 N ATOM 865 CA LEU A 54 7.853 5.995 8.558 1.00 0.00 C ATOM 866 C LEU A 54 8.200 7.090 7.560 1.00 0.00 C ATOM 867 O LEU A 54 8.116 6.885 6.349 1.00 0.00 O ATOM 868 CB LEU A 54 6.341 5.944 8.782 1.00 0.00 C ATOM 869 CG LEU A 54 5.559 5.133 7.747 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.498 4.279 8.425 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.924 6.055 6.717 1.00 0.00 C ATOM 0 H LEU A 54 7.943 6.526 10.578 1.00 0.00 H new ATOM 0 HA LEU A 54 8.177 5.036 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.150 5.524 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.956 6.964 8.789 1.00 0.00 H new ATOM 0 HG LEU A 54 6.255 4.470 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.953 3.710 7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.976 3.592 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.804 4.922 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.372 5.461 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.242 6.743 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.703 6.622 6.207 1.00 0.00 H new ATOM 883 N LEU A 55 8.597 8.256 8.069 1.00 0.00 N ATOM 884 CA LEU A 55 8.955 9.365 7.195 1.00 0.00 C ATOM 885 C LEU A 55 10.341 9.167 6.583 1.00 0.00 C ATOM 886 O LEU A 55 10.732 9.892 5.671 1.00 0.00 O ATOM 887 CB LEU A 55 8.828 10.719 7.933 1.00 0.00 C ATOM 888 CG LEU A 55 10.000 11.216 8.820 1.00 0.00 C ATOM 889 CD1 LEU A 55 9.494 11.560 10.214 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.151 10.224 8.921 1.00 0.00 C ATOM 0 H LEU A 55 8.677 8.453 9.067 1.00 0.00 H new ATOM 0 HA LEU A 55 8.246 9.384 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.639 11.485 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.940 10.666 8.563 1.00 0.00 H new ATOM 0 HG LEU A 55 10.396 12.106 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.325 11.908 10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.741 12.345 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.053 10.674 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.934 10.638 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.790 9.290 9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.554 10.032 7.927 1.00 0.00 H new ATOM 902 N GLU A 56 11.083 8.178 7.090 1.00 0.00 N ATOM 903 CA GLU A 56 12.419 7.894 6.584 1.00 0.00 C ATOM 904 C GLU A 56 12.373 6.880 5.447 1.00 0.00 C ATOM 905 O GLU A 56 13.308 6.785 4.652 1.00 0.00 O ATOM 906 CB GLU A 56 13.315 7.375 7.711 1.00 0.00 C ATOM 907 CG GLU A 56 14.006 8.477 8.497 1.00 0.00 C ATOM 908 CD GLU A 56 15.495 8.548 8.218 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.095 7.492 7.926 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.060 9.659 8.291 1.00 0.00 O ATOM 0 H GLU A 56 10.778 7.566 7.847 1.00 0.00 H new ATOM 0 HA GLU A 56 12.835 8.824 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.714 6.775 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.071 6.714 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.548 9.435 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.847 8.312 9.563 1.00 0.00 H new ATOM 917 N GLU A 57 11.286 6.119 5.374 1.00 0.00 N ATOM 918 CA GLU A 57 11.135 5.113 4.330 1.00 0.00 C ATOM 919 C GLU A 57 10.463 5.696 3.097 1.00 0.00 C ATOM 920 O GLU A 57 10.696 5.241 1.977 1.00 0.00 O ATOM 921 CB GLU A 57 10.340 3.913 4.849 1.00 0.00 C ATOM 922 CG GLU A 57 10.763 3.457 6.236 1.00 0.00 C ATOM 923 CD GLU A 57 12.167 2.885 6.258 1.00 0.00 C ATOM 924 OE1 GLU A 57 12.495 2.082 5.361 1.00 0.00 O ATOM 925 OE2 GLU A 57 12.938 3.241 7.174 1.00 0.00 O ATOM 0 H GLU A 57 10.501 6.179 6.022 1.00 0.00 H new ATOM 0 HA GLU A 57 12.132 4.777 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.281 4.170 4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.455 3.083 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.707 4.300 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.062 2.704 6.597 1.00 0.00 H new ATOM 932 N ILE A 58 9.654 6.721 3.303 1.00 0.00 N ATOM 933 CA ILE A 58 8.980 7.379 2.195 1.00 0.00 C ATOM 934 C ILE A 58 9.791 8.583 1.733 1.00 0.00 C ATOM 935 O ILE A 58 9.592 9.095 0.631 1.00 0.00 O ATOM 936 CB ILE A 58 7.549 7.822 2.558 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.822 6.698 3.311 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.791 8.210 1.294 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.315 6.865 3.380 1.00 0.00 C ATOM 0 H ILE A 58 9.448 7.114 4.221 1.00 0.00 H new ATOM 0 HA ILE A 58 8.902 6.651 1.387 1.00 0.00 H new ATOM 0 HB ILE A 58 7.597 8.693 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.049 5.747 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.216 6.642 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.780 8.522 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.307 9.032 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.743 7.354 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.881 6.029 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.075 7.797 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.905 6.889 2.370 1.00 0.00 H new ATOM 951 N LYS A 59 10.727 9.016 2.576 1.00 0.00 N ATOM 952 CA LYS A 59 11.589 10.139 2.247 1.00 0.00 C ATOM 953 C LYS A 59 12.877 9.639 1.606 1.00 0.00 C ATOM 954 O LYS A 59 13.479 10.329 0.784 1.00 0.00 O ATOM 955 CB LYS A 59 11.909 10.959 3.498 