USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 958 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 104 GLN : amide:sc= -3.71 K(o=-4.9,f=-6.1!) USER MOD Set 1.2: A 108 ASN : amide:sc= -1.15 K(o=-4.9,f=-7.4!) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.121 K(o=-4,f=-9.4) USER MOD Set 2.2: A 62 ASN :FLIP amide:sc= -1.63 F(o=-6!,f=-4) USER MOD Set 2.3: A 74 MET CE :methyl -164:sc= -2.28! (180deg=-2.69!) USER MOD Set 3.1: A 64 ASN : amide:sc= -0.317 X(o=-2,f=-2.4) USER MOD Set 3.2: A 72 MET CE :methyl -147:sc= -1.7 (180deg=-3.87!) USER MOD Set 4.1: A 58 TYR OH : rot -71:sc= 0.416 USER MOD Set 4.2: A 60 THR OG1 : rot -15:sc= 0.384 USER MOD Single : A 9 GLN : amide:sc= -0.0411 K(o=-0.041,f=-1.3!) USER MOD Single : A 13 GLN : amide:sc= 1.11 K(o=1.1,f=-1.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -117:sc= -0.602 (180deg=-1.12) USER MOD Single : A 33 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -166:sc= -1.31 (180deg=-1.99) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.964 USER MOD Single : A 79 CYS SG : rot 51:sc= -1.06 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc=-0.00161 (180deg=-0.0655) USER MOD Single : A 85 TYR OH : rot -78:sc= 0.765 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 160:sc= 0.00144 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc=-0.00188 X(o=-0.0019,f=-0.3) USER MOD Single : A 105 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 106 GLN : amide:sc= 0.384 X(o=0.38,f=-0.06) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 79:sc= 0.0299 USER MOD Single : A 116 GLN : amide:sc= -0.115 K(o=-0.11,f=-3.5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.938 X(o=-0.94,f=-0.69) USER MOD Single : A 119 CYS SG : rot -97:sc= -1.47 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 124 CYS SG : rot 31:sc= 0.618 USER MOD Single : A 127 ASN : amide:sc= -5.81! C(o=-5.8!,f=-7.4!) USER MOD Single : A 129 THR OG1 : rot -1:sc= 0.577 USER MOD Single : A 135 HIS :FLIP no HE2:sc=-0.00117 F(o=-0.96,f=-0.0012) USER MOD Single : A 137 SER OG : rot 95:sc= 0.175 USER MOD Single : A 139 TYR OH : rot -27:sc= 0.635 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.393 22.664 4.988 1.00 0.00 N ATOM 67 CA GLU A 8 -2.490 21.507 5.869 1.00 0.00 C ATOM 68 C GLU A 8 -2.506 20.210 5.065 1.00 0.00 C ATOM 69 O GLU A 8 -1.698 19.312 5.302 1.00 0.00 O ATOM 70 CB GLU A 8 -3.750 21.599 6.733 1.00 0.00 C ATOM 71 CG GLU A 8 -4.110 23.020 7.133 1.00 0.00 C ATOM 72 CD GLU A 8 -4.951 23.076 8.394 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.182 22.896 8.293 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.377 23.300 9.480 1.00 0.00 O ATOM 0 HA GLU A 8 -1.613 21.502 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.587 21.160 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.607 21.002 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.196 23.593 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.653 23.497 6.317 1.00 0.00 H new ATOM 81 N GLN A 9 -3.431 20.121 4.115 1.00 0.00 N ATOM 82 CA GLN A 9 -3.553 18.934 3.277 1.00 0.00 C ATOM 83 C GLN A 9 -2.183 18.456 2.807 1.00 0.00 C ATOM 84 O GLN A 9 -1.720 17.385 3.198 1.00 0.00 O ATOM 85 CB GLN A 9 -4.446 19.226 2.070 1.00 0.00 C ATOM 86 CG GLN A 9 -5.920 18.956 2.325 1.00 0.00 C ATOM 87 CD GLN A 9 -6.815 19.547 1.253 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.443 20.506 0.576 1.00 0.00 O ATOM 89 NE2 GLN A 9 -8.004 18.977 1.094 1.00 0.00 N ATOM 0 H GLN A 9 -4.107 20.856 3.906 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.008 18.144 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.321 20.269 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.114 18.619 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.085 17.880 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.199 19.369 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.271 18.184 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.650 19.332 0.389 1.00 0.00 H new ATOM 98 N ALA A 10 -1.539 19.258 1.965 1.00 0.00 N ATOM 99 CA ALA A 10 -0.221 18.918 1.443 1.00 0.00 C ATOM 100 C ALA A 10 0.635 18.245 2.511 1.00 0.00 C ATOM 101 O ALA A 10 1.378 17.307 2.222 1.00 0.00 O ATOM 102 CB ALA A 10 0.475 20.164 0.914 1.00 0.00 C ATOM 0 H ALA A 10 -1.909 20.148 1.630 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.353 18.213 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.458 19.895 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.122 20.602 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.588 20.888 1.721 1.00 0.00 H new ATOM 108 N GLU A 11 0.527 18.731 3.743 1.00 0.00 N ATOM 109 CA GLU A 11 1.294 18.176 4.853 1.00 0.00 C ATOM 110 C GLU A 11 0.711 16.839 5.301 1.00 0.00 C ATOM 111 O GLU A 11 1.446 15.916 5.651 1.00 0.00 O ATOM 112 CB GLU A 11 1.314 19.156 6.028 1.00 0.00 C ATOM 113 CG GLU A 11 1.784 20.551 5.649 1.00 0.00 C ATOM 114 CD GLU A 11 2.041 21.428 6.859 1.00 0.00 C ATOM 115 OE1 GLU A 11 1.061 21.820 7.526 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.222 21.722 7.139 1.00 0.00 O ATOM 0 H GLU A 11 -0.083 19.507 3.998 1.00 0.00 H new ATOM 0 HA GLU A 11 2.315 18.011 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.312 19.222 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.965 18.762 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.698 20.475 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.034 21.024 5.015 1.00 0.00 H new ATOM 123 N ALA A 12 -0.614 16.743 5.288 1.00 0.00 N ATOM 124 CA ALA A 12 -1.296 15.520 5.692 1.00 0.00 C ATOM 125 C ALA A 12 -0.685 14.300 5.009 1.00 0.00 C ATOM 126 O ALA A 12 -0.353 13.313 5.664 1.00 0.00 O ATOM 127 CB ALA A 12 -2.781 15.614 5.377 1.00 0.00 C ATOM 0 H ALA A 12 -1.237 17.498 5.002 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.171 15.403 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.277 14.693 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.214 16.457 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.917 15.759 4.305 1.00 0.00 H new ATOM 133 N GLN A 13 -0.540 14.377 3.690 1.00 0.00 N ATOM 134 CA GLN A 13 0.030 13.278 2.919 1.00 0.00 C ATOM 135 C GLN A 13 1.491 13.052 3.292 1.00 0.00 C ATOM 136 O GLN A 13 1.860 11.985 3.784 1.00 0.00 O ATOM 137 CB GLN A 13 -0.089 13.562 1.421 1.00 0.00 C ATOM 138 CG GLN A 13 -1.503 13.901 0.976 1.00 0.00 C ATOM 139 CD GLN A 13 -1.536 14.666 -0.332 1.00 0.00 C ATOM 140 OE1 GLN A 13 -0.533 14.749 -1.042 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.692 15.231 -0.659 1.00 0.00 N ATOM 0 H GLN A 13 -0.809 15.188 3.133 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.530 12.373 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.572 14.389 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.259 12.691 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.076 12.980 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.992 14.492 1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.498 15.137 -0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.774 15.759 -1.528 1.00 0.00 H new ATOM 150 N LEU A 14 2.320 14.063 3.054 1.00 0.00 N ATOM 151 CA LEU A 14 3.743 13.975 3.364 1.00 0.00 C ATOM 152 C LEU A 14 3.966 13.278 4.702 1.00 0.00 C ATOM 153 O LEU A 14 4.578 12.212 4.764 1.00 0.00 O ATOM 154 CB LEU A 14 4.366 15.372 3.393 1.00 0.00 C ATOM 155 CG LEU A 14 5.800 15.457 3.917 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.739 14.652 3.033 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.253 16.907 3.999 1.00 0.00 C ATOM 0 H LEU A 14 2.031 14.953 2.647 1.00 0.00 H new ATOM 0 HA LEU A 14 4.224 13.386 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.345 15.778 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.737 16.016 4.008 1.00 0.00 H new ATOM 0 HG LEU A 14 5.826 15.033 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.755 14.724 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.426 13.608 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.710 15.046 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.276 16.948 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.212 17.358 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.597 17.456 4.675 1.00 0.00 H new ATOM 169 N ALA A 15 3.465 13.887 5.772 1.00 0.00 N ATOM 170 CA ALA A 15 3.606 13.323 7.108 1.00 0.00 C ATOM 171 C ALA A 15 3.542 11.800 7.071 1.00 0.00 C ATOM 172 O ALA A 15 4.423 11.120 7.595 1.00 0.00 O ATOM 173 CB ALA A 15 2.530 13.876 8.031 1.00 0.00 C ATOM 0 H ALA A 15 2.958 14.771 5.739 1.00 0.00 H new ATOM 0 HA ALA A 15 4.584 13.610 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.648 13.446 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.624 14.960 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.546 13.618 7.638 1.00 0.00 H new ATOM 179 N GLU A 16 2.492 11.272 6.449 1.00 0.00 N ATOM 180 CA GLU A 16 2.314 9.828 6.346 1.00 0.00 C ATOM 181 C GLU A 16 3.517 9.178 5.668 1.00 0.00 C ATOM 182 O GLU A 16 4.092 8.220 6.185 1.00 0.00 O ATOM 183 CB GLU A 16 1.038 9.504 5.565 1.00 0.00 C ATOM 184 CG GLU A 16 0.707 8.022 5.528 1.00 0.00 C ATOM 185 CD GLU A 16 0.428 7.451 6.905 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.671 7.705 7.441 1.00 0.00 O ATOM 187 OE2 GLU A 16 1.308 6.750 7.446 1.00 0.00 O ATOM 0 H GLU A 16 1.753 11.821 6.010 1.00 0.00 H new ATOM 0 HA GLU A 16 2.226 9.426 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.202 10.043 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.145 9.869 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.163 7.864 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.537 7.480 5.075 1.00 0.00 H new ATOM 194 N LEU A 17 3.891 9.706 4.507 1.00 0.00 N ATOM 195 CA LEU A 17 5.025 9.178 3.757 1.00 0.00 C ATOM 196 C LEU A 17 6.258 9.058 4.646 1.00 0.00 C ATOM 197 O LEU A 17 6.752 7.957 4.894 1.00 0.00 O ATOM 198 CB LEU A 17 5.332 10.078 2.559 1.00 0.00 C ATOM 199 CG LEU A 17 4.251 10.151 1.479 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.464 11.367 0.592 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.242 8.877 0.647 1.00 0.00 C ATOM 0 H LEU A 17 3.426 10.499 4.065 1.00 0.00 H new ATOM 0 HA LEU A 17 4.760 8.183 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.519 11.087 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.256 9.731 2.097 1.00 0.00 H new ATOM 0 HG LEU A 17 3.282 10.249 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.686 11.402 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.420 12.272 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.440 11.300 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.467 8.946 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.213 8.748 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.040 8.022 1.293 1.00 0.00 H new ATOM 213 N ASP A 18 6.748 10.195 5.126 1.00 0.00 N ATOM 214 CA ASP A 18 7.922 10.217 5.991 1.00 0.00 C ATOM 215 C ASP A 18 7.933 9.009 6.923 1.00 0.00 C ATOM 216 O ASP A 18 8.940 8.311 7.040 1.00 0.00 O ATOM 217 CB ASP A 18 7.954 11.509 6.810 1.00 0.00 C ATOM 218 CG ASP A 18 9.326 11.793 7.389 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.287 11.923 6.602 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.438 11.887 8.629 1.00 0.00 O ATOM 0 H ASP A 18 6.351 11.114 4.931 1.00 0.00 H new ATOM 0 HA ASP A 18 8.809 10.174 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.649 12.344 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.228 11.440 7.620 1.00 0.00 H new ATOM 225 N LEU A 19 6.807 8.770 7.586 1.00 0.00 N ATOM 226 CA LEU A 19 6.686 7.646 8.509 1.00 0.00 C ATOM 227 C LEU A 19 7.039 6.333 7.817 1.00 0.00 C ATOM 228 O LEU A 19 7.974 5.640 8.218 1.00 0.00 O ATOM 229 CB LEU A 19 5.266 7.574 9.072 1.00 0.00 C ATOM 230 CG LEU A 19 5.112 6.855 10.413 1.00 0.00 C ATOM 231 CD1 LEU A 19 3.842 7.306 11.118 1.00 0.00 C ATOM 232 CD2 LEU A 19 5.107 5.347 10.213 1.00 0.00 C ATOM 0 H LEU A 19 5.965 9.339 7.502 1.00 0.00 H new ATOM 0 HA LEU A 19 7.387 7.803 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.888 8.590 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.631 7.075 8.340 1.00 0.00 H new ATOM 0 HG LEU A 19 5.964 7.114 11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.749 6.784 12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.887 8.380 11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.978 7.078 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.997 4.852 11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.276 5.069 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.045 5.038 9.752 1.00 0.00 H new ATOM 244 N LEU A 20 6.286 5.999 6.776 1.00 0.00 N ATOM 245 CA LEU A 20 6.520 4.769 6.026 1.00 0.00 C ATOM 246 C LEU A 20 8.011 4.547 5.797 1.00 0.00 C ATOM 247 O LEU A 20 8.590 3.584 6.299 1.00 0.00 O ATOM 248 CB LEU A 20 5.788 4.820 4.684 1.00 0.00 C ATOM 249 CG LEU A 20 4.260 4.798 4.751 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.662 5.398 3.488 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.756 3.378 4.960 1.00 0.00 C ATOM 0 H LEU A 20 5.508 6.562 6.431 1.00 0.00 H new ATOM 0 HA LEU A 20 6.133 3.935 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.096 5.725 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.117 3.974 4.081 1.00 0.00 H new ATOM 0 HG LEU A 20 3.944 5.403 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.574 5.374 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.996 6.430 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.986 4.821 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.667 3.381 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.083 2.750 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.157 2.983 5.894 1.00 0.00 H new ATOM 263 N ALA A 21 8.628 5.445 5.036 1.00 0.00 N ATOM 264 CA ALA A 21 10.053 5.349 4.743 1.00 0.00 C ATOM 265 C ALA A 21 10.819 4.774 5.930 1.00 0.00 C ATOM 266 O ALA A 21 11.718 3.950 5.759 1.00 0.00 O ATOM 267 CB ALA A 21 10.607 6.715 4.367 1.00 0.00 C ATOM 0 H ALA A 21 8.163 6.247 4.611 1.00 0.00 H new ATOM 0 HA ALA A 21 10.181 4.672 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.672 6.629 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.087 7.088 3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.460 7.408 5.195 1.00 0.00 H new ATOM 273 N SER A 22 10.458 5.213 7.131 1.00 0.00 N ATOM 274 CA SER A 22 11.115 4.744 8.346 1.00 0.00 C ATOM 275 C SER A 22 10.684 3.320 8.682 1.00 0.00 C ATOM 276 O SER A 22 11.509 2.475 9.025 1.00 0.00 O ATOM 277 CB SER A 22 10.794 5.676 9.516 1.00 0.00 C ATOM 278 OG SER A 22 11.598 6.842 9.475 1.00 0.00 O ATOM 0 H SER A 22 9.714 5.893 7.289 1.00 0.00 H new ATOM 0 HA SER A 22 12.191 4.747 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.741 5.955 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.956 5.152 10.458 1.00 0.00 H new ATOM 0 HG SER A 22 11.372 7.422 10.232 1.00 0.00 H new ATOM 284 N MET A 23 9.384 3.062 8.579 1.00 0.00 N ATOM 285 CA MET A 23 8.842 1.740 8.871 1.00 0.00 C ATOM 286 C MET A 23 9.447 0.689 7.947 1.00 0.00 C ATOM 287 O MET A 23 9.738 -0.431 8.370 1.00 0.00 O ATOM 288 CB MET A 23 7.319 1.747 8.727 1.00 0.00 C ATOM 289 CG MET A 23 6.608 2.517 9.828 1.00 0.00 C ATOM 