USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1045 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 87 THR OG1 : rot -130:sc= -0.801! USER MOD Set 1.2: A 109 LYS NZ :NH3+ -133:sc= -2.01! (180deg=-4.24!) USER MOD Set 2.1: A 49 CYS SG : rot 130:sc= -1.64 USER MOD Set 2.2: A 107 GLN : amide:sc= -1.68 X(o=-3.3,f=-3.1) USER MOD Set 3.1: A 94 ASN : amide:sc= -0.0378 K(o=-1.6,f=-3.5!) USER MOD Set 3.2: A 102 CYS SG : rot -109:sc= -1.58 USER MOD Set 4.1: A 99 THR OG1 : rot 127:sc= 0.0292 USER MOD Set 4.2: A 101 THR OG1 : rot 180:sc= 0.0303 USER MOD Set 5.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 60 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0863) USER MOD Set 6.1: A 39 SER OG : rot -56:sc= -0.0449 USER MOD Set 6.2: A 42 ASN : amide:sc= -7.38! K(o=-16!,f=-5.6) USER MOD Set 6.3: A 82 ASN : amide:sc= -8.98! C(o=-16!,f=-8.7!) USER MOD Set 7.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 19 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0.109 USER MOD Single : A 7 GLN : amide:sc= -1.23! C(o=-1.2!,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0065) USER MOD Single : A 22 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.4!) USER MOD Single : A 23 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-20!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.404 (180deg=-1.34) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -34:sc= 0.42 USER MOD Single : A 52 TYR OH : rot 5:sc= 0.217 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= -3.24! (180deg=-3.44!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -121:sc=0.000384 (180deg=-0.0767) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.926 USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= -2.46 (180deg=-4.63!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.208 (180deg=-0.796) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.321 USER MOD Single : A 70 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.6!) USER MOD Single : A 74 SER OG : rot 10:sc= -0.726 USER MOD Single : A 76 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.63) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 70:sc= 0.64 USER MOD Single : A 92 SER OG : rot -66:sc= 0.684 USER MOD Single : A 95 MET CE :methyl -166:sc= -1.54 (180deg=-2.36) USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= -0.0578 (180deg=-0.552) USER MOD Single : A 112 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 114 MET CE :methyl -163:sc= -2.03 (180deg=-2.81) USER MOD Single : A 116 LYS NZ :NH3+ -158:sc= -0.035 (180deg=-0.429) USER MOD Single : A 118 SER OG : rot -49:sc= 0.626 USER MOD Single : A 119 TYR OH : rot -149:sc= -3.6! USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= -0.887 (180deg=-0.994) USER MOD Single : A 125 SER OG : rot -44:sc= 0.184 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -106:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -12.006 1.287 -11.814 1.00 15.43 N ATOM 18 CA SER A 6 -13.479 1.449 -11.661 1.00 14.66 C ATOM 19 C SER A 6 -13.788 2.222 -10.377 1.00 13.40 C ATOM 20 O SER A 6 -12.976 2.296 -9.474 1.00 12.58 O ATOM 21 CB SER A 6 -14.139 0.074 -11.583 1.00 15.49 C ATOM 22 OG SER A 6 -13.816 -0.527 -10.336 1.00 15.97 O ATOM 0 HA SER A 6 -13.866 1.998 -12.519 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.220 0.169 -11.686 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.795 -0.555 -12.404 1.00 15.49 H new ATOM 0 HG SER A 6 -14.238 -1.410 -10.279 1.00 15.97 H new ATOM 28 N GLN A 7 -14.960 2.791 -10.287 1.00 13.37 N ATOM 29 CA GLN A 7 -15.334 3.555 -9.062 1.00 12.23 C ATOM 30 C GLN A 7 -15.505 2.579 -7.897 1.00 11.36 C ATOM 31 O GLN A 7 -15.365 2.931 -6.745 1.00 10.97 O ATOM 32 CB GLN A 7 -16.645 4.305 -9.302 1.00 13.19 C ATOM 33 CG GLN A 7 -16.392 5.475 -10.256 1.00 13.36 C ATOM 34 CD GLN A 7 -15.906 4.943 -11.606 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.451 3.991 -12.130 1.00 13.82 O ATOM 36 NE2 GLN A 7 -14.901 5.527 -12.197 1.00 13.77 N ATOM 0 H GLN A 7 -15.677 2.759 -11.012 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.550 4.275 -8.826 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.391 3.631 -9.724 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -17.046 4.672 -8.357 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -17.307 