1.00 0.00 C ATOM 956 CG LYS A 59 12.790 12.167 3.226 1.00 0.00 C ATOM 957 CD LYS A 59 13.740 12.435 4.382 1.00 0.00 C ATOM 958 CE LYS A 59 13.146 13.424 5.371 1.00 0.00 C ATOM 959 NZ LYS A 59 12.668 14.664 4.698 1.00 0.00 N ATOM 0 H LYS A 59 10.904 8.603 3.492 1.00 0.00 H new ATOM 0 HA LYS A 59 11.065 10.781 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.976 11.295 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.403 10.316 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.363 12.003 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.165 13.044 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.967 11.499 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.683 12.825 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.316 12.955 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.895 13.683 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.654 15.447 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.307 14.901 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.708 14.510 4.328 1.00 0.00 H new ATOM 973 N ASN A 60 13.291 8.426 1.977 1.00 0.00 N ATOM 974 CA ASN A 60 14.500 7.841 1.420 1.00 0.00 C ATOM 975 C ASN A 60 14.290 7.500 -0.050 1.00 0.00 C ATOM 976 O ASN A 60 15.218 7.569 -0.856 1.00 0.00 O ATOM 977 CB ASN A 60 14.896 6.584 2.200 1.00 0.00 C ATOM 978 CG ASN A 60 16.176 5.960 1.679 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.262 5.571 0.514 1.00 0.00 O ATOM 980 ND2 ASN A 60 17.180 5.860 2.543 1.00 0.00 N ATOM 0 H ASN A 60 12.808 7.838 2.656 1.00 0.00 H new ATOM 0 HA ASN A 60 15.306 8.570 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.021 6.837 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.089 5.854 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.066 5.448 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.065 6.195 3.499 1.00 0.00 H new ATOM 987 N HIS A 61 13.057 7.137 -0.389 1.00 0.00 N ATOM 988 CA HIS A 61 12.708 6.789 -1.755 1.00 0.00 C ATOM 989 C HIS A 61 12.363 8.036 -2.563 1.00 0.00 C ATOM 990 O HIS A 61 13.014 8.339 -3.562 1.00 0.00 O ATOM 991 CB HIS A 61 11.527 5.816 -1.768 1.00 0.00 C ATOM 992 CG HIS A 61 11.330 5.132 -3.085 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.254 4.311 -3.354 1.00 0.00 N ATOM 994 CD2 HIS A 61 12.077 5.151 -4.215 1.00 0.00 C ATOM 995 CE1 HIS A 61 10.349 3.855 -4.590 1.00 0.00 C ATOM 996 NE2 HIS A 61 11.445 4.350 -5.134 1.00 0.00 N ATOM 0 H HIS A 61 12.281 7.077 0.271 1.00 0.00 H new ATOM 0 HA HIS A 61 13.572 6.309 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.679 5.062 -0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.617 6.358 -1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.998 5.695 -4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.649 3.190 -5.073 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.770 4.167 -6.083 1.00 0.00 H new ATOM 1005 N ALA A 62 11.332 8.755 -2.123 1.00 0.00 N ATOM 1006 CA ALA A 62 10.898 9.970 -2.807 1.00 0.00 C ATOM 1007 C ALA A 62 9.653 10.561 -2.153 1.00 0.00 C ATOM 1008 O ALA A 62 8.530 10.278 -2.572 1.00 0.00 O ATOM 1009 CB ALA A 62 10.630 9.681 -4.278 1.00 0.00 C ATOM 0 H ALA A 62 10.783 8.517 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 62 11.701 10.703 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.307 10.596 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.542 9.314 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.849 8.926 -4.364 1.00 0.00 H new ATOM 1015 N LYS A 63 9.856 11.394 -1.136 1.00 0.00 N ATOM 1016 CA LYS A 63 8.742 12.038 -0.439 1.00 0.00 C ATOM 1017 C LYS A 63 8.104 13.099 -1.333 1.00 0.00 C ATOM 1018 O LYS A 63 8.099 14.286 -1.004 1.00 0.00 O ATOM 1019 CB LYS A 63 9.212 12.673 0.877 1.00 0.00 C ATOM 1020 CG LYS A 63 10.596 13.310 0.812 1.00 0.00 C ATOM 1021 CD LYS A 63 10.742 14.232 -0.390 1.00 0.00 C ATOM 1022 CE LYS A 63 12.157 14.774 -0.507 1.00 0.00 C ATOM 1023 NZ LYS A 63 12.450 15.794 0.537 1.00 0.00 N ATOM 0 H LYS A 63 10.778 11.640 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 63 8.000 11.274 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.490 13.432 1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.214 11.909 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.779 13.874 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.353 12.528 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.482 13.690 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.040 15.061 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.868 13.953 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.296 15.215 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.425 16.138 0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.788 16.590 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.342 15.367 1.479 1.00 0.00 H new ATOM 1092 N ARG A 68 5.164 17.565 0.608 1.00 0.00 N ATOM 1093 CA ARG A 68 4.046 16.629 0.601 1.00 0.00 C ATOM 1094 C ARG A 68 4.181 15.613 1.731 1.00 0.00 C ATOM 1095 O ARG A 68 4.176 14.404 1.496 1.00 0.00 O ATOM 1096 CB ARG A 68 3.968 15.908 -0.746 1.00 0.00 C ATOM 1097 CG ARG A 68 3.316 16.733 -1.843 1.00 0.00 C ATOM 1098 CD ARG A 68 1.819 16.871 -1.622 1.00 0.00 C ATOM 1099 NE ARG A 68 1.206 17.790 -2.579 1.00 0.00 N ATOM 1100 CZ ARG A 68 -0.096 17.816 -2.853 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -0.927 