290 SD MET A 23 6.227 1.490 11.260 1.00 0.00 S ATOM 291 CE MET A 23 5.000 0.384 10.567 1.00 0.00 C ATOM 0 H MET A 23 8.687 3.751 8.296 1.00 0.00 H new ATOM 0 HA MET A 23 9.101 1.487 9.899 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.055 2.181 7.763 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.958 0.719 8.723 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.232 3.354 10.142 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.684 2.939 9.432 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.049 0.528 11.080 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.875 0.598 9.506 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.328 -0.648 10.693 1.00 0.00 H new ATOM 301 N PHE A 24 9.635 1.055 6.683 1.00 0.00 N ATOM 302 CA PHE A 24 10.205 0.142 5.699 1.00 0.00 C ATOM 303 C PHE A 24 11.615 0.575 5.309 1.00 0.00 C ATOM 304 O PHE A 24 11.832 1.223 4.285 1.00 0.00 O ATOM 305 CB PHE A 24 9.316 0.080 4.455 1.00 0.00 C ATOM 306 CG PHE A 24 7.894 -0.304 4.753 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.965 0.656 5.118 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.488 -1.626 4.667 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.657 0.304 5.393 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.181 -1.984 4.940 1.00 0.00 C ATOM 311 CZ PHE A 24 5.264 -1.017 5.303 1.00 0.00 C ATOM 0 H PHE A 24 9.401 1.978 6.316 1.00 0.00 H new ATOM 0 HA PHE A 24 10.259 -0.850 6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.326 1.052 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.738 -0.638 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.266 1.691 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.201 -2.386 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.942 1.062 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.877 -3.018 4.870 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.242 -1.293 5.516 1.00 0.00 H new ATOM 357 N ASN A 28 14.230 -2.988 -0.563 1.00 0.00 N ATOM 358 CA ASN A 28 13.199 -3.719 -1.291 1.00 0.00 C ATOM 359 C ASN A 28 11.834 -3.531 -0.636 1.00 0.00 C ATOM 360 O ASN A 28 10.819 -3.403 -1.321 1.00 0.00 O ATOM 361 CB ASN A 28 13.547 -5.208 -1.352 1.00 0.00 C ATOM 362 CG ASN A 28 12.725 -5.952 -2.387 1.00 0.00 C ATOM 363 OD1 ASN A 28 11.501 -6.032 -2.283 1.00 0.00 O ATOM 364 ND2 ASN A 28 13.397 -6.500 -3.393 1.00 0.00 N ATOM 0 HA ASN A 28 13.154 -3.321 -2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.606 -5.322 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.385 -5.657 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.898 -7.013 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.412 -6.408 -3.438 1.00 0.00 H new ATOM 371 N GLU A 29 11.818 -3.517 0.693 1.00 0.00 N ATOM 372 CA GLU A 29 10.577 -3.344 1.440 1.00 0.00 C ATOM 373 C GLU A 29 9.666 -2.330 0.755 1.00 0.00 C ATOM 374 O GLU A 29 8.474 -2.575 0.567 1.00 0.00 O ATOM 375 CB GLU A 29 10.875 -2.894 2.871 1.00 0.00 C ATOM 376 CG GLU A 29 11.504 -3.977 3.731 1.00 0.00 C ATOM 377 CD GLU A 29 11.610 -3.575 5.190 1.00 0.00 C ATOM 378 OE1 GLU A 29 10.593 -3.121 5.755 1.00 0.00 O ATOM 379 OE2 GLU A 29 12.710 -3.714 5.766 1.00 0.00 O ATOM 0 H GLU A 29 12.649 -3.623 1.274 1.00 0.00 H new ATOM 0 HA GLU A 29 10.064 -4.305 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.542 -2.033 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.948 -2.563 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.912 -4.889 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.498 -4.208 3.348 1.00 0.00 H new ATOM 386 N LEU A 30 10.236 -1.188 0.383 1.00 0.00 N ATOM 387 CA LEU A 30 9.476 -0.135 -0.281 1.00 0.00 C ATOM 388 C LEU A 30 10.315 0.544 -1.359 1.00 0.00 C ATOM 389 O LEU A 30 11.441 0.973 -1.104 1.00 0.00 O ATOM 390 CB LEU A 30 9.003 0.901 0.741 1.00 0.00 C ATOM 391 CG LEU A 30 8.680 2.290 0.189 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.594 2.956 1.019 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.933 3.154 0.153 1.00 0.00 C ATOM 0 H LEU A 30 11.221 -0.968 0.530 1.00 0.00 H new ATOM 0 HA LEU A 30 8.607 -0.591 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.113 0.513 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.773 1.006 1.505 1.00 0.00 H new ATOM 0 HG LEU A 30 8.311 2.178 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.378 3.943 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.691 2.347 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.934 3.056 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.685 4.139 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.332 3.258 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.681 2.684 -0.486 1.00 0.00 H new ATOM 405 N ILE A 31 9.758 0.641 -2.561 1.00 0.00 N ATOM 406 CA ILE A 31 10.454 1.271 -3.676 1.00 0.00 C ATOM 407 C ILE A 31 9.620 2.396 -4.279 1.00 0.00 C ATOM 408 O ILE A 31 8.514 2.170 -4.770 1.00 0.00 O ATOM 409 CB ILE A 31 10.790 0.250 -4.779 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.697 -0.852 -4.225 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.453 0.944 -5.960 1.00 0.00 C ATOM 412 CD1 ILE A 31 10.937 -2.025 -3.647 1.00 0.00 C ATOM 0 H ILE A 31 8.827 0.292 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 31 11.381 1.682 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 31 9.863 -0.207 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.350 -1.209 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.339 -0.429 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.684 0.209 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.777 1.696 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.374 1.425 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.642 -2.767 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.305 -1.681 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.315 -2.473 -4.422 1.00 0.00 H new ATOM 424 N VAL A 32 10.159 3.611 -4.240 1.00 0.00 N ATOM 425 CA VAL A 32 9.466 4.773 -4.784 1.00 0.00 C ATOM 426 C VAL A 32 9.926 5.069 -6.207 1.00 0.00 C ATOM 427 O VAL A 32 11.028 5.571 -6.422 1.00 0.00 O ATOM 428 CB VAL A 32 9.694 6.022 -3.912 1.00 0.00 C ATOM 429 CG1 VAL A 32 9.225 7.273 -4.639 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.983 5.874 -2.575 1.00 0.00 C ATOM 0 H VAL A 32 11.073 3.816 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 32 8.403 4.534 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 32 10.762 6.121 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.394 8.145 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.783 7.384 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.162 7.187 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.154 6.765 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.913 5.750 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.371 5.001 -2.051 1.00 0.00 H new ATOM 440 N ASN A 33 9.072 4.755 -7.177 1.00 0.00 N ATOM 441 CA ASN A 33 9.391 4.988 -8.581 1.00 0.00 C ATOM 442 C ASN A 33 9.319 6.475 -8.916 1.00 0.00 C ATOM 443 O ASN A 33 10.228 7.027 -9.535 1.00 0.00 O ATOM 444 CB ASN A 33 8.432 4.204 -9.479 1.00 0.00 C ATOM 445 CG ASN A 33 8.697 2.711 -9.443 1.00 0.00 C ATOM 446 OD1 ASN A 33 9.548 2.202 -10.172 1.00 0.00 O ATOM 447 ND2 ASN A 33 7.965 2.002 -8.591 1.00 0.00 N ATOM 0 H ASN A 33 8.155 4.339 -7.016 1.00 0.00 H new ATOM 0 HA ASN A 33 10.410 4.643 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.406 4.396 -9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.524 4.562 -10.504 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.097 0.993 -8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.271 2.467 -8.006 1.00 0.00 H new ATOM 454 N ASP A 34 8.232 7.116 -8.501 1.00 0.00 N ATOM 455 CA ASP A 34 8.041 8.540 -8.755 1.00 0.00 C ATOM 456 C ASP A 34 8.732 9.380 -7.686 1.00 0.00 C ATOM 457 O ASP A 34 8.127 9.731 -6.673 1.00 0.00 O ATOM 458 CB ASP A 34 6.550 8.876 -8.801 1.00 0.00 C ATOM 459 CG ASP A 34 6.262 10.124 -9.612 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.926 11.154 -9.372 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.374 10.070 -10.487 1.00 0.00 O ATOM 0 H ASP A 34 7.470 6.673 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 34 8.488 8.775 -9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.004 8.035 -9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.180 9.013 -7.785 1.00 0.00 H new ATOM 466 N GLN A 35 10.001 9.698 -7.918 1.00 0.00 N ATOM 467 CA GLN A 35 10.774 10.495 -6.974 1.00 0.00 C ATOM 468 C GLN A 35 10.393 11.969 -7.065 1.00 0.00 C ATOM 469 O GLN A 35 10.262 12.652 -6.049 1.00 0.00 O ATOM 470 CB GLN A 35 12.272 10.326 -7.237 1.00 0.00 C ATOM 471 CG GLN A 35 12.823 8.987 -6.776 1.00 0.00 C ATOM 472 CD GLN A 35 13.037 8.928 -5.276 1.00 0.00 C ATOM 473 OE1 GLN A 35 12.918 9.937 -4.581 1.00 0.00 O ATOM 474 NE2 GLN A 35 13.356 7.743 -4.769 1.00 0.00 N ATOM 0 H GLN A 35 10.516 9.416 -8.752 1.00 0.00 H new ATOM 0 HA GLN A 35 10.547 10.141 -5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.460 10.439 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.814 11.126 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.136 8.194 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.769 8.794 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.444 6.933 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.513 7.643 -3.766 1.00 0.00 H new ATOM 483 N LEU A 36 10.217 12.454 -8.290 1.00 0.00 N ATOM 484 CA LEU A 36 9.850 13.848 -8.515 1.00 0.00 C ATOM 485 C LEU A 36 8.613 14.223 -7.706 1.00 0.00 C ATOM 486 O LEU A 36 8.627 15.190 -6.944 1.00 0.00 O ATOM 487 CB LEU A 36 9.595 14.095 -10.003 1.00 0.00 C ATOM 488 CG LEU A 36 9.851 15.518 -10.500 1.00 0.00 C ATOM 489 CD1 LEU A 36 8.922 16.501 -9.805 1.00 0.00 C ATOM 490 CD2 LEU A 36 11.305 15.907 -10.279 1.00 0.00 C ATOM 0 H LEU A 36 10.322 11.903 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 36 10.680 14.474 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.222 13.413 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.559 13.836 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 36 9.646 15.551 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.119 17.509 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.886 16.234 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.094 16.466 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.469 16.923 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.537 15.857 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.952 15.220 -10.824 1.00 0.00 H new ATOM 502 N ALA A 37 7.545 13.451 -7.875 1.00 0.00 N ATOM 503 CA ALA A 37 6.301 13.699 -7.158 1.00 0.00 C ATOM 504 C ALA A 37 6.570 14.066 -5.702 1.00 0.00 C ATOM 505 O ALA A 37 6.236 15.164 -5.256 1.00 0.00 O ATOM 506 CB ALA A 37 5.393 12.481 -7.238 1.00 0.00 C ATOM 0 H ALA A 37 7.517 12.648 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 37 5.800 14.543 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.468 12.681 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.165 12.265 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.895 11.623 -6.792 1.00 0.00 H new ATOM 512 N VAL A 38 7.175 13.140 -4.966 1.00 0.00 N ATOM 513 CA VAL A 38 7.490 13.366 -3.560 1.00 0.00 C ATOM 514 C VAL A 38 8.200 14.700 -3.364 1.00 0.00 C ATOM 515 O VAL A 38 7.740 15.555 -2.607 1.00 0.00 O ATOM 516 CB VAL A 38 8.374 12.238 -2.994 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.717 12.509 -1.538 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.681 10.892 -3.146 1.00 0.00 C ATOM 0 H VAL A 38 7.457 12.226 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 38 6.542 13.379 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 38 9.304 12.208 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.342 11.702 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.256 13.453 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.799 12.566 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.319 10.106 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.735 10.906 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.491 10.697 -4.202 1.00 0.00 H new ATOM 528 N ALA A 39 9.324 14.873 -4.051 1.00 0.00 N ATOM 529 CA ALA A 39 10.097 16.105 -3.954 1.00 0.00 C ATOM 530 C ALA A 39 9.210 17.328 -4.160 1.00 0.00 C ATOM 531 O ALA A 39 9.355 18.334 -3.467 1.00 0.00 O ATOM 532 CB ALA A 39 11.231 16.097 -4.969 1.00 0.00 C ATOM 0 H ALA A 39 9.720 14.175 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 39 10.521 16.161 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.800 17.023 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.887 15.249 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.819 16.014 -5.975 1.00 0.00 H new ATOM 538 N GLU A 40 8.291 17.233 -5.116 1.00 0.00 N ATOM 539 CA GLU A 40 7.381 18.333 -5.412 1.00 0.00 C ATOM 540 C GLU A 40 6.503 18.653 -4.206 1.00 0.00 C ATOM 541 O GLU A 40 6.271 19.819 -3.885 1.00 0.00 O ATOM 542 CB GLU A 40 6.504 17.988 -6.618 1.00 0.00 C ATOM 543 CG GLU A 40 7.108 18.403 -7.948 1.00 0.00 C ATOM 544 CD GLU A 40 6.969 19.889 -8.214 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.840 20.659 -7.759 1.00 0.00 O ATOM 546 OE2 GLU A 40 5.987 20.283 -8.879 1.00 0.00 O ATOM 0 H GLU A 40 8.157 16.406 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 40 7.980 19.213 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.324 16.913 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.534 18.472 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.164 18.132 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.625 17.847 -8.751 1.00 0.00 H new ATOM 553 N LEU A 41 6.018 17.610 -3.541 1.00 0.00 N ATOM 554 CA LEU A 41 5.165 17.779 -2.370 1.00 0.00 C ATOM 555 C LEU A 41 5.838 18.669 -1.330 1.00 0.00 C ATOM 556 O LEU A 41 5.251 19.642 -0.857 1.00 0.00 O ATOM 557 CB LEU A 41 4.835 16.417 -1.755 1.00 0.00 C ATOM 558 CG LEU A 41 3.554 16.350 -0.923 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.329 16.464 -1.817 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.509 15.060 -0.116 1.00 0.00 C ATOM 0 H LEU A 41 6.201 16.639 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 41 4.241 18.261 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.761 15.686 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.671 16.113 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 41 3.551 17.190 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.427 16.414 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.355 17.415 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.326 15.645 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.590 15.029 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.536 14.206 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.368 15.020 0.554 1.00 0.00 H new ATOM 572 N LYS A 42 7.074 18.331 -0.980 1.00 0.00 N ATOM 573 CA LYS A 42 7.830 19.101 0.001 1.00 0.00 C ATOM 574 C LYS A 42 7.939 20.562 -0.421 1.00 0.00 C ATOM 575 O LYS A 42 7.633 21.467 0.355 1.00 0.00 O ATOM 576 CB LYS A 42 9.227 18.504 0.181 1.00 0.00 C ATOM 577 CG LYS A 42 9.242 17.223 0.998 1.00 0.00 C ATOM 578 CD LYS A 42 9.063 15.998 0.117 1.00 0.00 C ATOM 579 CE LYS A 42 9.766 14.783 0.702 