6.052 -10.390 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.649 6.149 -9.831 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -14.444 6.326 -11.757 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.572 5.185 -13.100 1.00 13.77 H new ATOM 45 N GLU A 8 -15.820 1.352 -8.187 1.00 13.01 N ATOM 46 CA GLU A 8 -16.000 0.358 -7.095 1.00 12.24 C ATOM 47 C GLU A 8 -14.648 0.051 -6.444 1.00 11.73 C ATOM 48 O GLU A 8 -14.550 -0.112 -5.247 1.00 11.71 O ATOM 49 CB GLU A 8 -16.579 -0.935 -7.671 1.00 13.27 C ATOM 50 CG GLU A 8 -17.950 -0.657 -8.292 1.00 13.55 C ATOM 51 CD GLU A 8 -18.525 -1.953 -8.863 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.799 -2.934 -8.898 1.00 15.06 O ATOM 53 OE2 GLU A 8 -19.681 -1.946 -9.251 1.00 14.92 O ATOM 0 H GLU A 8 -15.961 0.993 -9.131 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.680 0.769 -6.349 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.904 -1.343 -8.424 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.671 -1.685 -6.885 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.625 -0.248 -7.540 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.859 0.091 -9.080 1.00 13.55 H new ATOM 60 N GLU A 9 -13.612 -0.059 -7.227 1.00 11.46 N ATOM 61 CA GLU A 9 -12.277 -0.397 -6.651 1.00 11.12 C ATOM 62 C GLU A 9 -11.719 0.771 -5.827 1.00 10.28 C ATOM 63 O GLU A 9 -11.194 0.571 -4.749 1.00 10.32 O ATOM 64 CB GLU A 9 -11.319 -0.727 -7.795 1.00 12.40 C ATOM 65 CG GLU A 9 -11.724 -2.061 -8.427 1.00 13.24 C ATOM 66 CD GLU A 9 -10.930 -2.275 -9.718 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.135 -1.411 -10.054 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.134 -3.298 -10.351 1.00 14.68 O ATOM 0 H GLU A 9 -13.629 0.070 -8.239 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.384 -1.255 -5.987 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.342 0.065 -8.544 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.296 -0.784 -7.423 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.534 -2.878 -7.731 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.793 -2.065 -8.640 1.00 13.24 H new ATOM 75 N VAL A 10 -11.823 1.983 -6.304 1.00 9.75 N ATOM 76 CA VAL A 10 -11.287 3.130 -5.508 1.00 9.10 C ATOM 77 C VAL A 10 -12.099 3.271 -4.218 1.00 7.91 C ATOM 78 O VAL A 10 -11.568 3.572 -3.171 1.00 7.70 O ATOM 79 CB VAL A 10 -11.367 4.429 -6.309 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.618 4.268 -7.634 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.828 4.756 -6.587 1.00 11.17 C ATOM 0 H VAL A 10 -12.249 2.229 -7.198 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.241 2.935 -5.271 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.911 5.237 -5.737 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.678 5.197 -8.201 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.573 4.032 -7.435 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.069 3.461 -8.211 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.891 5.682 -7.158 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.280 3.945 -7.159 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.360 4.875 -5.643 1.00 11.17 H new ATOM 91 N LYS A 11 -13.382 3.047 -4.273 1.00 7.38 N ATOM 92 CA LYS A 11 -14.194 3.163 -3.032 1.00 6.32 C ATOM 93 C LYS A 11 -13.637 2.184 -2.007 1.00 5.68 C ATOM 94 O LYS A 11 -13.526 2.487 -0.835 1.00 5.93 O ATOM 95 CB LYS A 11 -15.657 2.840 -3.328 1.00 8.26 C ATOM 96 CG LYS A 11 -16.295 4.034 -4.045 1.00 8.64 C ATOM 97 CD LYS A 11 -17.701 3.667 -4.519 1.00 9.23 C ATOM 98 CE LYS A 11 -18.673 3.624 -3.332 1.00 9.91 C ATOM 99 NZ LYS A 11 -20.076 3.604 -3.839 1.00 10.51 N ATOM 0 H LYS A 11 -13.899 2.791 -5.115 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.143 4.181 -2.645 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.727 1.947 -3.948 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.191 2.628 -2.402 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.341 4.891 -3.373 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.681 4.329 -4.896 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -18.046 4.395 -5.253 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -17.682 2.697 -5.017 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.482 2.740 -2.724 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.519 