16.976 -2.247 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -0.570 18.685 -3.735 1.00 0.00 N ATOM 0 HA ARG A 68 3.127 17.195 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.975 15.633 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.409 14.981 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.773 17.722 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.500 16.265 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.348 15.892 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.634 17.226 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 68 1.812 18.451 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.568 16.306 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.924 17.001 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.063 19.333 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.568 18.705 -3.945 1.00 0.00 H new ATOM 1116 N ASN A 69 4.309 16.115 2.959 1.00 0.00 N ATOM 1117 CA ASN A 69 4.452 15.258 4.136 1.00 0.00 C ATOM 1118 C ASN A 69 3.517 14.053 4.067 1.00 0.00 C ATOM 1119 O ASN A 69 2.406 14.146 3.544 1.00 0.00 O ATOM 1120 CB ASN A 69 4.175 16.058 5.410 1.00 0.00 C ATOM 1121 CG ASN A 69 2.798 16.691 5.406 1.00 0.00 C ATOM 1122 OD1 ASN A 69 1.826 16.096 5.871 1.00 0.00 O ATOM 1123 ND2 ASN A 69 2.708 17.906 4.877 1.00 0.00 N ATOM 0 H ASN A 69 4.317 17.114 3.165 1.00 0.00 H new ATOM 0 HA ASN A 69 5.478 14.890 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.268 15.402 6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.930 16.837 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.807 18.383 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.540 18.362 4.503 1.00 0.00 H new ATOM 1130 N VAL A 70 3.978 12.923 4.591 1.00 0.00 N ATOM 1131 CA VAL A 70 3.186 11.696 4.581 1.00 0.00 C ATOM 1132 C VAL A 70 1.858 11.889 5.295 1.00 0.00 C ATOM 1133 O VAL A 70 0.844 11.310 4.907 1.00 0.00 O ATOM 1134 CB VAL A 70 3.932 10.508 5.229 1.00 0.00 C ATOM 1135 CG1 VAL A 70 4.715 9.736 4.183 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.849 10.974 6.350 1.00 0.00 C ATOM 0 H VAL A 70 4.895 12.830 5.028 1.00 0.00 H new ATOM 0 HA VAL A 70 3.009 11.464 3.531 1.00 0.00 H new ATOM 0 HB VAL A 70 3.186 9.844 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.234 8.903 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.031 9.353 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.444 10.397 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.359 10.114 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.587 11.670 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.259 11.473 7.119 1.00 0.00 H new ATOM 1146 N ASP A 71 1.876 12.703 6.341 1.00 0.00 N ATOM 1147 CA ASP A 71 0.677 12.978 7.129 1.00 0.00 C ATOM 1148 C ASP A 71 -0.521 13.263 6.239 1.00 0.00 C ATOM 1149 O ASP A 71 -1.468 12.478 6.181 1.00 0.00 O ATOM 1150 CB ASP A 71 0.919 14.156 8.075 1.00 0.00 C ATOM 1151 CG ASP A 71 0.127 14.034 9.363 1.00 0.00 C ATOM 1152 OD1 ASP A 71 -0.170 12.892 9.771 1.00 0.00 O ATOM 1153 OD2 ASP A 71 -0.196 15.081 9.962 1.00 0.00 O ATOM 0 H ASP A 71 2.712 13.188 6.667 1.00 0.00 H new ATOM 0 HA ASP A 71 0.456 12.087 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.982 14.218 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.649 15.084 7.572 1.00 0.00 H new ATOM 1158 N VAL A 72 -0.466 14.380 5.541 1.00 0.00 N ATOM 1159 CA VAL A 72 -1.546 14.763 4.640 1.00 0.00 C ATOM 1160 C VAL A 72 -1.743 13.703 3.570 1.00 0.00 C ATOM 1161 O VAL A 72 -2.832 13.555 3.016 1.00 0.00 O ATOM 1162 CB VAL A 72 -1.280 16.125 3.971 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -2.482 16.561 3.147 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -0.933 17.175 5.017 1.00 0.00 C ATOM 0 H VAL A 72 0.311 15.040 5.577 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.451 14.851 5.241 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.428 16.018 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.274 17.525 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.680 15.820 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.354 16.651 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.748 18.130 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.763 17.280 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.039 16.867 5.559 1.00 0.00 H new ATOM 1174 N HIS A 73 -0.686 12.949 3.304 1.00 0.00 N ATOM 1175 CA HIS A 73 -0.746 11.882 2.322 1.00 0.00 C ATOM 1176 C HIS A 73 -1.552 10.717 2.876 1.00 0.00 C ATOM 1177 O HIS A 73 -2.162 9.957 2.125 1.00 0.00 O ATOM 1178 CB HIS A 73 0.662 11.421 1.943 1.00 0.00 C ATOM 1179 CG HIS A 73 1.138 11.967 0.633 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.552 11.166 -0.412 1.00 0.00 N ATOM 1181 CD2 HIS A 73 1.266 13.244 0.199 1.00 0.00 C ATOM 1182 CE1 HIS A 73 1.915 11.927 -1.429 1.00 0.00 C ATOM 1183 NE2 HIS A 73 1.751 13.190 -1.085 1.00 0.00 N ATOM 0 H HIS A 73 0.222 13.058 3.756 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.236 12.258 1.424 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.357 11.722 2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.680 10.332 1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.031 14.138 0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.284 11.575 -2.381 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.952 