1.00 0.00 C ATOM 580 NZ LYS A 42 11.184 14.694 0.257 1.00 0.00 N ATOM 0 H LYS A 42 7.574 17.528 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 42 7.297 19.055 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.656 18.304 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.868 19.241 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.184 17.147 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.447 17.256 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.001 15.784 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.457 16.204 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.729 14.832 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.235 13.879 0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.628 13.853 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.219 14.622 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.698 15.545 0.562 1.00 0.00 H new ATOM 594 N ASP A 43 8.377 20.785 -1.656 1.00 0.00 N ATOM 595 CA ASP A 43 8.524 22.136 -2.182 1.00 0.00 C ATOM 596 C ASP A 43 7.199 22.890 -2.124 1.00 0.00 C ATOM 597 O ASP A 43 7.157 24.063 -1.752 1.00 0.00 O ATOM 598 CB ASP A 43 9.037 22.092 -3.623 1.00 0.00 C ATOM 599 CG ASP A 43 9.770 23.360 -4.015 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.411 23.971 -3.135 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.702 23.742 -5.203 1.00 0.00 O ATOM 0 H ASP A 43 8.636 20.047 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 43 9.249 22.664 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.704 21.238 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.197 21.937 -4.300 1.00 0.00 H new ATOM 606 N CYS A 44 6.121 22.209 -2.495 1.00 0.00 N ATOM 607 CA CYS A 44 4.794 22.815 -2.486 1.00 0.00 C ATOM 608 C CYS A 44 4.492 23.445 -1.131 1.00 0.00 C ATOM 609 O CYS A 44 4.190 24.636 -1.042 1.00 0.00 O ATOM 610 CB CYS A 44 3.731 21.769 -2.824 1.00 0.00 C ATOM 611 SG CYS A 44 2.047 22.258 -2.382 1.00 0.00 S ATOM 0 H CYS A 44 6.139 21.238 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 44 4.775 23.600 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.769 21.561 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.975 20.839 -2.310 1.00 0.00 H new ATOM 0 HG CYS A 44 1.220 21.310 -2.709 1.00 0.00 H new ATOM 617 N ILE A 45 4.576 22.639 -0.078 1.00 0.00 N ATOM 618 CA ILE A 45 4.311 23.118 1.273 1.00 0.00 C ATOM 619 C ILE A 45 5.108 24.383 1.574 1.00 0.00 C ATOM 620 O ILE A 45 4.538 25.428 1.887 1.00 0.00 O ATOM 621 CB ILE A 45 4.652 22.048 2.327 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.727 20.839 2.174 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.544 22.631 3.728 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.357 19.536 2.616 1.00 0.00 C ATOM 0 H ILE A 45 4.825 21.652 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 45 3.245 23.341 1.325 1.00 0.00 H new ATOM 0 HB ILE A 45 5.679 21.719 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.820 21.010 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.426 20.752 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.788 21.863 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.240 23.464 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.527 22.985 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.644 18.723 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.248 19.342 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.633 19.604 3.668 1.00 0.00 H new ATOM 636 N GLU A 46 6.430 24.281 1.474 1.00 0.00 N ATOM 637 CA GLU A 46 7.305 25.418 1.735 1.00 0.00 C ATOM 638 C GLU A 46 6.896 26.623 0.893 1.00 0.00 C ATOM 639 O GLU A 46 6.925 27.761 1.361 1.00 0.00 O ATOM 640 CB GLU A 46 8.760 25.047 1.442 1.00 0.00 C ATOM 641 CG GLU A 46 9.352 24.070 2.444 1.00 0.00 C ATOM 642 CD GLU A 46 9.968 24.764 3.643 1.00 0.00 C ATOM 643 OE1 GLU A 46 10.542 25.859 3.464 1.00 0.00 O ATOM 644 OE2 GLU A 46 9.877 24.214 4.760 1.00 0.00 O ATOM 0 H GLU A 46 6.918 23.424 1.214 1.00 0.00 H new ATOM 0 HA GLU A 46 7.210 25.683 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.822 24.613 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.363 25.955 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.573 23.388 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.112 23.464 1.950 1.00 0.00 H new ATOM 783 N SER A 55 2.428 15.501 -10.852 1.00 0.00 N ATOM 784 CA SER A 55 2.511 14.047 -10.923 1.00 0.00 C ATOM 785 C SER A 55 2.066 13.413 -9.609 1.00 0.00 C ATOM 786 O SER A 55 2.310 13.954 -8.531 1.00 0.00 O ATOM 787 CB SER A 55 3.940 13.612 -11.255 1.00 0.00 C ATOM 788 OG SER A 55 4.274 13.935 -12.594 1.00 0.00 O ATOM 0 HA SER A 55 1.843 13.708 -11.714 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.639 14.099 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.041 12.538 -11.101 1.00 0.00 H new ATOM 0 HG SER A 55 5.192 13.648 -12.780 1.00 0.00 H new ATOM 794 N LYS A 56 1.412 12.260 -9.707 1.00 0.00 N ATOM 795 CA LYS A 56 0.933 11.549 -8.528 1.00 0.00 C ATOM 796 C LYS A 56 2.065 10.769 -7.866 1.00 0.00 C ATOM 797 O LYS A 56 2.953 10.250 -8.542 1.00 0.00 O ATOM 798 CB LYS A 56 -0.202 10.596 -8.908 1.00 0.00 C ATOM 799 CG LYS A 56 -1.567 11.261 -8.950 1.00 0.00 C ATOM 800 CD LYS A 56 -2.540 10.484 -9.820 1.00 0.00 C ATOM 801 CE LYS A 56 -3.978 10.908 -9.563 1.00 0.00 C ATOM 802 NZ LYS A 56 -4.833 10.729 -10.770 1.00 0.00 N ATOM 0 H LYS A 56 1.202 11.798 -10.592 1.00 0.00 H new ATOM 0 HA LYS A 56 0.558 12.286 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.011 10.162 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.230 9.774 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.965 11.340 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.466 12.276 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.296 10.641 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.433 9.417 -9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.387 10.324 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.999 11.953 -9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.805 11.029 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.458 11.306 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.834 9.727 -11.049 1.00 0.00 H new ATOM 816 N VAL A 57 2.026 10.690 -6.539 1.00 0.00 N ATOM 817 CA VAL A 57 3.047 9.972 -5.786 1.00 0.00 C ATOM 818 C VAL A 57 2.880 8.464 -5.934 1.00 0.00 C ATOM 819 O VAL A 57 2.069 7.848 -5.242 1.00 0.00 O ATOM 820 CB VAL A 57 3.003 10.338 -4.291 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.035 9.536 -3.513 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.223 11.832 -4.102 1.00 0.00 C ATOM 0 H VAL A 57 1.298 11.114 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 57 4.012 10.270 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 57 2.016 10.087 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.988 9.809 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.826 8.472 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.031 9.752 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.189 12.073 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.196 12.110 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.442 12.384 -4.625 1.00 0.00 H new ATOM 832 N TYR A 58 3.652 7.875 -6.840 1.00 0.00 N ATOM 833 CA TYR A 58 3.588 6.438 -7.080 1.00 0.00 C ATOM 834 C TYR A 58 4.734 5.717 -6.377 1.00 0.00 C ATOM 835 O TYR A 58 5.906 6.022 -6.601 1.00 0.00 O ATOM 836 CB TYR A 58 3.633 6.148 -8.581 1.00 0.00 C ATOM 837 CG TYR A 58 3.911 4.699 -8.911 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.042 3.695 -8.503 1.00 0.00 C ATOM 839 CD2 TYR A 58 5.042 4.334 -9.631 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.292 2.369 -8.800 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.299 3.011 -9.934 1.00 0.00 C ATOM 842 CZ TYR A 58 4.422 2.033 -9.517 1.00 0.00 C ATOM 843 OH TYR A 58 4.674 0.713 -9.817 1.00 0.00 O ATOM 0 H TYR A 58 4.329 8.370 -7.420 1.00 0.00 H new ATOM 0 HA TYR A 58 2.646 6.069 -6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.681 6.437 -9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.402 6.770 -9.040 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.155 3.955 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.732 5.098 -9.959 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.607 1.600 -8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.183 2.744 -10.495 1.00 0.00 H new ATOM 0 HH TYR A 58 4.934 0.236 -9.001 1.00 0.00 H new ATOM 853 N PHE A 59 4.387 4.757 -5.526 1.00 0.00 N ATOM 854 CA PHE A 59 5.385 3.991 -4.789 1.00 0.00 C ATOM 855 C PHE A 59 4.878 2.583 -4.490 1.00 0.00 C ATOM 856 O PHE A 59 3.790 2.405 -3.940 1.00 0.00 O ATOM 857 CB PHE A 59 5.744 4.704 -3.484 1.00 0.00 C ATOM 858 CG PHE A 59 4.586 4.840 -2.537 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.597 5.784 -2.762 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.487 4.024 -1.421 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.531 5.912 -1.892 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.423 4.147 -0.548 1.00 0.00 C ATOM 863 CZ PHE A 59 2.443 5.091 -0.784 1.00 0.00 C ATOM 0 H PHE A 59 3.422 4.491 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 59 6.278 3.912 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.546 4.156 -2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.132 5.696 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.660 6.427 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.250 3.284 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.767 6.653 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.358 3.505 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.610 5.187 -0.104 1.00 0.00 H new ATOM 873 N THR A 60 5.674 1.583 -4.856 1.00 0.00 N ATOM 874 CA THR A 60 5.307 0.191 -4.629 1.00 0.00 C ATOM 875 C THR A 60 5.891 -0.325 -3.319 1.00 0.00 C ATOM 876 O THR A 60 6.986 0.071 -2.919 1.00 0.00 O ATOM 877 CB THR A 60 5.786 -0.711 -5.783 1.00 0.00 C ATOM 878 OG1 THR A 60 5.334 -0.185 -7.036 1.00 0.00 O ATOM 879 CG2 THR A 60 5.271 -2.132 -5.607 1.00 0.00 C ATOM 0 H THR A 60 6.578 1.712 -5.311 1.00 0.00 H new ATOM 0 HA THR A 60 4.219 0.155 -4.577 1.00 0.00 H new ATOM 0 HB THR A 60 6.876 -0.732 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.636 0.484 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.621 -2.751 -6.433 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.641 -2.539 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.181 -2.125 -5.596 1.00 0.00 H new ATOM 887 N ILE A 61 5.155 -1.211 -2.657 1.00 0.00 N ATOM 888 CA ILE A 61 5.602 -1.782 -1.393 1.00 0.00 C ATOM 889 C ILE A 61 5.675 -3.303 -1.473 1.00 0.00 C ATOM 890 O ILE A 61 4.694 -3.965 -1.806 1.00 0.00 O ATOM 891 CB ILE A 61 4.668 -1.385 -0.234 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.767 0.118 0.037 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.010 -2.179 1.018 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.723 0.627 1.006 1.00 0.00 C ATOM 0 H ILE A 61 4.247 -1.549 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 61 6.597 -1.382 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 61 3.641 -1.617 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.758 0.343 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.669 0.656 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.341 -1.887 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.893 -3.244 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.041 -1.976 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.853 1.699 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.728 0.433 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.834 0.116 1.962 1.00 0.00 H new ATOM 906 N ASN A 62 6.846 -3.850 -1.163 1.00 0.00 N ATOM 907 CA ASN A 62 7.048 -5.294 -1.198 1.00 0.00 C ATOM 908 C ASN A 62 6.893 -5.900 0.193 1.00 0.00 C ATOM 909 O ASN A 62 7.580 -5.503 1.134 1.00 0.00 O ATOM 910 CB ASN A 62 8.434 -5.623 -1.757 1.00 0.00 C ATOM 911 CG ASN A 62 8.555 -5.297 -3.234 1.00 0.00 C ATOM 912 OD1 ASN A 62 9.452 -4.376 -3.565 1.00 0.00 O flip ATOM 913 ND2 ASN A 62 7.849 -5.867 -4.066 1.00 0.00 N flip ATOM 0 H ASN A 62 7.669 -3.315 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 62 6.288 -5.725 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.188 -5.065 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.643 -6.682 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.172 -6.569 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.941 -5.637 -5.056 1.00 0.00 H new ATOM 920 N MET A 63 5.985 -6.862 0.315 1.00 0.00 N ATOM 921 CA MET A 63 5.740 -7.524 1.592 1.00 0.00 C ATOM 922 C MET A 63 5.770 -9.041 1.433 1.00 0.00 C ATOM 923 O MET A 63 4.938 -9.617 0.734 1.00 0.00 O ATOM 924 CB MET A 63 4.391 -7.087 2.167 1.00 0.00 C ATOM 925 CG MET A 63 4.263 -5.582 2.339 1.00 0.00 C ATOM 926 SD MET A 63 3.026 -5.127 3.570 1.00 0.00 S ATOM 927 CE MET A 63 1.622 -6.087 3.010 1.00 0.00 C ATOM 0 H MET A 63 5.407 -7.201 -0.454 1.00 0.00 H new ATOM 0 HA MET A 63 6.533 -7.233 2.281 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.595 -7.439 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.244 -7.569 3.134 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.229 -5.170 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.000 -5.132 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.718 -5.733 3.506 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.512 -5.975 1.931 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.780 -7.138 3.251 1.00 0.00 H new ATOM 937 N ASN A 64 6.736 -9.680 2.085 1.00 0.00 N ATOM 938 CA ASN A 64 6.875 -11.130 2.015 1.00 0.00 C ATOM 939 C ASN A 64 5.957 -11.814 3.023 1.00 0.00 C ATOM 940 O ASN A 64 5.882 -11.412 4.184 1.00 0.00 O ATOM 941 CB ASN A 64 8.327 -11.537 2.273 1.00 0.00 C ATOM 942 CG ASN A 64 8.963 -10.732 3.389 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.568 -9.687 3.149 1.00 0.00 O ATOM 944 ND2 ASN A 64 8.830 -11.217 4.618 1.00 0.00 N ATOM 0 H ASN A 64 7.434 -9.217 2.667 1.00 0.00 H new ATOM 0 HA ASN A 64 6.587 -11.449 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.365 -12.597 2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.906 -11.406 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.238 -10.719 5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.320 -12.087 4.770 1.00 0.00 H new ATOM 951 N LEU A 65 5.259 -12.851 2.571 1.00 0.00 N ATOM 952 CA LEU A 65 4.346 -13.593 3.433 1.00 0.00 C ATOM 953 C LEU A 65 4.365 -15.080 3.096 1.00 0.00 C ATOM 954 O LEU A 65 4.645 -15.466 1.961 1.00 0.00 O ATOM 955 CB LEU A 65 2.924 -13.045 3.294 1.00 0.00 C ATOM 956 CG LEU A 65 2.804 -11.535 3.088 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.556 -11.204 2.283 1.00 0.00 C ATOM 958 CD2 LEU A 65 2.783 -10.814 4.427 1.00 0.00 C ATOM 0 H LEU A 65 5.308 -13.197 1.613 1.00 0.00 H new ATOM 0 HA LEU A 65 4.678 -13.469 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.444 -13.546 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.363 -13.315 4.189 1.00 0.00 H new ATOM 0 HG LEU A 65 3.675 -11.194 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.487 -10.125 