4.492 -2.690 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -20.735 3.575 -3.035 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -20.254 4.460 -4.402 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -20.218 2.763 -4.434 1.00 10.51 H new ATOM 113 N LYS A 12 -13.266 1.017 -2.447 1.00 5.08 N ATOM 114 CA LYS A 12 -12.688 0.019 -1.511 1.00 4.72 C ATOM 115 C LYS A 12 -11.384 0.580 -0.958 1.00 4.34 C ATOM 116 O LYS A 12 -11.052 0.388 0.194 1.00 4.65 O ATOM 117 CB LYS A 12 -12.399 -1.284 -2.255 1.00 6.91 C ATOM 118 CG LYS A 12 -13.714 -1.967 -2.629 1.00 7.86 C ATOM 119 CD LYS A 12 -13.411 -3.266 -3.375 1.00 8.86 C ATOM 120 CE LYS A 12 -14.720 -3.963 -3.758 1.00 9.89 C ATOM 121 NZ LYS A 12 -15.272 -4.672 -2.568 1.00 10.82 N ATOM 0 H LYS A 12 -13.339 0.711 -3.417 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.391 -0.182 -0.703 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.816 -1.079 -3.153 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.800 -1.946 -1.630 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.297 -2.176 -1.732 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.316 -1.307 -3.254 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.826 -3.054 -4.270 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.808 -3.924 -2.749 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -15.440 -3.232 -4.125 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.544 -4.671 -4.568 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.751 -5.543 -2.874 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -14.497 -4.913 -1.917 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -15.954 -4.055 -2.082 1.00 10.82 H new ATOM 135 N TRP A 13 -10.637 1.282 -1.772 1.00 4.15 N ATOM 136 CA TRP A 13 -9.360 1.855 -1.278 1.00 3.58 C ATOM 137 C TRP A 13 -9.665 2.750 -0.085 1.00 2.38 C ATOM 138 O TRP A 13 -8.853 2.926 0.783 1.00 2.83 O ATOM 139 CB TRP A 13 -8.684 2.699 -2.361 1.00 4.70 C ATOM 140 CG TRP A 13 -8.369 1.865 -3.571 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.594 0.533 -3.698 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.772 2.295 -4.828 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.168 0.126 -4.949 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.653 1.175 -5.683 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.321 3.540 -5.302 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -7.108 1.284 -6.963 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.773 3.655 -6.588 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.665 2.529 -7.417 1.00 6.26 C ATOM 0 H TRP A 13 -10.858 1.479 -2.748 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.691 1.041 -1.000 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.336 3.526 -2.644 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.767 3.137 -1.967 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -9.034 -0.105 -2.945 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.227 -0.834 -5.288 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.397 4.413 -4.671 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -7.029 0.413 -7.597 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.432 4.617 -6.942 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.240 2.624 -8.405 1.00 6.26 H new ATOM 159 N ALA A 14 -10.832 3.318 -0.032 1.00 0.01 N ATOM 160 CA ALA A 14 -11.170 4.194 1.124 1.00 0.01 C ATOM 161 C ALA A 14 -11.678 3.328 2.279 1.00 0.01 C ATOM 162 O ALA A 14 -11.905 3.805 3.373 1.00 0.01 O ATOM 163 CB ALA A 14 -12.261 5.185 0.713 1.00 0.00 C ATOM 0 H ALA A 14 -11.565 3.216 -0.734 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.283 4.743 1.439 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.508 5.826 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.903 5.798 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.150 4.638 0.400 1.00 0.00 H new ATOM 169 N GLU A 15 -11.879 2.055 2.036 1.00 0.01 N ATOM 170 CA GLU A 15 -12.397 1.147 3.110 1.00 0.01 C ATOM 171 C GLU A 15 -11.245 0.472 3.870 1.00 0.01 C ATOM 172 O GLU A 15 -11.366 0.178 5.043 1.00 0.01 O ATOM 173 CB GLU A 15 -13.281 0.069 2.474 1.00 0.01 C ATOM 174 CG GLU A 15 -14.561 0.710 1.936 1.00 0.01 C ATOM 175 CD GLU A 15 -15.429 1.174 3.106 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.261 0.642 4.191 