13.996 -1.677 1.00 0.00 H new ATOM 1192 N ILE A 74 -1.563 10.590 4.200 1.00 0.00 N ATOM 1193 CA ILE A 74 -2.310 9.524 4.851 1.00 0.00 C ATOM 1194 C ILE A 74 -3.793 9.652 4.540 1.00 0.00 C ATOM 1195 O ILE A 74 -4.500 8.654 4.402 1.00 0.00 O ATOM 1196 CB ILE A 74 -2.116 9.530 6.383 1.00 0.00 C ATOM 1197 CG1 ILE A 74 -0.629 9.560 6.747 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.790 8.316 7.005 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.214 8.577 5.963 1.00 0.00 C ATOM 0 H ILE A 74 -1.065 11.210 4.839 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.924 8.582 4.461 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.580 10.432 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.245 10.566 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.521 9.349 7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.645 8.333 8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.857 8.338 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.352 7.406 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.255 8.658 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.143 7.564 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.138 8.800 4.899 1.00 0.00 H new ATOM 1211 N ALA A 75 -4.253 10.890 4.426 1.00 0.00 N ATOM 1212 CA ALA A 75 -5.651 11.157 4.124 1.00 0.00 C ATOM 1213 C ALA A 75 -5.969 10.801 2.684 1.00 0.00 C ATOM 1214 O ALA A 75 -7.008 10.211 2.389 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.993 12.612 4.407 1.00 0.00 C ATOM 0 H ALA A 75 -3.678 11.725 4.538 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.264 10.530 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.043 12.791 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.812 12.830 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.370 13.259 3.790 1.00 0.00 H new ATOM 1221 N SER A 76 -5.056 11.147 1.794 1.00 0.00 N ATOM 1222 CA SER A 76 -5.221 10.849 0.379 1.00 0.00 C ATOM 1223 C SER A 76 -5.119 9.349 0.149 1.00 0.00 C ATOM 1224 O SER A 76 -5.684 8.813 -0.805 1.00 0.00 O ATOM 1225 CB SER A 76 -4.171 11.586 -0.454 1.00 0.00 C ATOM 1226 OG SER A 76 -4.585 12.910 -0.740 1.00 0.00 O ATOM 0 H SER A 76 -4.191 11.635 2.025 1.00 0.00 H new ATOM 0 HA SER A 76 -6.207 11.190 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.224 11.606 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.997 11.047 -1.385 1.00 0.00 H new ATOM 0 HG SER A 76 -3.896 13.360 -1.272 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.405 8.676 1.043 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.239 7.236 0.956 1.00 0.00 C ATOM 1234 C LEU A 77 -5.565 6.538 1.208 1.00 0.00 C ATOM 1235 O LEU A 77 -5.819 5.452 0.687 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.185 6.759 1.960 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.784 6.544 1.381 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.678 5.168 0.742 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.446 7.629 0.368 1.00 0.00 C ATOM 0 H LEU A 77 -3.932 9.108 1.837 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.898 6.984 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.119 7.488 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.525 5.823 2.403 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.064 6.604 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.676 5.032 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.872 4.402 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.410 5.082 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.446 7.456 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.170 7.605 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.479 8.604 0.854 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.415 7.178 2.002 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.725 6.626 2.315 1.00 0.00 C ATOM 1253 C ARG A 78 -8.567 6.501 1.053 1.00 0.00 C ATOM 1254 O ARG A 78 -9.432 5.631 0.953 1.00 0.00 O ATOM 1255 CB ARG A 78 -8.443 7.502 3.343 1.00 0.00 C ATOM 1256 CG ARG A 78 -9.401 6.730 4.236 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.318 7.197 5.680 1.00 0.00 C ATOM 1258 NE ARG A 78 -10.215 6.443 6.553 1.00 0.00 N ATOM 1259 CZ ARG A 78 -11.523 6.669 6.645 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -12.091 7.626 5.922 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -12.266 5.937 7.464 1.00 0.00 N ATOM 0 H ARG A 78 -6.220 8.078 2.440 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.585 5.632 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.700 8.000 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.996 8.283 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.420 6.854 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.171 5.666 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.293 7.092 6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.567 8.257 5.733 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.815 5.700 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.524 8.193 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.094 7.794 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.835 5.201 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.269 6.110 7.535 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.305 7.376 0.090 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.036 