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.612 -11.690 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.674 -11.559 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.697 -9.740 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.931 -11.160 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.705 -11.025 4.968 1.00 0.00 H new ATOM 970 N ASP A 66 4.065 -15.910 4.088 1.00 0.00 N ATOM 971 CA ASP A 66 4.044 -17.356 3.896 1.00 0.00 C ATOM 972 C ASP A 66 2.794 -17.785 3.135 1.00 0.00 C ATOM 973 O ASP A 66 1.839 -18.291 3.725 1.00 0.00 O ATOM 974 CB ASP A 66 4.106 -18.072 5.246 1.00 0.00 C ATOM 975 CG ASP A 66 2.919 -17.744 6.131 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.698 -16.546 6.406 1.00 0.00 O ATOM 977 OD2 ASP A 66 2.212 -18.684 6.546 1.00 0.00 O ATOM 0 H ASP A 66 3.833 -15.607 5.034 1.00 0.00 H new ATOM 0 HA ASP A 66 4.918 -17.632 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.146 -19.149 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.026 -17.794 5.760 1.00 0.00 H new ATOM 982 N VAL A 67 2.807 -17.580 1.822 1.00 0.00 N ATOM 983 CA VAL A 67 1.674 -17.946 0.980 1.00 0.00 C ATOM 984 C VAL A 67 1.247 -19.387 1.230 1.00 0.00 C ATOM 985 O VAL A 67 0.198 -19.641 1.821 1.00 0.00 O ATOM 986 CB VAL A 67 2.006 -17.771 -0.514 1.00 0.00 C ATOM 987 CG1 VAL A 67 3.460 -18.131 -0.784 1.00 0.00 C ATOM 988 CG2 VAL A 67 1.072 -18.615 -1.369 1.00 0.00 C ATOM 0 H VAL A 67 3.589 -17.162 1.318 1.00 0.00 H new ATOM 0 HA VAL A 67 0.854 -17.277 1.243 1.00 0.00 H new ATOM 0 HB VAL A 67 1.860 -16.724 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.676 -18.001 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.110 -17.481 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.636 -19.169 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.320 -18.480 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.184 -19.666 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.041 -18.305 -1.197 1.00 0.00 H new ATOM 998 N SER A 68 2.068 -20.329 0.775 1.00 0.00 N ATOM 999 CA SER A 68 1.773 -21.747 0.946 1.00 0.00 C ATOM 1000 C SER A 68 2.939 -22.606 0.466 1.00 0.00 C ATOM 1001 O SER A 68 3.961 -22.088 0.014 1.00 0.00 O ATOM 1002 CB SER A 68 0.501 -22.121 0.183 1.00 0.00 C ATOM 1003 OG SER A 68 -0.031 -23.349 0.650 1.00 0.00 O ATOM 0 H SER A 68 2.942 -20.136 0.286 1.00 0.00 H new ATOM 0 HA SER A 68 1.619 -21.935 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.242 -21.332 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.721 -22.198 -0.882 1.00 0.00 H new ATOM 0 HG SER A 68 -0.844 -23.565 0.148 1.00 0.00 H new ATOM 1009 N ASP A 69 2.778 -23.921 0.567 1.00 0.00 N ATOM 1010 CA ASP A 69 3.816 -24.853 0.143 1.00 0.00 C ATOM 1011 C ASP A 69 5.127 -24.576 0.873 1.00 0.00 C ATOM 1012 O ASP A 69 6.182 -24.458 0.250 1.00 0.00 O ATOM 1013 CB ASP A 69 4.030 -24.758 -1.369 1.00 0.00 C ATOM 1014 CG ASP A 69 3.099 -25.669 -2.144 1.00 0.00 C ATOM 1015 OD1 ASP A 69 3.421 -26.868 -2.283 1.00 0.00 O ATOM 1016 OD2 ASP A 69 2.047 -25.184 -2.610 1.00 0.00 O ATOM 0 H ASP A 69 1.939 -24.365 0.939 1.00 0.00 H new ATOM 0 HA ASP A 69 3.488 -25.862 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.876 -23.728 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.063 -25.015 -1.604 1.00 0.00 H new ATOM 1021 N GLU A 70 5.051 -24.473 2.196 1.00 0.00 N ATOM 1022 CA GLU A 70 6.232 -24.208 3.010 1.00 0.00 C ATOM 1023 C GLU A 70 7.104 -23.132 2.369 1.00 0.00 C ATOM 1024 O GLU A 70 8.325 -23.130 2.529 1.00 0.00 O ATOM 1025 CB GLU A 70 7.044 -25.490 3.203 1.00 0.00 C ATOM 1026 CG GLU A 70 6.230 -26.648 3.756 1.00 0.00 C ATOM 1027 CD GLU A 70 6.764 -27.998 3.317 1.00 0.00 C ATOM 1028 OE1 GLU A 70 7.715 -28.495 3.955 1.00 0.00 O ATOM 1029 OE2 GLU A 70 6.230 -28.557 2.336 1.00 0.00 O ATOM 0 H GLU A 70 4.185 -24.569 2.727 1.00 0.00 H new ATOM 0 HA GLU A 70 5.898 -23.849 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.476 -25.784 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.875 -25.286 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.228 -26.599 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.195 -26.548 3.431 1.00 0.00 H new ATOM 1036 N LYS A 71 6.469 -22.220 1.641 1.00 0.00 N ATOM 1037 CA LYS A 71 7.185 -21.138 0.976 1.00 0.00 C ATOM 1038 C LYS A 71 6.442 -19.815 1.136 1.00 0.00 C ATOM 1039 O LYS A 71 5.326 -19.778 1.653 1.00 0.00 O ATOM 1040 CB LYS A 71 7.365 -21.456 -0.510 1.00 0.00 C ATOM 1041 CG LYS A 71 8.546 -22.368 -0.798 1.00 0.00 C ATOM 1042 CD LYS A 71 8.536 -22.855 -2.237 1.00 0.00 C ATOM 1043 CE LYS A 71 8.836 -21.724 -3.210 1.00 0.00 C ATOM 1044 NZ LYS A 71 10.299 -21.562 -3.437 1.00 0.00 N ATOM 0 H LYS A 71 5.459 -22.209 1.496 1.00 0.00 H new ATOM 0 HA LYS A 71 8.165 -21.044 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.455 -21.924 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.494 -20.524 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.476 -21.835 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.519 -23.224 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.275 -23.647 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.563 -23.288 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.341 -21.922 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.423 -20.793 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.462 -20.782 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.769 -21.348 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.689 -22.442 -3.830 1.00 0.00 H new ATOM 1058 N MET A 72 7.069 -18.731 0.689 1.00 0.00 N ATOM 1059 CA MET A 72 6.466 -17.407 0.781 1.00 0.00 C ATOM 1060 C MET A 72 6.578 -16.665 -0.547 1.00 0.00 C ATOM 1061 O MET A 72 7.446 -16.967 -1.366 1.00 0.00 O ATOM 1062 CB MET A 72 7.135 -16.594 1.891 1.00 0.00 C ATOM 1063 CG MET A 72 8.654 -16.654 1.857 1.00 0.00 C ATOM 1064 SD MET A 72 9.401 -16.246 3.446 1.00 0.00 S ATOM 1065 CE MET A 72 8.325 -14.924 3.996 1.00 0.00 C ATOM 0 H MET A 72 7.994 -18.744 0.260 1.00 0.00 H new ATOM 0 HA MET A 72 5.410 -17.532 1.019 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.819 -15.554 1.810 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.787 -16.958 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.968 -17.654 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.024 -15.964 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.901 -14.205 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.890 -14.425 3.130 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.528 -15.337 4.615 1.00 0.00 H new ATOM 1075 N ALA A 73 5.695 -15.694 -0.753 1.00 0.00 N ATOM 1076 CA ALA A 73 5.696 -14.908 -1.981 1.00 0.00 C ATOM 1077 C ALA A 73 5.748 -13.415 -1.677 1.00 0.00 C ATOM 1078 O ALA A 73 5.622 -13.002 -0.525 1.00 0.00 O ATOM 1079 CB ALA A 73 4.469 -15.236 -2.819 1.00 0.00 C ATOM 0 H ALA A 73 4.969 -15.432 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 73 6.590 -15.168 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.483 -14.642 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.476 -16.295 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.568 -15.006 -2.250 1.00 0.00 H new ATOM 1085 N MET A 74 5.936 -12.610 -2.718 1.00 0.00 N ATOM 1086 CA MET A 74 6.004 -11.162 -2.561 1.00 0.00 C ATOM 1087 C MET A 74 4.807 -10.486 -3.223 1.00 0.00 C ATOM 1088 O MET A 74 4.473 -10.778 -4.371 1.00 0.00 O ATOM 1089 CB MET A 74 7.304 -10.623 -3.161 1.00 0.00 C ATOM 1090 CG MET A 74 8.483 -10.675 -2.202 1.00 0.00 C ATOM 1091 SD MET A 74 10.040 -10.225 -2.991 1.00 0.00 S ATOM 1092 CE MET A 74 9.758 -8.489 -3.332 1.00 0.00 C ATOM 0 H MET A 74 6.044 -12.936 -3.679 1.00 0.00 H new ATOM 0 HA MET A 74 5.983 -10.936 -1.495 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.548 -11.197 -4.055 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.148 -9.592 -3.477 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.296 -10.002 -1.366 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.567 -11.680 -1.789 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.491 -8.137 -4.058 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.754 -8.356 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 74 9.857 -7.916 -2.410 1.00 0.00 H new ATOM 1102 N PHE A 75 4.164 -9.582 -2.491 1.00 0.00 N ATOM 1103 CA PHE A 75 3.003 -8.866 -3.007 1.00 0.00 C ATOM 1104 C PHE A 75 3.334 -7.396 -3.249 1.00 0.00 C ATOM 1105 O PHE A 75 3.647 -6.657 -2.315 1.00 0.00 O ATOM 1106 CB PHE A 75 1.830 -8.983 -2.031 1.00 0.00 C ATOM 1107 CG PHE A 75 1.127 -10.308 -2.094 1.00 0.00 C ATOM 1108 CD1 PHE A 75 1.804 -11.481 -1.803 1.00 0.00 C ATOM 1109 CD2 PHE A 75 -0.211 -10.381 -2.446 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.160 -12.703 -1.860 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.860 -11.600 -2.505 1.00 0.00 C ATOM 1112 CZ PHE A 75 -0.174 -12.762 -2.212 1.00 0.00 C ATOM 0 H PHE A 75 4.427 -9.328 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 75 2.722 -9.318 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.195 -8.822 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.113 -8.190 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.848 -11.440 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.753 -9.476 -2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.699 -13.610 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.903 -11.644 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.680 -13.715 -2.258 1.00 0.00 H new ATOM 1122 N SER A 76 3.263 -6.979 -4.509 1.00 0.00 N ATOM 1123 CA SER A 76 3.559 -5.599 -4.875 1.00 0.00 C ATOM 1124 C SER A 76 2.305 -4.735 -4.794 1.00 0.00 C ATOM 1125 O SER A 76 1.359 -4.917 -5.562 1.00 0.00 O ATOM 1126 CB SER A 76 4.143 -5.539 -6.288 1.00 0.00 C ATOM 1127 OG SER A 76 3.253 -6.107 -7.233 1.00 0.00 O ATOM 0 H SER A 76 3.003 -7.577 -5.293 1.00 0.00 H new ATOM 0 HA SER A 76 4.293 -5.211 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.350 -4.503 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.094 -6.071 -6.314 1.00 0.00 H new ATOM 0 HG SER A 76 3.649 -6.055 -8.128 1.00 0.00 H new ATOM 1133 N LEU A 77 2.303 -3.792 -3.858 1.00 0.00 N ATOM 1134 CA LEU A 77 1.166 -2.898 -3.674 1.00 0.00 C ATOM 1135 C LEU A 77 1.446 -1.528 -4.283 1.00 0.00 C ATOM 1136 O LEU A 77 2.064 -0.671 -3.651 1.00 0.00 O ATOM 1137 CB LEU A 77 0.842 -2.750 -2.186 1.00 0.00 C ATOM 1138 CG LEU A 77 -0.139 -3.770 -1.609 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.578 -5.066 -1.265 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.837 -3.203 -0.381 1.00 0.00 C ATOM 0 H LEU A 77 3.077 -3.627 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 77 0.307 -3.334 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.774 -2.813 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.437 -1.752 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.894 -3.986 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.137 -5.780 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.030 -5.482 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.355 -4.867 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.532 -3.943 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.095 -2.957 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.385 -2.302 -0.657 1.00 0.00 H new ATOM 1152 N ALA A 78 0.986 -1.327 -5.514 1.00 0.00 N ATOM 1153 CA ALA A 78 1.184 -0.060 -6.207 1.00 0.00 C ATOM 1154 C ALA A 78 0.276 1.024 -5.637 1.00 0.00 C ATOM 1155 O ALA A 78 -0.874 1.166 -6.053 1.00 0.00 O ATOM 1156 CB ALA A 78 0.936 -0.230 -7.698 1.00 0.00 C ATOM 0 H ALA A 78 0.473 -2.026 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 78 2.217 0.252 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.087 0.724 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.630 -0.968 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.087 -0.568 -7.860 1.00 0.00 H new ATOM 1162 N CYS A 79 0.800 1.787 -4.684 1.00 0.00 N ATOM 1163 CA CYS A 79 0.035 2.859 -4.056 1.00 0.00 C ATOM 1164 C CYS A 79 0.241 4.178 -4.793 1.00 0.00 C ATOM 1165 O CYS A 79 1.350 4.491 -5.227 1.00 0.00 O ATOM 1166 CB CYS A 79 0.441 3.012 -2.589 1.00 0.00 C ATOM 1167 SG CYS A 79 0.290 1.494 -1.619 1.00 0.00 S ATOM 0 H CYS A 79 1.751 1.684 -4.329 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.022 2.596 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.473 3.358 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.175 3.786 -2.131 1.00 0.00 H new ATOM 0 HG CYS A 79 0.889 0.521 -2.240 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.835 4.945 -4.934 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.773 6.229 -5.620 1.00 0.00 C ATOM 1175 C ILE A 80 -1.633 7.272 -4.914 1.00 0.00 C ATOM 1176 O ILE A 80 -2.857 7.143 -4.851 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.231 6.108 -7.085 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.356 5.101 -7.834 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.188 7.467 -7.768 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.828 4.822 -9.244 1.00 0.00 C ATOM 0 H ILE A 80 -1.760 4.699 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 80 0.269 6.547 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.260 5.749 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.667 5.476 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.333 4.165 -7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.515 7.365 -8.