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.248 2.055 2.899 1.00 0.01 O ATOM 0 H GLU A 15 -11.706 1.604 1.138 1.00 0.01 H new ATOM 0 HA GLU A 15 -12.973 1.743 3.817 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.743 -0.427 1.666 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.527 -0.696 3.211 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.315 1.556 1.294 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.109 -0.006 1.324 1.00 0.01 H new ATOM 184 N SER A 16 -10.135 0.210 3.229 1.00 0.01 N ATOM 185 CA SER A 16 -9.013 -0.458 3.958 1.00 0.01 C ATOM 186 C SER A 16 -7.735 -0.456 3.112 1.00 0.00 C ATOM 187 O SER A 16 -7.771 -0.566 1.903 1.00 0.00 O ATOM 188 CB SER A 16 -9.398 -1.904 4.276 1.00 0.01 C ATOM 189 OG SER A 16 -9.551 -2.627 3.061 1.00 0.01 O ATOM 0 H SER A 16 -9.957 0.425 2.248 1.00 0.01 H new ATOM 0 HA SER A 16 -8.827 0.093 4.880 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.631 -2.369 4.895 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.326 -1.928 4.847 1.00 0.01 H new ATOM 0 HG SER A 16 -9.796 -3.555 3.261 1.00 0.01 H new ATOM 195 N LEU A 17 -6.606 -0.346 3.760 1.00 0.00 N ATOM 196 CA LEU A 17 -5.297 -0.341 3.038 1.00 0.00 C ATOM 197 C LEU A 17 -5.122 -1.643 2.257 1.00 0.01 C ATOM 198 O LEU A 17 -4.600 -1.654 1.161 1.00 0.00 O ATOM 199 CB LEU A 17 -4.167 -0.196 4.063 1.00 0.01 C ATOM 200 CG LEU A 17 -2.798 -0.201 3.368 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.662 1.004 2.430 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.709 -0.127 4.432 1.00 0.00 C ATOM 0 H LEU A 17 -6.533 -0.258 4.774 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.271 0.492 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.293 0.731 4.622 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.217 -1.012 4.784 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.702 -1.114 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.685 0.981 1.948 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.443 0.964 1.670 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.762 1.925 3.004 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.730 -0.130 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.827 0.789 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.790 -0.988 5.096 1.00 0.00 H new ATOM 214 N GLU A 18 -5.532 -2.739 2.821 1.00 0.01 N ATOM 215 CA GLU A 18 -5.366 -4.039 2.122 1.00 0.00 C ATOM 216 C GLU A 18 -5.876 -3.934 0.683 1.00 0.00 C ATOM 217 O GLU A 18 -5.195 -4.308 -0.246 1.00 0.01 O ATOM 218 CB GLU A 18 -6.174 -5.105 2.864 1.00 0.01 C ATOM 219 CG GLU A 18 -5.504 -5.415 4.204 1.00 0.01 C ATOM 220 CD GLU A 18 -6.350 -6.440 4.963 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.322 -6.037 5.579 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.011 -7.611 4.911 1.00 0.01 O ATOM 0 H GLU A 18 -5.976 -2.792 3.738 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.310 -4.307 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.193 -4.755 3.028 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.241 -6.011 2.261 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.499 -5.804 4.041 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.401 -4.503 4.792 1.00 0.01 H new ATOM 229 N ASN A 19 -7.057 -3.433 0.487 1.00 0.01 N ATOM 230 CA ASN A 19 -7.589 -3.324 -0.901 1.00 0.00 C ATOM 231 C ASN A 19 -6.683 -2.434 -1.763 1.00 0.00 C ATOM 232 O ASN A 19 -6.347 -2.773 -2.881 1.00 0.01 O ATOM 233 CB ASN A 19 -8.987 -2.713 -0.852 1.00 0.01 C ATOM 234 CG ASN A 19 -9.965 -3.715 -0.236 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.762 -4.910 -0.318 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.027 -3.276 0.380 1.00 0.01 N ATOM 0 H ASN A 19 -7.678 -3.094 1.222 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.623 -4.320 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.973 -1.795 -0.264 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.312 -2.443 -1.857 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.687 -3.936 0.793 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.198 -2.273 0.449 1.00 0.01 H new ATOM 243 N LEU A 20 -6.294 -1.293 -1.262 1.00 0.00 N ATOM 244 CA LEU A 20 -5.424 -0.383 -2.064 1.00 0.01 C ATOM 245 C LEU A 20 -4.111 -1.086 -2.420 1.00 0.01 C ATOM 246 O LEU A 20 -3.687 -1.084 -3.555 1.00 