7.365 -1.172 1.00 0.00 C ATOM 1277 C LYS A 79 -8.348 6.475 -2.195 1.00 0.00 C ATOM 1278 O LYS A 79 -8.981 5.639 -2.838 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.177 8.786 -1.720 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.319 9.569 -1.094 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.229 11.050 -1.428 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.813 11.908 -0.318 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.660 13.362 -0.601 1.00 0.00 N ATOM 0 H LYS A 79 -7.592 8.102 0.158 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.030 6.960 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.244 9.325 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.329 8.737 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.270 9.172 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.302 9.437 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.187 11.324 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.760 11.247 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.870 11.672 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.320 11.668 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.071 13.913 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.650 13.593 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.152 13.597 -1.487 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.048 6.662 -2.332 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.253 5.879 -3.271 1.00 0.00 C ATOM 1299 C LYS A 80 -6.326 4.399 -2.930 1.00 0.00 C ATOM 1300 O LYS A 80 -6.813 3.585 -3.713 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.797 6.351 -3.253 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.261 6.726 -4.625 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.008 8.221 -4.737 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.218 8.951 -5.298 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.348 10.324 -4.737 1.00 0.00 N ATOM 0 H LYS A 80 -6.514 7.352 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.660 6.025 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.711 7.213 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.173 5.562 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.334 6.184 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.973 6.418 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.762 8.624 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.145 8.398 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.136 9.009 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.120 8.381 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.185 10.788 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.452 10.268 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.498 10.876 -4.970 1.00 0.00 H new ATOM 1319 N LEU A 81 -5.838 4.073 -1.749 1.00 0.00 N ATOM 1320 CA LEU A 81 -5.832 2.697 -1.264 1.00 0.00 C ATOM 1321 C LEU A 81 -7.252 2.147 -1.168 1.00 0.00 C ATOM 1322 O LEU A 81 -7.639 1.265 -1.934 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.146 2.629 0.104 1.00 0.00 C ATOM 1324 CG LEU A 81 -4.997 1.228 0.708 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.709 0.192 -0.369 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.894 1.228 1.755 1.00 0.00 C ATOM 0 H LEU A 81 -5.435 4.747 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.277 2.084 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.154 3.072 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.710 3.247 0.803 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.940 0.959 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.608 -0.792 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.529 0.175 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.783 0.449 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.795 0.229 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.952 1.520 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.144 1.935 2.546 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.026 2.675 -0.224 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.396 2.225 -0.049 1.00 0.00 C ATOM 1340 C GLY A 82 -9.645 1.634 1.325 1.00 0.00 C ATOM 1341 O GLY A 82 -9.320 2.248 2.341 1.00 0.00 O ATOM 0 H GLY A 82 -7.729 3.406 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.073 3.064 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.629 1.479 -0.809 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.225 0.438 1.356 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.520 -0.240 2.614 1.00 0.00 C ATOM 1347 C ALA A 83 -9.247 -0.519 3.409 1.00 0.00 C ATOM 1348 O ALA A 83 -9.300 -0.780 4.611 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.273 -1.535 2.350 1.00 0.00 C ATOM 0 H ALA A 83 -10.500 -0.082 0.523 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.148 0.421 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.487 -2.031 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.209 -1.314 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.664 -2.190 1.727 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.105 -0.459 2.733 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.821 -0.700 3.374 1.00 0.00 C ATOM 1357 C TYR A 84 -6.248 0.600 3.927 1.00 0.00 C ATOM 1358 O TYR A 84 -5.502 0.593 4.904 1.00 0.00 O ATOM 1359 CB TYR A 84 -5.840 -1.321 