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.850 8.158 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.169 7.853 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.161 4.100 -9.715 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.840 4.417 -9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.824 5.748 -9.819 1.00 0.00 H new ATOM 1192 N LEU A 81 -0.987 8.306 -4.387 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.693 9.373 -3.687 1.00 0.00 C ATOM 1194 C LEU A 81 -2.133 10.463 -4.658 1.00 0.00 C ATOM 1195 O LEU A 81 -1.319 11.094 -5.332 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.800 9.974 -2.599 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.294 9.001 -1.533 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.705 9.688 -0.615 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.457 8.437 -0.731 1.00 0.00 C ATOM 0 H LEU A 81 0.025 8.428 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.582 8.944 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.062 10.436 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.353 10.771 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 81 0.211 8.175 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.054 8.981 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.553 10.043 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.225 10.534 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.078 7.747 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.990 9.252 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.137 7.908 -1.399 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.453 10.692 -4.732 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.032 11.708 -5.616 1.00 0.00 C ATOM 1213 C PRO A 82 -3.712 13.127 -5.157 1.00 0.00 C ATOM 1214 O PRO A 82 -2.966 13.326 -4.198 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.536 11.443 -5.524 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.725 10.788 -4.200 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.481 9.978 -3.958 1.00 0.00 C ATOM 0 HA PRO A 82 -3.635 11.641 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.106 12.370 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.875 10.800 -6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.867 11.530 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.610 10.152 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.229 9.936 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.599 8.949 -4.299 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.280 14.110 -5.847 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.055 15.510 -5.510 1.00 0.00 C ATOM 1227 C PHE A 83 -5.213 16.064 -4.685 1.00 0.00 C ATOM 1228 O PHE A 83 -5.493 17.263 -4.713 1.00 0.00 O ATOM 1229 CB PHE A 83 -3.877 16.341 -6.782 1.00 0.00 C ATOM 1230 CG PHE A 83 -2.778 15.842 -7.676 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -1.502 15.635 -7.176 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.020 15.578 -9.014 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -0.488 15.177 -7.996 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.010 15.119 -9.839 1.00 0.00 C ATOM 1235 CZ PHE A 83 -0.743 14.917 -9.329 1.00 0.00 C ATOM 0 H PHE A 83 -4.900 13.963 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.145 15.572 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.814 16.344 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.668 17.374 -6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.298 15.834 -6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.010 15.733 -9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.503 15.022 -7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.212 14.919 -10.881 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.047 14.556 -9.971 1.00 0.00 H new ATOM 1245 N LYS A 84 -5.884 15.183 -3.952 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.012 15.581 -3.118 1.00 0.00 C ATOM 1247 C LYS A 84 -6.843 15.066 -1.692 1.00 0.00 C ATOM 1248 O LYS A 84 -7.163 15.761 -0.728 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.321 15.055 -3.710 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.345 15.053 -5.228 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.721 15.409 -5.765 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.904 16.914 -5.878 1.00 0.00 C ATOM 1253 NZ LYS A 84 -9.156 17.478 -7.036 1.00 0.00 N ATOM 0 H LYS A 84 -5.666 14.187 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.045 16.670 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.490 14.040 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.147 15.665 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.611 15.765 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.053 14.069 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.860 14.950 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.487 14.997 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.964 17.144 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.564 17.391 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.462 18.458 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.137 17.464 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.347 16.907 -7.884 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.337 13.844 -1.566 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.126 13.235 -0.257 1.00 0.00 C ATOM 1269 C TYR A 85 -5.873 14.301 0.805 1.00 0.00 C ATOM 1270 O TYR A 85 -5.198 15.303 0.567 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.949 12.261 -0.309 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.076 11.106 0.659 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.198 10.287 0.651 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -4.074 10.835 1.583 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.319 9.232 1.534 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -4.185 9.780 2.469 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.310 8.982 2.440 1.00 0.00 C ATOM 1278 OH TYR A 85 -5.426 7.932 3.322 1.00 0.00 O ATOM 0 H TYR A 85 -6.065 13.256 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.030 12.688 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.858 11.867 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.029 12.804 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.990 10.479 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.193 11.460 1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.199 8.606 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.396 9.582 3.179 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.026 8.185 4.054 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.427 14.080 2.006 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.232 12.892 2.300 1.00 0.00 C ATOM 1290 C PRO A 86 -8.574 12.907 1.576 1.00 0.00 C ATOM 1291 O PRO A 86 -9.303 11.916 1.579 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.441 12.971 3.815 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.315 14.419 4.139 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.309 14.975 3.170 1.00 0.00 C ATOM 0 HA PRO A 86 -6.742 11.976 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.420 12.585 4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.697 12.380 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.275 14.926 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.985 14.561 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.533 16.009 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.301 14.963 3.586 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.893 14.038 0.955 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.146 14.181 0.224 1.00 0.00 C ATOM 1304 C ALA A 87 -10.593 12.847 -0.365 1.00 0.00 C ATOM 1305 O ALA A 87 -11.517 12.211 0.143 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.000 15.223 -0.875 1.00 0.00 C ATOM 0 H ALA A 87 -8.301 14.868 0.944 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.911 14.514 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.943 15.319 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.735 16.183 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.217 14.914 -1.568 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.933 12.429 -1.440 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.262 11.170 -2.098 1.00 0.00 C ATOM 1314 C VAL A 88 -9.230 10.095 -1.776 1.00 0.00 C ATOM 1315 O VAL A 88 -8.029 10.300 -1.952 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.349 11.342 -3.626 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.199 12.552 -3.980 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -8.957 11.463 -4.228 1.00 0.00 C ATOM 0 H VAL A 88 -9.167 12.944 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.235 10.859 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.827 10.457 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.249 12.657 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.205 12.419 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.754 13.448 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.037 11.584 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.451 12.329 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.385 10.563 -4.005 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.707 8.949 -1.303 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.826 7.839 -0.956 1.00 0.00 C ATOM 1330 C LEU A 89 -7.800 7.593 -2.058 1.00 0.00 C ATOM 1331 O LEU A 89 -7.987 7.980 -3.211 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.643 6.569 -0.712 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.301 6.448 0.663 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -11.326 5.325 0.667 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -9.250 6.218 1.739 1.00 0.00 C ATOM 0 H LEU A 89 -10.698 8.764 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.294 8.102 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.422 6.511 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.991 5.708 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.817 7.383 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.784 5.254 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.096 5.532 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.834 4.383 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.736 6.134 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.706 5.298 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.554 7.057 1.753 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.690 6.933 -1.696 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.613 6.618 -2.641 1.00 0.00 C ATOM 1349 C PRO A 90 -6.027 5.563 -3.661 1.00 0.00 C ATOM 1350 O PRO A 90 -7.147 5.054 -3.621 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.497 6.083 -1.740 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.200 5.557 -0.537 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.400 6.442 -0.339 1.00 0.00 C ATOM 0 HA PRO A 90 -5.323 7.486 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.927 5.300 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.792 6.870 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.500 4.519 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.549 5.581 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.242 5.889 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.186 7.261 0.347 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.116 5.238 -4.573 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.388 4.243 -5.603 1.00 0.00 C ATOM 1363 C GLU A 91 -4.410 3.076 -5.505 1.00 0.00 C ATOM 1364 O GLU A 91 -3.557 2.893 -6.374 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.303 4.879 -6.992 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.582 5.577 -7.422 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.600 4.619 -8.011 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -8.351 3.998 -7.230 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.645 4.491 -9.252 1.00 0.00 O ATOM 0 H GLU A 91 -4.184 5.649 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.397 3.862 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.485 5.599 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.058 4.107 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.021 6.085 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.343 6.345 -8.158 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.540 2.291 -4.441 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.669 1.142 -4.229 1.00 0.00 C ATOM 1378 C ILE A 92 -4.056 -0.017 -5.140 1.00 0.00 C ATOM 1379 O ILE A 92 -5.228 -0.384 -5.234 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.711 0.666 -2.764 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.322 1.808 -1.823 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.787 -0.527 -2.569 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.612 1.516 -0.367 1.00 0.00 C ATOM 0 H ILE A 92 -5.240 2.430 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.656 1.466 -4.468 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.728 0.356 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.258 2.017 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.858 2.710 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.827 -0.852 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.105 -1.343 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.766 -0.241 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.311 2.368 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.679 1.336 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.055 0.633 -0.055 1.00 0.00 H new ATOM 1395 N THR A 93 -3.063 -0.594 -5.810 1.00 0.00 N ATOM 1396 CA THR A 93 -3.299 -1.713 -6.713 1.00 0.00 C ATOM 1397 C THR A 93 -2.430 -2.910 -6.345 1.00 0.00 C ATOM 1398 O THR A 93 -1.257 -2.976 -6.715 1.00 0.00 O ATOM 1399 CB THR A 93 -3.021 -1.322 -8.177 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.756 -0.141 -8.517 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.402 -2.452 -9.121 1.00 0.00 C ATOM 0 H THR A 93 -2.087 -0.304 -5.744 1.00 0.00 H new ATOM 0 HA THR A 93 -4.349 -1.985 -6.610 1.00 0.00 H new ATOM 0 HB THR A 93 -1.954 -1.128 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.572 0.102 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.197 -2.152 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.819 -3.341 -8.879 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.464 -2.674 -9.013 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.012 -3.856 -5.615 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.291 -5.052 -5.198 1.00 0.00 C ATOM 1411 C VAL A 94 -2.084 -6.006 -6.370 1.00 0.00 C ATOM 1412 O VAL A 94 -3.018 -6.300 -7.115 1.00 0.00 O ATOM 1413 CB VAL A 94 -3.036 -5.794 -4.072 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.120 -6.807 -3.402 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.585 -4.804 -3.056 1.00 0.00 C ATOM 0 H VAL A 94 -3.981 -3.817 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.321 -4.722 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.876 -6.334 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.664 -7.321 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.780 -7.534 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.258 -6.293 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.108 -5.345 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.763 -4.235 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.278 -4.122 -3.550 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.854 -6.485 -6.526 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.524 -7.405 -7.607 1.00 0.00 C ATOM 1427 C ARG A 95 0.233 -8.619 -7.077 1.00 0.00 C ATOM 1428 O ARG A 95 0.878 -8.552 -6.031 1.00 0.00 O ATOM 1429 CB ARG A 95 0.313 -6.694 -8.672 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.311 -5.403 -9.175 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.556 -5.671 -10.005 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.245 -5.832 -11.423 1.00 0.00 N ATOM 1433 CZ ARG A 95 -2.168 -5.994 -12.364 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -3.454 -6.015 -12.040 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -1.806 -6.133 -13.633 1.00 0.00 N ATOM 0 H ARG A 95 -0.070 -6.251 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.456 -7.748 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.299 -6.475 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.462 -7.368 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.568 -4.768 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.416 -4.856 -9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.050 -6.571 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.259 -4.848 -9.879 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.265 -5.819 -11.706 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.736 -5.907 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.161 -6.140 