2.377 1.00 0.00 C ATOM 1360 CG TYR A 84 -5.749 -2.828 2.468 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -5.694 -3.470 3.699 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.714 -3.610 1.319 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -5.608 -4.847 3.782 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.629 -4.987 1.395 1.00 0.00 C ATOM 1365 CZ TYR A 84 -5.576 -5.600 2.628 1.00 0.00 C ATOM 1366 OH TYR A 84 -5.490 -6.972 2.707 1.00 0.00 O ATOM 0 H TYR A 84 -8.044 -0.245 1.738 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.973 -1.394 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.140 -1.045 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.850 -0.896 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.719 -2.884 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.754 -3.133 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.566 -5.331 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.604 -5.580 0.493 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.938 -7.373 1.933 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.604 1.717 3.295 1.00 0.00 N ATOM 1377 CA GLY A 85 -6.116 3.009 3.744 1.00 0.00 C ATOM 1378 C GLY A 85 -6.363 3.228 5.221 1.00 0.00 C ATOM 1379 O GLY A 85 -5.546 3.835 5.914 1.00 0.00 O ATOM 0 H GLY A 85 -7.220 1.749 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.048 3.083 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.605 3.799 3.174 1.00 0.00 H new ATOM 1383 N SER A 86 -7.491 2.721 5.705 1.00 0.00 N ATOM 1384 CA SER A 86 -7.845 2.850 7.111 1.00 0.00 C ATOM 1385 C SER A 86 -6.951 1.964 7.976 1.00 0.00 C ATOM 1386 O SER A 86 -6.892 2.131 9.194 1.00 0.00 O ATOM 1387 CB SER A 86 -9.313 2.477 7.326 1.00 0.00 C ATOM 1388 OG SER A 86 -9.592 2.268 8.699 1.00 0.00 O ATOM 0 H SER A 86 -8.176 2.216 5.143 1.00 0.00 H new ATOM 0 HA SER A 86 -7.696 3.889 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.953 3.270 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.548 1.574 6.763 1.00 0.00 H new ATOM 0 HG SER A 86 -10.537 2.032 8.809 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.253 1.023 7.340 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.361 0.117 8.058 1.00 0.00 C ATOM 1396 C ARG A 87 -4.349 0.897 8.890 1.00 0.00 C ATOM 1397 O ARG A 87 -4.130 0.594 10.062 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.631 -0.800 7.075 1.00 0.00 C ATOM 1399 CG ARG A 87 -3.685 -1.784 7.744 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.004 -2.685 6.725 1.00 0.00 C ATOM 1401 NE ARG A 87 -1.871 -2.026 6.079 1.00 0.00 N ATOM 1402 CZ ARG A 87 -1.970 -1.274 4.984 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -3.149 -1.072 4.408 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -0.885 -0.720 4.463 1.00 0.00 N ATOM 0 H ARG A 87 -6.289 0.870 6.332 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.966 -0.491 8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.368 -1.355 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.066 -0.188 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.930 -1.237 8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.238 -2.394 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.661 -3.595 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.727 -2.987 5.968 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.947 -2.150 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.989 -1.494 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.215 -0.495 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.024 -0.870 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.959 -0.144 3.625 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.739 1.907 8.276 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.750 2.736 8.962 1.00 0.00 C ATOM 1420 C ILE A 88 -3.336 3.333 10.239 1.00 0.00 C ATOM 1421 O ILE A 88 -3.942 4.405 10.212 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.241 3.879 8.057 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.843 3.336 6.681 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -1.065 4.592 8.712 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.217 4.375 5.775 1.00 0.00 C ATOM 0 H ILE A 88 -3.911 2.172 7.306 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.910 2.088 9.214 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.048 4.599 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.141 2.513 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.727 2.926 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.718 5.395 8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.380 5.010 9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.254 3.882 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.961 3.918 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.924 5.188 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.314 4.768 6.242 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.159 2.630 11.355 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.680 3.090 12.637 1.00 0.00 C ATOM 1439 C VAL A 89 -2.658 3.943 13.380 1.00 0.00 C ATOM 1440 O VAL A 89 -1.458 3.864 13.118 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.091 1.907 13.534 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.858 2.400 14.752 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.916 0.900 12.749 1.00 0.00 C ATOM 0 H VAL A 89 -2.660 1.742 11.396 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.559 3.695 12.417 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.186 1.408 13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.140 1.550 15.373 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.229 3.078 15.328 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.756 2.926 14.428 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.196 0.072 13.401 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.816 1.384 12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.328 0.521 11.913 1.00 0.00 H new ATOM 1453 N THR A 90 -3.145 4.755 14.312 1.00 0.00 N ATOM 1454 CA THR A 90 -2.282 5.625 15.103 1.00 0.00 C ATOM 1455 C THR A 90 -2.709 5.617 16.567 1.00 0.00 C ATOM 1456 O THR A 90 -3.894 5.730 16.878 1.00 0.00 O ATOM 1457 CB THR A 90 -2.319 7.052 14.555 1.00 0.00 C ATOM 1458 OG1 THR A 90 -2.079 7.060 13.158 1.00 0.00 O ATOM 1459 CG2 THR A 90 -1.302 7.968 15.200 1.00 0.00 C ATOM 0 H THR A 90 -4.137 4.829 14.539 1.00 0.00 H new ATOM 0 HA THR A 90 -1.262 5.247 15.035 1.00 0.00 H new ATOM 0 HB THR A 90 -3.317 7.424 14.787 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.519 7.831 12.927 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.382 8.964 14.765 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.491 8.024 16.272 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.299 7.577 15.028 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.738 5.478 17.463 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.019 5.451 18.894 1.00 0.00 C ATOM 1469 C LEU A 91 -1.098 6.401 19.653 1.00 0.00 C ATOM 1470 O LEU A 91 0.075 6.551 19.310 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.864 4.026 19.434 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.177 3.278 19.672 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.572 2.486 18.436 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -3.054 2.359 20.879 1.00 0.00 C ATOM 0 H LEU A 91 -0.751 5.382 17.224 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.047 5.782 19.044 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.258 3.452 18.733 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.312 4.067 20.373 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.959 4.010 19.874 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.508 1.961 18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.700 3.166 17.594 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.791 1.763 18.202 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.997 1.834 21.034 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.259 1.633 20.704 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.818 2.950 21.764 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.637 7.037 20.689 1.00 0.00 N ATOM 1487 CA ARG A 92 -0.863 7.969 21.500 1.00 0.00 C ATOM 1488 C ARG A 92 -0.166 7.239 22.643 1.00 0.00 C ATOM 1489 O ARG A 92 -0.632 7.253 23.782 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.767 9.072 22.054 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.831 10.306 21.170 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.559 11.132 21.273 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.397 12.035 20.135 1.00 0.00 N ATOM 1494 CZ ARG A 92 0.101 11.663 18.958 1.00 0.00 C ATOM 1495 NH1 ARG A 92 0.484 10.408 18.755 1.00 0.00 N ATOM 1496 NH2 ARG A 92 0.215 12.549 17.978 1.00 0.00 N ATOM 0 H ARG A 92 -2.606 6.924 20.986 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.103 8.423 20.865 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.774 8.675 22.183 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.410 9.361 23.042 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.988 10.005 20.134 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.687 10.917 21.457 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.577 11.712 22.196 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.302 10.466 21.332 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.682 13.008 20.250 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.398 9.721 19.504 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.865 10.131 17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.079 13.514 18.127 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.596 12.265 17.076 1.00 0.00 H new ATOM 1510 N GLY A 93 0.951 6.597 22.323 1.00 0.00 N ATOM 1511 CA GLY A 93 1.703 5.860 23.321 1.00 0.00 C ATOM 1512 C GLY A 93 2.581 4.797 22.695 1.00 0.00 C ATOM 1513 O GLY A 93 3.708 4.571 23.135 1.00 0.00 O ATOM 0 H GLY A 93 1.351 6.574 21.385 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.322 6.551 23.893 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.013 5.393 24.024 1.00 0.00 H new ATOM 1517 N VAL A 94 2.062 4.151 21.657 1.00 0.00 N ATOM 1518 CA VAL A 94 2.801 3.113 20.954 1.00 0.00 C ATOM 1519 C VAL A 94 3.205 3.589 19.562 1.00 0.00 C ATOM 1520 O VAL A 94 4.259 3.215 19.048 1.00 0.00 O ATOM 1521 CB VAL A 94 1.976 1.816 20.831 1.00 0.00 C ATOM 1522 CG1 VAL A 94 0.725 2.048 19.996 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.822 0.700 20.240 1.00 0.00 C ATOM 0 H VAL A 94 1.130 4.330 21.284 1.00 0.00 H new ATOM 0 HA VAL A 94 3.696 2.901 21.539 1.00 0.00 H new ATOM 0 HB VAL A 94 