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.818 -6.115 -13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.516 -6.257 -14.355 1.00 0.00 H new ATOM 1449 N SER A 96 0.148 -9.728 -7.805 1.00 0.00 N ATOM 1450 CA SER A 96 0.821 -10.958 -7.406 1.00 0.00 C ATOM 1451 C SER A 96 0.735 -12.007 -8.510 1.00 0.00 C ATOM 1452 O SER A 96 -0.353 -12.361 -8.963 1.00 0.00 O ATOM 1453 CB SER A 96 0.205 -11.506 -6.117 1.00 0.00 C ATOM 1454 OG SER A 96 0.778 -12.754 -5.768 1.00 0.00 O ATOM 0 H SER A 96 -0.381 -9.800 -8.674 1.00 0.00 H new ATOM 0 HA SER A 96 1.872 -10.727 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.357 -10.793 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.872 -11.620 -6.244 1.00 0.00 H new ATOM 0 HG SER A 96 0.620 -12.932 -4.817 1.00 0.00 H new ATOM 1460 N VAL A 97 1.892 -12.501 -8.939 1.00 0.00 N ATOM 1461 CA VAL A 97 1.950 -13.510 -9.990 1.00 0.00 C ATOM 1462 C VAL A 97 1.129 -14.740 -9.616 1.00 0.00 C ATOM 1463 O VAL A 97 0.474 -15.345 -10.466 1.00 0.00 O ATOM 1464 CB VAL A 97 3.401 -13.942 -10.275 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.845 -15.007 -9.284 1.00 0.00 C ATOM 1466 CG2 VAL A 97 3.536 -14.443 -11.705 1.00 0.00 C ATOM 0 H VAL A 97 2.802 -12.219 -8.575 1.00 0.00 H new ATOM 0 HA VAL A 97 1.531 -13.056 -10.888 1.00 0.00 H new ATOM 0 HB VAL A 97 4.051 -13.075 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.872 -15.300 -9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.787 -14.608 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.194 -15.877 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.567 -14.744 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.876 -15.298 -11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.261 -13.647 -12.397 1.00 0.00 H new ATOM 1476 N LEU A 98 1.169 -15.105 -8.339 1.00 0.00 N ATOM 1477 CA LEU A 98 0.428 -16.263 -7.851 1.00 0.00 C ATOM 1478 C LEU A 98 -1.070 -16.086 -8.078 1.00 0.00 C ATOM 1479 O LEU A 98 -1.745 -16.991 -8.571 1.00 0.00 O ATOM 1480 CB LEU A 98 0.708 -16.482 -6.364 1.00 0.00 C ATOM 1481 CG LEU A 98 2.176 -16.415 -5.940 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.317 -16.711 -4.455 1.00 0.00 C ATOM 1483 CD2 LEU A 98 3.013 -17.385 -6.761 1.00 0.00 C ATOM 0 H LEU A 98 1.706 -14.616 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 98 0.760 -17.138 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.152 -15.736 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.313 -17.457 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 98 2.542 -15.405 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.368 -16.659 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.750 -15.977 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.934 -17.710 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.055 -17.324 -6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.647 -18.400 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.938 -17.127 -7.817 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.583 -14.916 -7.716 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.002 -14.619 -7.882 1.00 0.00 C ATOM 1497 C LEU A 99 -3.409 -14.709 -9.349 1.00 0.00 C ATOM 1498 O LEU A 99 -2.587 -14.515 -10.245 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.318 -13.225 -7.337 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.539 -13.128 -5.828 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.487 -11.678 -5.372 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.867 -13.763 -5.441 1.00 0.00 C ATOM 0 H LEU A 99 -1.038 -14.157 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.572 -15.360 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.500 -12.557 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.212 -12.855 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.739 -13.673 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.647 -11.629 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.512 -11.255 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.265 -11.109 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.007 -13.685 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.680 -13.246 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.866 -14.814 -5.731 1.00 0.00 H new ATOM 1514 N SER A 100 -4.684 -15.002 -9.587 1.00 0.00 N ATOM 1515 CA SER A 100 -5.200 -15.119 -10.946 1.00 0.00 C ATOM 1516 C SER A 100 -5.808 -13.800 -11.412 1.00 0.00 C ATOM 1517 O SER A 100 -5.905 -12.843 -10.643 1.00 0.00 O ATOM 1518 CB SER A 100 -6.248 -16.232 -11.022 1.00 0.00 C ATOM 1519 OG SER A 100 -5.641 -17.510 -10.946 1.00 0.00 O ATOM 0 H SER A 100 -5.378 -15.163 -8.857 1.00 0.00 H new ATOM 0 HA SER A 100 -4.367 -15.368 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.964 -16.117 -10.209 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.807 -16.146 -11.954 1.00 0.00 H new ATOM 0 HG SER A 100 -6.332 -18.204 -10.995 1.00 0.00 H new ATOM 1525 N ARG A 101 -6.216 -13.757 -12.676 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.813 -12.555 -13.245 1.00 0.00 C ATOM 1527 C ARG A 101 -8.052 -12.138 -12.458 1.00 0.00 C ATOM 1528 O ARG A 101 -8.255 -10.956 -12.182 1.00 0.00 O ATOM 1529 CB ARG A 101 -7.182 -12.789 -14.711 1.00 0.00 C ATOM 1530 CG ARG A 101 -6.019 -12.598 -15.671 1.00 0.00 C ATOM 1531 CD ARG A 101 -5.138 -13.835 -15.732 1.00 0.00 C ATOM 1532 NE ARG A 101 -4.293 -13.848 -16.923 1.00 0.00 N ATOM 1533 CZ ARG A 101 -3.602 -14.909 -17.323 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -3.654 -16.038 -16.630 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -2.856 -14.843 -18.418 1.00 0.00 N ATOM 0 H ARG A 101 -6.144 -14.540 -13.325 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.079 -11.752 -13.185 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.571 -13.801 -14.822 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.986 -12.107 -14.988 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.401 -12.373 -16.667 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.423 -11.741 -15.357 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.510 -13.877 -14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -5.765 -14.727 -15.723 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.230 -12.995 -17.478 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.226 -16.093 -15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.122 -16.851 -16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.813 -13.976 -18.954 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.326 -15.659 -18.724 1.00 0.00 H new ATOM 1549 N SER A 102 -8.877 -13.117 -12.100 1.00 0.00 N ATOM 1550 CA SER A 102 -10.097 -12.852 -11.348 1.00 0.00 C ATOM 1551 C SER A 102 -9.782 -12.561 -9.884 1.00 0.00 C ATOM 1552 O SER A 102 -10.071 -11.476 -9.380 1.00 0.00 O ATOM 1553 CB SER A 102 -11.053 -14.042 -11.449 1.00 0.00 C ATOM 1554 OG SER A 102 -11.279 -14.402 -12.801 1.00 0.00 O ATOM 0 H SER A 102 -8.722 -14.101 -12.319 1.00 0.00 H new ATOM 0 HA SER A 102 -10.576 -11.973 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.638 -14.892 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.001 -13.792 -10.973 1.00 0.00 H new ATOM 0 HG SER A 102 -11.892 -15.166 -12.838 1.00 0.00 H new ATOM 1560 N GLN A 103 -9.187 -13.539 -9.208 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.833 -13.389 -7.802 1.00 0.00 C ATOM 1562 C GLN A 103 -8.239 -12.010 -7.534 1.00 0.00 C ATOM 1563 O GLN A 103 -8.823 -11.203 -6.812 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.838 -14.475 -7.386 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.479 -15.837 -7.174 1.00 0.00 C ATOM 1566 CD GLN A 103 -7.465 -16.911 -6.833 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -6.758 -16.819 -5.829 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -7.388 -17.940 -7.670 1.00 0.00 N ATOM 0 H GLN A 103 -8.940 -14.443 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.743 -13.494 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.066 -14.561 -8.150 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.342 -14.169 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.214 -15.768 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.019 -16.125 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.993 -17.976 -8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.724 -18.694 -7.492 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.076 -11.748 -8.121 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.403 -10.466 -7.944 1.00 0.00 C ATOM 1579 C GLN A 104 -7.408 -9.318 -7.955 1.00 0.00 C ATOM 1580 O GLN A 104 -7.438 -8.496 -7.039 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.360 -10.258 -9.043 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.507 -9.015 -8.845 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.950 -8.909 -7.439 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.796 -9.257 -7.188 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.769 -8.425 -6.512 1.00 0.00 N ATOM 0 H GLN A 104 -6.580 -12.406 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.902 -10.477 -6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.710 -11.132 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.867 -10.191 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.683 -9.027 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.105 -8.130 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.718 -8.149 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.449 -8.330 -5.548 1.00 0.00 H new ATOM 1594 N THR A 105 -8.229 -9.267 -8.999 1.00 0.00 N ATOM 1595 CA THR A 105 -9.234 -8.220 -9.131 1.00 0.00 C ATOM 1596 C THR A 105 -10.046 -8.073 -7.849 1.00 0.00 C ATOM 1597 O THR A 105 -10.016 -7.026 -7.203 1.00 0.00 O ATOM 1598 CB THR A 105 -10.192 -8.505 -10.303 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.445 -8.750 -11.499 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.141 -7.336 -10.522 1.00 0.00 C ATOM 0 H THR A 105 -8.217 -9.939 -9.766 1.00 0.00 H new ATOM 0 HA THR A 105 -8.699 -7.291 -9.327 1.00 0.00 H new ATOM 0 HB THR A 105 -10.780 -9.389 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.230 -9.704 -11.561 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.808 -7.560 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.730 -7.171 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.566 -6.438 -10.749 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.769 -9.128 -7.488 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.589 -9.114 -6.282 1.00 0.00 C ATOM 1610 C GLN A 106 -10.857 -8.427 -5.134 1.00 0.00 C ATOM 1611 O GLN A 106 -11.392 -7.518 -4.498 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.967 -10.541 -5.881 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.821 -10.614 -4.626 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.122 -9.848 -4.760 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.090 -10.342 -5.341 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.153 -8.634 -4.222 1.00 0.00 N ATOM 0 H GLN A 106 -10.804 -10.002 -8.012 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.498 -8.552 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.505 -11.010 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.056 -11.119 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.040 -11.658 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.256 -10.217 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.328 -8.264 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.002 -8.072 -4.281 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.632 -8.868 -4.872 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.826 -8.296 -3.799 1.00 0.00 C ATOM 1627 C LEU A 107 -8.747 -6.778 -3.927 1.00 0.00 C ATOM 1628 O LEU A 107 -9.140 -6.048 -3.019 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.418 -8.894 -3.818 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.484 -8.448 -2.692 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.340 -9.435 -2.525 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.949 -7.050 -2.965 1.00 0.00 C ATOM 0 H LEU A 107 -9.175 -9.620 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.305 -8.538 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.506 -9.980 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.951 -8.644 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.053 -8.423 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.686 -9.101 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.741 -10.419 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.772 -9.494 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.286 -6.749 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.396 -7.049 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.781 -6.349 -3.033 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.239 -6.310 -5.063 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.110 -4.879 -5.310 1.00 0.00 C ATOM 1646 C ASN A 108 -9.353 -4.131 -4.837 1.00 0.00 C ATOM 1647 O ASN A 108 -9.257 -3.133 -4.122 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.881 -4.617 -6.800 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.409 -4.614 -7.166 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.775 -3.560 -7.225 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.859 -5.796 -7.416 1.00 0.00 N ATOM 0 H ASN A 108 -7.910 -6.901 -5.826 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.251 -4.514 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.396 -5.380 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.322 -3.657 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.873 -5.856 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.423 -6.644 -7.355 1.00 0.00 H new ATOM 1658 N THR A 109 -10.522 -4.622 -5.239 1.00 0.00 N ATOM 1659 CA THR A 109 -11.783 -4.001 -4.857 1.00 0.00 C ATOM 1660 C THR A 109 -11.990 -4.059 -3.348 1.00 0.00 C ATOM 1661 O THR A 109 -12.331 -3.057 -2.719 1.00 0.00 O ATOM 1662 CB THR A 109 -12.977 -4.680 -5.554 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.891 -4.490 -6.970 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.295 -4.119 -5.041 1.00 0.00 C ATOM 0 H THR A 109 -10.620 -5.448 -5.829 1.00 0.00 H new ATOM 0 HA THR A 109 -11.731 -2.959 -5.174 1.00 0.00 H new ATOM 0 HB THR A 109 -12.942 -5.746 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.653 -4.926 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.123 -4.614 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.371 -4.292 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.336 -3.048 -5.239 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.781 -5.238 -2.772 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.943 -5.426 -1.335 1.00 0.00 C ATOM 1674 C ASP A 110 -11.054 -4.460 -0.557 1.00 0.00 C ATOM 1675 O ASP A 110 -11.542 -3.645 0.227 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.612 -6.868 -0.947 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.799 -7.797 -1.105 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.828 -7.563 -0.436 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -12.701 -8.758 -1.896 1.00 0.00 O ATOM 0 