1.662 1.514 21.830 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.159 1.119 19.923 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.109 2.813 20.469 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.010 2.378 18.997 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.223 -0.207 20.161 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.170 0.993 19.249 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.680 0.513 20.886 1.00 0.00 H new ATOM 1533 N GLY A 95 2.360 4.423 18.962 1.00 0.00 N ATOM 1534 CA GLY A 95 2.647 4.946 17.640 1.00 0.00 C ATOM 1535 C GLY A 95 1.758 4.355 16.565 1.00 0.00 C ATOM 1536 O GLY A 95 0.708 3.783 16.857 1.00 0.00 O ATOM 0 H GLY A 95 1.482 4.745 19.369 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.526 6.029 17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.689 4.744 17.394 1.00 0.00 H new ATOM 1540 N TYR A 96 2.186 4.499 15.317 1.00 0.00 N ATOM 1541 CA TYR A 96 1.435 3.985 14.180 1.00 0.00 C ATOM 1542 C TYR A 96 1.464 2.461 14.156 1.00 0.00 C ATOM 1543 O TYR A 96 2.523 1.847 14.283 1.00 0.00 O ATOM 1544 CB TYR A 96 2.015 4.539 12.876 1.00 0.00 C ATOM 1545 CG TYR A 96 1.272 5.744 12.344 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.124 6.888 13.119 1.00 0.00 C ATOM 1547 CD2 TYR A 96 0.721 5.739 11.069 1.00 0.00 C ATOM 1548 CE1 TYR A 96 0.448 7.993 12.638 1.00 0.00 C ATOM 1549 CE2 TYR A 96 0.044 6.841 10.580 1.00 0.00 C ATOM 1550 CZ TYR A 96 -0.090 7.964 11.368 1.00 0.00 C ATOM 1551 OH TYR A 96 -0.764 9.063 10.885 1.00 0.00 O ATOM 0 H TYR A 96 3.055 4.971 15.066 1.00 0.00 H new ATOM 0 HA TYR A 96 0.399 4.308 14.278 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.058 4.809 13.039 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.003 3.753 12.121 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.544 6.914 14.114 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.823 4.860 10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.341 8.874 13.253 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.378 6.822 9.586 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.079 8.880 9.975 1.00 0.00 H new ATOM 1561 N LEU A 97 0.292 1.858 13.994 1.00 0.00 N ATOM 1562 CA LEU A 97 0.182 0.405 13.954 1.00 0.00 C ATOM 1563 C LEU A 97 -0.803 -0.035 12.876 1.00 0.00 C ATOM 1564 O LEU A 97 -1.974 -0.292 13.155 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.257 -0.128 15.322 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.184 -1.649 15.495 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.419 -2.311 14.907 1.00 0.00 C ATOM 1568 CD2 LEU A 97 1.078 -2.210 14.853 1.00 0.00 C ATOM 0 H LEU A 97 -0.594 2.352 13.888 1.00 0.00 H new ATOM 0 HA LEU A 97 1.161 -0.007 13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.363 0.337 16.089 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.283 0.192 15.504 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.147 -1.867 16.562 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.350 -3.391 15.039 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.308 -1.939 15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.485 -2.078 13.844 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.106 -3.291 14.990 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.078 -1.979 13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.954 -1.762 15.321 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.318 -0.117 11.641 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.155 -0.523 10.517 1.00 0.00 C ATOM 1582 C PHE A 98 -1.518 -2.002 10.616 1.00 0.00 C ATOM 1583 O PHE A 98 -0.902 -2.850 9.972 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.449 -0.234 9.185 1.00 0.00 C ATOM 1585 CG PHE A 98 0.931 -0.827 9.075 1.00 0.00 C ATOM 1586 CD1 PHE A 98 2.030 -0.161 9.593 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.127 -2.047 8.448 1.00 0.00 C ATOM 1588 CE1 PHE A 98 3.298 -0.702 9.489 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.392 -2.593 8.342 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.479 -1.919 8.863 1.00 0.00 C ATOM 0 H PHE A 98 0.649 0.092 11.393 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.076 0.059 10.555 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.063 -0.618 8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.380 0.845 9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.895 0.792 10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.281 -2.578 8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.146 -0.173 9.897 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.530 -3.546 7.852 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.469 -2.343 8.781 1.00 0.00 H new ATOM 1600 N SER A 99 -2.522 -2.302 11.432 1.00 0.00 N ATOM 1601 CA SER A 99 -2.967 -3.679 11.623 1.00 0.00 C ATOM 1602 C SER A 99 -4.219 -3.976 10.804 1.00 0.00 C ATOM 1603 O SER A 99 -5.166 -3.189 10.786 1.00 0.00 O ATOM 1604 CB SER A 99 -3.244 -3.948 13.103 1.00 0.00 C ATOM 1605 OG SER A 99 -2.163 -4.637 13.707 1.00 0.00 O ATOM 0 H SER A 99 -3.043 -1.611 11.972 1.00 0.00 H new ATOM 0 HA SER A 99 -2.168 -4.336 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.413 -3.004 13.622 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.156 -4.536 13.205 1.00 0.00 H new ATOM 0 HG SER A 99 -2.440 -4.977 14.583 1.00 0.00 H new