H ASP A 110 -11.499 -6.078 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.983 -5.219 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.789 -7.227 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.270 -6.893 0.088 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.748 -4.558 -0.778 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.790 -3.694 -0.097 1.00 0.00 C ATOM 1686 C LEU A 111 -9.356 -2.289 0.084 1.00 0.00 C ATOM 1687 O LEU A 111 -9.456 -1.787 1.203 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.480 -3.631 -0.885 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.479 -2.564 -0.439 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.202 -2.681 1.051 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.187 -2.679 -1.235 1.00 0.00 C ATOM 0 H LEU A 111 -9.328 -5.227 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.594 -4.116 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.994 -4.605 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.719 -3.461 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.914 -1.583 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.488 -1.914 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.131 -2.547 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.788 -3.666 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.486 -1.912 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.748 -3.664 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.400 -2.543 -2.295 1.00 0.00 H new ATOM 1703 N THR A 112 -9.728 -1.659 -1.027 1.00 0.00 N ATOM 1704 CA THR A 112 -10.285 -0.313 -0.991 1.00 0.00 C ATOM 1705 C THR A 112 -11.436 -0.221 0.004 1.00 0.00 C ATOM 1706 O THR A 112 -11.435 0.632 0.891 1.00 0.00 O ATOM 1707 CB THR A 112 -10.787 0.124 -2.381 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.727 0.024 -3.338 1.00 0.00 O ATOM 1709 CG2 THR A 112 -11.310 1.552 -2.343 1.00 0.00 C ATOM 0 H THR A 112 -9.653 -2.060 -1.962 1.00 0.00 H new ATOM 0 HA THR A 112 -9.482 0.353 -0.676 1.00 0.00 H new ATOM 0 HB THR A 112 -11.603 -0.537 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.617 -0.912 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.659 1.838 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.136 1.618 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.510 2.224 -2.032 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.418 -1.104 -0.150 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.574 -1.123 0.738 1.00 0.00 C ATOM 1719 C ALA A 113 -13.156 -0.910 2.189 1.00 0.00 C ATOM 1720 O ALA A 113 -13.617 0.022 2.848 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.330 -2.435 0.592 1.00 0.00 C ATOM 0 H ALA A 113 -12.436 -1.815 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.233 -0.303 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.191 -2.435 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.670 -2.546 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.671 -3.265 0.848 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.280 -1.780 2.681 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.801 -1.688 4.055 1.00 0.00 C ATOM 1729 C PHE A 114 -11.583 -0.233 4.459 1.00 0.00 C ATOM 1730 O PHE A 114 -12.158 0.245 5.438 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.498 -2.474 4.217 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.699 -2.069 5.423 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.078 -2.477 6.691 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.569 -1.279 5.287 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.345 -2.106 7.803 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.832 -0.905 6.395 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.221 -1.318 7.654 1.00 0.00 C ATOM 0 H PHE A 114 -11.888 -2.557 2.149 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.561 -2.118 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.730 -3.537 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.888 -2.338 3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.957 -3.093 6.813 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.261 -0.952 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.651 -2.432 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.952 -0.290 6.276 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.647 -1.025 8.521 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.748 0.467 3.699 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.453 1.869 3.976 1.00 0.00 C ATOM 1749 C LEU A 115 -11.716 2.720 3.885 1.00 0.00 C ATOM 1750 O LEU A 115 -12.054 3.446 4.819 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.400 2.392 2.998 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.025 1.727 3.073 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.209 2.046 1.830 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.286 2.170 4.327 1.00 0.00 C ATOM 0 H LEU A 115 -10.263 0.087 2.886 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.063 1.939 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.784 2.274 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.274 3.461 3.168 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.167 0.647 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.234 1.564 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.732 1.678 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.076 3.125 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.310 1.687 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.155 3.252 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.863 1.889 5.208 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.408 2.622 2.755 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.635 3.382 2.543 1.00 0.00 C ATOM 1768 C GLN A 116 -14.430 3.504 3.839 1.00 0.00 C ATOM 1769 O GLN A 116 -15.115 4.501 4.068 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.492 2.718 1.465 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.851 2.727 0.087 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.834 2.391 -1.017 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -15.226 1.235 -1.185 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -15.240 3.401 -1.777 1.00 0.00 N ATOM 0 H GLN A 116 -12.141 2.025 1.973 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.360 4.383 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.693 1.687 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.454 3.228 1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.420 3.710 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.030 2.010 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -14.890 4.343 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.902 3.235 -2.535 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.336 2.482 4.683 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.046 2.474 5.957 1.00 0.00 C ATOM 1785 C LYS A 117 -14.120 2.882 7.099 1.00 0.00 C ATOM 1786 O LYS A 117 -14.324 3.914 7.738 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.628 1.085 6.230 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.874 1.109 7.099 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.041 -0.189 7.870 1.00 0.00 C ATOM 1790 CE LYS A 117 -17.699 -1.264 7.018 1.00 0.00 C ATOM 1791 NZ LYS A 117 -18.498 -2.213 7.842 1.00 0.00 N ATOM 0 H LYS A 117 -13.775 1.648 4.508 1.00 0.00 H new ATOM 0 HA LYS A 117 -15.859 3.197 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.867 0.607 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.869 0.471 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.815 1.943 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.751 1.278 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.066 -0.539 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -17.644 -0.009 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.345 -0.795 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.933 -1.814 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.930 -2.930 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.877 -2.680 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.245 -1.693 8.344 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.100 2.067 7.348 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.141 2.344 8.412 1.00 0.00 C ATOM 1807 C HIS A 118 -11.587 3.760 8.287 1.00 0.00 C ATOM 1808 O HIS A 118 -11.598 4.529 9.249 1.00 0.00 O ATOM 1809 CB HIS A 118 -10.997 1.331 8.373 1.00 0.00 C ATOM 1810 CG HIS A 118 -11.266 0.093 9.173 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -10.578 -0.223 10.325 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.157 -0.908 8.981 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -11.032 -1.366 10.806 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -11.991 -1.803 10.009 1.00 0.00 N ATOM 0 H HIS A 118 -12.916 1.209 6.828 1.00 0.00 H new ATOM 0 HA HIS A 118 -12.659 2.258 9.367 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -10.806 1.050 7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.090 1.805 8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -12.866 -0.988 8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -10.679 -1.860 11.699 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.522 -2.665 10.137 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.103 4.098 7.097 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.542 5.421 6.847 1.00 0.00 C ATOM 1825 C CYS A 119 -11.300 6.130 5.729 1.00 0.00 C ATOM 1826 O CYS A 119 -11.146 5.798 4.553 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.060 5.310 6.485 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.146 6.863 6.634 1.00 0.00 S ATOM 0 H CYS A 119 -11.088 3.474 6.290 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.642 6.009 7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.595 4.564 7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.973 4.946 5.461 1.00 0.00 H new ATOM 0 HG CYS A 119 -8.059 7.429 5.467 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.119 7.108 6.103 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.902 7.863 5.131 1.00 0.00 C ATOM 1836 C HIS A 120 -12.752 9.364 5.362 1.00 0.00 C ATOM 1837 O HIS A 120 -13.633 10.004 5.935 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.376 7.467 5.214 1.00 0.00 C ATOM 1839 CG HIS A 120 -15.187 7.929 4.043 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -16.364 8.635 4.174 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.983 7.783 2.712 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.850 8.902 2.975 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -16.031 8.397 2.070 1.00 0.00 N ATOM 0 H HIS A 120 -12.258 7.396 7.072 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.526 7.627 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -14.448 6.382 5.290 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.804 7.880 6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -14.152 7.278 2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.763 9.442 2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -16.156 8.454 1.059 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.630 9.918 4.914 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.386 11.339 5.082 1.00 0.00 C ATOM 1854 C GLY A 121 -10.139 11.620 5.896 1.00 0.00 C ATOM 1855 O GLY A 121 -10.039 12.657 6.553 1.00 0.00 O ATOM 0 H GLY A 121 -10.886 9.409 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.290 11.806 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.246 11.797 5.570 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.187 10.695 5.856 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.940 10.848 6.596 1.00 0.00 C ATOM 1861 C ASP A 122 -6.779 10.204 5.845 1.00 0.00 C ATOM 1862 O ASP A 122 -6.971 9.583 4.799 1.00 0.00 O ATOM 1863 CB ASP A 122 -8.069 10.228 7.988 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.398 10.550 8.644 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.539 11.669 9.180 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.296 9.682 8.623 1.00 0.00 O ATOM 0 H ASP A 122 -9.255 9.831 5.319 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.736 11.914 6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.957 9.146 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.258 10.589 8.620 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.574 10.358 6.384 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.381 9.791 5.765 1.00 0.00 C ATOM 1873 C VAL A 123 -3.896 8.564 6.528 1.00 0.00 C ATOM 1874 O VAL A 123 -3.483 8.662 7.684 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.240 10.824 5.696 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.652 12.019 4.850 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.836 11.264 7.095 1.00 0.00 C ATOM 0 H VAL A 123 -5.398 10.871 7.248 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.658 9.499 4.752 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.377 10.356 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.834 12.738 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.888 11.685 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.530 12.491 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.029 11.994 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.692 11.715 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.497 10.399 7.665 1.00 0.00 H new ATOM 1887 N CYS A 124 -3.948 7.409 5.874 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.514 6.161 6.491 1.00 0.00 C ATOM 1889 C CYS A 124 -3.229 5.101 5.432 1.00 0.00 C ATOM 1890 O CYS A 124 -4.149 4.540 4.837 1.00 0.00 O ATOM 1891 CB CYS A 124 -4.578 5.652 7.465 1.00 0.00 C ATOM 1892 SG CYS A 124 -4.446 6.344 9.130 1.00 0.00 S ATOM 0 H CYS A 124 -4.286 7.311 4.917 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.593 6.357 7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.564 5.885 7.063 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.508 4.566 7.528 1.00 0.00 H new ATOM 0 HG CYS A 124 -3.950 7.544 9.063 1.00 0.00 H new ATOM 1898 N ILE A 125 -1.948 4.834 5.200 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.542 3.842 4.212 1.00 0.00 C ATOM 1900 C ILE A 125 -1.326 2.478 4.859 1.00 0.00 C ATOM 1901 O ILE A 125 -1.760 1.453 4.331 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.249 4.265 3.489 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.455 5.600 2.770 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.184 3.188 2.506 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.310 5.491 1.527 1.00 0.00 C ATOM 0 H ILE A 125 -1.174 5.291 5.683 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.350 3.772 3.484 1.00 0.00 H new ATOM 0 HB ILE A 125 0.540 4.391 4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.918 6.307 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.517 6.011 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.099 3.501 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.366 2.257 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.602 3.033 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.414 6.475 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.838 4.809 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.295 5.110 1.795 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.655 2.472 6.005 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.383 1.234 6.727 1.00 0.00 C ATOM 1919 C LEU A 126 -1.668 0.444 6.957 1.00 0.00 C ATOM 1920 O LEU A 126 -1.722 -0.759 6.707 1.00 0.00 O ATOM 1921 CB LEU A 126 0.289 1.538 8.067 1.00 0.00 C ATOM 1922 CG LEU A 126 1.785 1.847 8.012 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.226 2.579 9.270 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.588 0.567 7.829 1.00 0.00 C ATOM 0 H LEU A 126 -0.289 3.311 6.455 1.00 0.00 H new ATOM 0 HA LEU A 126 0.290 0.629 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.221 2.387 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.139 0.685 8.728 1.00 0.00 H new ATOM 0 HG LEU A 126 1.971 2.495 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.294 2.790 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.675 3.515 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.026 1.957 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.651 0.806 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.396 -0.105 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.293 0.082 6.899 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.701 1.131 7.433 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.987 0.495 7.695 1.00 0.00 C ATOM 1938 C ASN A 127 -4.384 -0.424 6.543 1.00 0.00 C ATOM 1939 O ASN A 127 -5.090 -1.413 6.739 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.069 1.554 7.914 1.00 0.00 C ATOM 1941 CG ASN A 127 -6.309 0.985 8.577 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -7.421 1.132 8.069 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -6.122 0.332 9.718 1.00 0.00 N ATOM 0 H ASN A 127 -2.673 2.128 7.645 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.889 -0.106 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.667 2.358 8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.342 1.994 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.918 -0.072 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -5.182 0.235 10.102 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.925 -0.089 5.341 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.230 -0.884 4.158 1.00 0.00 C ATOM 1952 C ALA A 128 -3.282 -2.073 4.037 1.00 0.00 C ATOM 1953 O ALA A 128 -3.709 -3.196 3.766 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.158 -0.020 2.908 1.00 0.00 C ATOM 0 H ALA A 128 -3.341 0.728 5.161 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.244 -1.270 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.388 -0.627 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.880 0.793 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.154 0.394 2.809 1.00 0.00 H new ATOM 1960 N THR A 129 -1.993 -1.819 4.238 1.00 0.00 N ATOM 1961 CA THR A 129 -0.984 -2.867 4.148 1.00 0.00 C ATOM 1962 C THR A 129 -1.234 -3.959 5.182 1.00 0.00 C ATOM 1963 O THR A 129 -0.855 -5.113 4.983 1.00 0.00 O ATOM 1964 CB THR A 129 0.434 -2.301 4.349 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.515 -1.617 5.605 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.801 -1.347 3.222 1.00 0.00 C ATOM 0 H THR A 129 -1.623 -0.896 4.464 1.00 0.00 H new ATOM 0 HA THR A 129 -1.058 -3.293 3.147 1.00 0.00 H new ATOM 0 HB THR A 129 1.138 -3.133 4.343 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.356 -1.651 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.807 -0.960 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.767 -1.878 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.093 -0.519 3.201 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.875 -3.588 6.286 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.175 -4.538 7.350 1.00 0.00 C ATOM 1976 C GLU A 130 -3.425 -5.349 7.020 1.00 0.00 C ATOM 1977 O GLU A 130 -3.665 -6.405 7.605 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.366 -3.805 8.680 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.066 -3.320 9.299 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.404 -4.374 10.167 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.126 -5.248 10.691 1.00 0.00 O ATOM 1982 OE2 GLU A 130 0.833 -4.324 10.322 1.00 0.00 O ATOM 0 H GLU A 130 -2.196 -2.637 6.466 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.332 -5.223 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.025 -2.951 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.868 -4.470 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.379 -3.023 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.263 -2.432 9.899 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.218 -4.846 6.081 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.444 -5.522 5.673 1.00 0.00 C ATOM 1991 C TRP A 131 -5.192 -6.429 4.473 1.00 0.00 C ATOM 1992 O TRP A 131 -6.016 -7.282 4.143 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.528 -4.497 5.334 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.761 -5.110 4.743 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.971 -5.271 5.357 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.904 -5.646 3.423 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.857 -5.874 4.497 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.227 -6.114 3.304 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.044 -5.774 2.330 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.707 -6.700 2.136 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.521 -6.356 1.171 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.843 -6.812 1.081 1.00 0.00 C ATOM 0 H TRP A 131 -4.034 -3.972 5.588 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.784 -6.138 6.506 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.799 -3.953 6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.122 -3.768 4.633 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.198 -4.969 6.369 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.827 -6.106 4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.024 -5.424 2.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.725 -7.054 2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -6.864 -6.461 0.320 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.187 -7.261 0.161 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.048 -6.239 3.823 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.687 -7.042 2.660 1.00 0.00 C ATOM 2015 C VAL A 132 -2.828 -8.235 3.061 1.00 0.00 C ATOM 2016 O VAL A 132 -3.181 -9.384 2.795 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.928 -6.204 1.614 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.203 -7.109 0.630 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.881 -5.267 0.888 1.00 0.00 C ATOM 0 H VAL A 132 -3.355 -5.536 4.082 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.618 -7.401 2.221 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.183 -5.598 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.672 -6.500 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.490 -7.734 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.927 -7.743 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.327 -4.683 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.651 -5.851 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.349 -4.595 1.607 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.698 -7.955 3.703 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.787 -9.006 4.140 1.00 0.00 C ATOM 2031 C ARG A 133 -1.560 -10.234 4.611 1.00 0.00 C ATOM 2032 O ARG A 133 -1.076 -11.360 4.507 1.00 0.00 O ATOM 2033 CB ARG A 133 0.113 -8.494 5.266 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.584 -8.414 6.615 1.00 0.00 C ATOM 2035 CD ARG A 133 0.406 -8.152 7.739 1.00 0.00 C ATOM 2036 NE ARG A 133 1.050 -9.379 8.198 1.00 0.00 N ATOM 2037 CZ ARG A 133 0.424 -10.322 8.894 1.00 0.00 C ATOM 2038 NH1 ARG A 133 -0.856 -10.179 9.208 1.00 0.00 N ATOM 2039 NH2 ARG A 133 1.079 -11.411 9.276 1.00 0.00 N ATOM 0 H ARG A 133 -1.392 -7.009 3.932 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.167 -9.292 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.980 -9.149 5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.486 -7.505 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.330 -7.620 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.116 -9.346 6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.166 -7.450 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.111 -7.679 8.574 1.00 0.00 H new ATOM 0 HE ARG A 133 2.035 -9.520 7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -1.363 -9.344 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.334 -10.904 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.064 -11.525 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.598 -12.134 9.810 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.763 -10.007 5.129 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.602 -11.096 5.617 1.00 0.00 C ATOM 2055 C GLU A 134 -4.509 -11.623 4.509 1.00 0.00 C ATOM 2056 O GLU A 134 -4.515 -12.818 4.212 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.447 -10.626 6.803 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.028 -11.764 7.625 1.00 0.00 C ATOM 2059 CD GLU A 134 -5.971 -11.279 8.709 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -5.630 -10.291 9.393 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -7.049 -11.886 8.874 1.00 0.00 O ATOM 0 H GLU A 134 -3.178 -9.080 5.222 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.949 -11.905 5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.833 -9.998 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.262 -10.003 6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.561 -12.449 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.215 -12.329 8.082 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.275 -10.722 3.901 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.187 -11.096 2.826 1.00 0.00 C ATOM 2070 C HIS A 135 -5.418 -11.647 1.629 1.00 0.00 C ATOM 2071 O HIS A 135 -5.676 -12.760 1.172 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.025 -9.890 2.397 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.240 -9.674 3.246 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -8.390 -9.040 4.432 1.00 0.00 N flip ATOM 2075 CD2 HIS A 135 -9.492 -10.138 2.900 1.00 0.00 C flip ATOM 2076 CE1 HIS A 135 -9.716 -9.130 4.778 1.00 0.00 C flip ATOM 2077 NE2 HIS A 135 -10.359 -9.797 3.836 1.00 0.00 N flip ATOM 0 H HIS A 135 -5.282 -9.729 4.134 1.00 0.00 H new ATOM 0 HA HIS A 135 -6.850 -11.876 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.404 -8.995 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.335 -10.023 1.360 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -7.655 -8.581 4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -9.727 -10.693 2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -10.161 -8.722 5.674 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.473 -10.860 1.125 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.666 -11.269 -0.018 1.00 0.00 C ATOM 2088 C ALA A 136 -3.414 -12.773 -0.001 1.00 0.00 C ATOM 2089 O ALA A 136 -3.916 -13.506 -0.853 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.347 -10.511 -0.031 1.00 0.00 C ATOM 0 H ALA A 136 -4.247 -9.935 1.491 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.219 -11.030 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.755 -10.826 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.543 -9.441 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.797 -10.722 0.886 1.00 0.00 H new ATOM 2096 N SER A 137 -2.633 -13.227 0.974 1.00 0.00 N ATOM 2097 CA SER A 137 -2.310 -14.643 1.099 1.00 0.00 C ATOM 2098 C SER A 137 -3.577 -15.493 1.075 1.00 0.00 C ATOM 2099 O SER A 137 -3.600 -16.578 0.496 1.00 0.00 O ATOM 2100 CB SER A 137 -1.535 -14.899 2.393 1.00 0.00 C ATOM 2101 OG SER A 137 -0.659 -13.824 2.684 1.00 0.00 O ATOM 0 H SER A 137 -2.212 -12.634 1.689 1.00 0.00 H new ATOM 0 HA SER A 137 -1.688 -14.925 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.234 -15.036 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 137 -0.964 -15.823 2.302 1.00 0.00 H new ATOM 0 HG SER A 137 -1.098 -13.202 3.301 1.00 0.00 H new ATOM 2107 N GLY A 138 -4.632 -14.990 1.710 1.00 0.00 N ATOM 2108 CA GLY A 138 -5.889 -15.714 1.750 1.00 0.00 C ATOM 2109 C GLY A 138 -6.404 -16.059 0.367 1.00 0.00 C ATOM 2110 O GLY A 138 -6.791 -17.199 0.107 1.00 0.00 O ATOM 0 H GLY A 138 -4.638 -14.094 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.758 -16.631 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.634 -15.114 2.272 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.411 -15.072 -0.523 1.00 0.00 N ATOM 2115 CA TYR A 139 -6.887 -15.276 -1.886 1.00 0.00 C ATOM 2116 C TYR A 139 -6.111 -16.396 -2.572 1.00 0.00 C ATOM 2117 O TYR A 139 -6.698 -17.345 -3.093 1.00 0.00 O ATOM 2118 CB TYR A 139 -6.757 -13.982 -2.692 1.00 0.00 C ATOM 2119 CG TYR A 139 -7.768 -12.926 -2.309 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.079 -12.993 -2.764 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.413 -11.860 -1.491 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.006 -12.029 -2.417 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.333 -10.893 -1.138 1.00 0.00 C ATOM 2124 CZ TYR A 139 -9.629 -10.982 -1.603 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.549 -10.020 -1.254 1.00 0.00 O ATOM 0 H TYR A 139 -6.093 -14.123 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 139 -7.937 -15.563 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -5.754 -13.579 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -6.868 -14.211 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.379 -13.813 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.400 -11.787 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.020 -12.095 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.040 -10.071 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.233 -9.953 -1.953 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.787 -16.279 -2.568 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.929 -17.282 -3.188 1.00 0.00 C ATOM 2137 C VAL A 140 -4.406 -18.692 -2.860 1.00 0.00 C ATOM 2138 O VAL A 140 -4.396 -19.109 -1.702 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.466 -17.128 -2.731 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.597 -18.214 -3.346 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -1.939 -15.746 -3.089 1.00 0.00 C ATOM 0 H VAL A 140 -4.285 -15.500 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.985 -17.124 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.429 -17.237 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.567 -18.089 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.963 -19.192 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.637 -18.140 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -0.904 -15.654 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.989 -15.606 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.546 -14.986 -2.596 1.00 0.00 H new