0.00 O ATOM 247 CB LEU A 20 -5.131 0.884 -1.245 1.00 0.00 C ATOM 248 CG LEU A 20 -4.175 1.828 -2.000 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.817 2.294 -3.308 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.893 3.052 -1.124 1.00 0.01 C ATOM 0 H LEU A 20 -6.540 -0.951 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.937 -0.114 -2.987 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.064 1.404 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.691 0.607 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.250 1.297 -2.224 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.132 2.960 -3.832 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.034 1.429 -3.935 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.744 2.825 -3.090 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -3.217 3.727 -1.649 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.828 3.569 -0.910 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.433 2.732 -0.189 1.00 0.01 H new ATOM 262 N ILE A 21 -3.452 -1.668 -1.458 1.00 0.01 N ATOM 263 CA ILE A 21 -2.154 -2.344 -1.751 1.00 0.00 C ATOM 264 C ILE A 21 -2.396 -3.733 -2.371 1.00 0.00 C ATOM 265 O ILE A 21 -1.520 -4.294 -2.989 1.00 0.00 O ATOM 266 CB ILE A 21 -1.336 -2.458 -0.451 1.00 0.00 C ATOM 267 CG1 ILE A 21 0.140 -2.676 -0.787 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.832 -3.631 0.389 1.00 0.00 C ATOM 269 CD1 ILE A 21 0.954 -2.714 0.505 1.00 0.01 C ATOM 0 H ILE A 21 -3.753 -1.706 -0.484 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.593 -1.752 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.456 -1.534 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.265 -3.609 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.500 -1.875 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.244 -3.698 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.881 -3.479 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.726 -4.555 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.006 -2.869 0.268 1.00 0.01 H new ATOM 0 HD12 ILE A 21 0.837 -1.769 1.036 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.600 -3.530 1.134 1.00 0.01 H new ATOM 281 N ASN A 22 -3.566 -4.307 -2.211 1.00 0.00 N ATOM 282 CA ASN A 22 -3.816 -5.663 -2.807 1.00 0.01 C ATOM 283 C ASN A 22 -4.432 -5.522 -4.200 1.00 0.01 C ATOM 284 O ASN A 22 -4.674 -6.500 -4.878 1.00 0.01 O ATOM 285 CB ASN A 22 -4.774 -6.467 -1.924 1.00 0.01 C ATOM 286 CG ASN A 22 -4.141 -6.682 -0.549 1.00 0.01 C ATOM 287 OD1 ASN A 22 -4.829 -6.710 0.452 1.00 0.01 O ATOM 288 ND2 ASN A 22 -2.849 -6.838 -0.458 1.00 0.01 N ATOM 0 H ASN A 22 -4.351 -3.903 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.861 -6.183 -2.877 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.721 -5.938 -1.821 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -4.994 -7.428 -2.389 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -2.416 -6.984 0.454 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.272 -6.814 -1.299 1.00 0.01 H new ATOM 295 N HIS A 23 -4.686 -4.319 -4.641 1.00 0.01 N ATOM 296 CA HIS A 23 -5.285 -4.129 -5.997 1.00 0.01 C ATOM 297 C HIS A 23 -4.154 -3.955 -7.014 1.00 0.01 C ATOM 298 O HIS A 23 -3.150 -3.327 -6.741 1.00 0.01 O ATOM 299 CB HIS A 23 -6.179 -2.887 -5.985 1.00 0.00 C ATOM 300 CG HIS A 23 -6.943 -2.793 -7.275 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.459 -2.105 -8.378 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.169 -3.282 -7.650 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.381 -2.200 -9.352 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.444 -2.908 -8.961 1.00 0.01 N ATOM 0 H HIS A 23 -4.505 -3.459 -4.122 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.888 -4.995 -6.269 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.872 -2.935 -5.145 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.572 -1.993 -5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.822 -3.869 -7.022 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.275 -1.758 -10.332 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -9.278 -3.127 -9.506 1.00 0.01 H new ATOM 312 N GLU A 24 -4.298 -4.533 -8.174 1.00 0.01 N ATOM 313 CA GLU A 24 -3.222 -4.437 -9.201 1.00 0.01 C ATOM 314 C GLU A 24 -2.968 -2.970 -9.565 1.00 0.01 C ATOM 315 O GLU A 24 -1.836 -2.552 -9.738 1.00 0.01 O ATOM 316 CB GLU A 24 -3.658 -5.213 -10.448 1.00 0.01 C ATOM 317 CG GLU A 24 -2.532 -5.236 -11.488 1.00 0.01 C ATOM 318 CD GLU A 24 -1.362 -6.068 -10.959 1.00 0.01 C ATOM 319 OE1 GLU A 24 -1.549 -6.753 -9.967 1.00 0.01 O ATOM 320 OE2 GLU A 24 -0.302 -6.011 -11.559 1.00 0.00 O ATOM 0 H GLU A 24 -5.118 -5.070 -8.456 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.300 -4.861 -8.803 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.928 -6.233 -10.173 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.548 -4.753 -10.877 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.897 -5.657 -12.425 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -2.201 -4.220 -11.703 1.00 0.01 H new ATOM 327 N CYS A 25 -3.999 -2.175 -9.679 1.00 0.01 N ATOM 328 CA CYS A 25 -3.777 -0.743 -10.030 1.00 0.01 C ATOM 329 C CYS A 25 -3.480 0.028 -8.751 1.00 0.01 C ATOM 330 O CYS A 25 -2.707 0.964 -8.746 1.00 0.00 O ATOM 331 CB CYS A 25 -5.019 -0.164 -10.709 1.00 0.01 C ATOM 332 SG CYS A 25 -4.562 1.368 -11.562 1.00 0.00 S ATOM 0 H CYS A 25 -4.972 -2.450 -9.546 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.938 -0.660 -10.721 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.430 -0.882 -11.419 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.795 0.033 -9.970 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.610 1.869 -12.145 1.00 0.00 H new ATOM 338 N GLY A 26 -4.062 -0.377 -7.658 1.00 0.01 N ATOM 339 CA GLY A 26 -3.771 0.320 -6.382 1.00 0.01 C ATOM 340 C GLY A 26 -2.280 0.171 -6.111 1.00 0.01 C ATOM 341 O GLY A 26 -1.614 1.098 -5.707 1.00 0.01 O ATOM 0 H GLY A 26 -4.720 -1.154 -7.595 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.046 1.373 -6.449 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.354 -0.111 -5.568 1.00 0.01 H new ATOM 345 N LEU A 27 -1.749 -0.997 -6.356 1.00 0.01 N ATOM 346 CA LEU A 27 -0.294 -1.209 -6.145 1.00 0.00 C ATOM 347 C LEU A 27 0.470 -0.236 -7.042 1.00 0.00 C ATOM 348 O LEU A 27 1.287 0.535 -6.590 1.00 0.00 O ATOM 349 CB LEU A 27 0.078 -2.643 -6.543 1.00 0.00 C ATOM 350 CG LEU A 27 -0.325 -3.622 -5.435 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.278 -5.054 -5.986 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.634 -3.493 -4.228 1.00 0.01 C ATOM 0 H LEU A 27 -2.263 -1.811 -6.693 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.043 -1.044 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.421 -2.911 -7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.150 -2.711 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.336 -3.389 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.564 -5.755 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.970 -5.144 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.733 -5.281 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.335 -4.195 -3.449 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.652 -3.717 -4.547 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.592 -2.477 -3.837 1.00 0.01 H new ATOM 364 N ALA A 28 0.201 -0.264 -8.320 1.00 0.00 N ATOM 365 CA ALA A 28 0.917 0.658 -9.242 1.00 0.00 C ATOM 366 C ALA A 28 0.645 2.104 -8.835 1.00 0.01 C ATOM 367 O ALA A 28 1.545 2.920 -8.778 1.00 0.00 O ATOM 368 CB ALA A 28 0.426 0.428 -10.674 1.00 0.00 C ATOM 0 H ALA A 28 -0.480 -0.882 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 28 1.988 0.464 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.950 1.103 -11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.624 -0.604 -10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.646 0.621 -10.727 1.00 0.00 H new ATOM 374 N ALA A 29 -0.582 2.429 -8.549 1.00 0.00 N ATOM 375 CA ALA A 29 -0.902 3.825 -8.144 1.00 0.01 C ATOM 376 C ALA A 29 -0.311 4.105 -6.763 1.00 0.00 C ATOM 377 O ALA A 29 0.215 5.170 -6.507 1.00 0.00 O ATOM 378 CB ALA A 29 -2.419 4.003 -8.089 1.00 0.01 C ATOM 0 H ALA A 29 -1.377 1.790 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.477 4.519 -8.870 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.655 5.025 -7.792 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.845 3.803 -9.072 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.841 3.308 -7.363 1.00 0.01 H new ATOM 384 N PHE A 30 -0.404 3.159 -5.866 1.00 0.00 N ATOM 385 CA PHE A 30 0.144 3.385 -4.504 1.00 0.00 C ATOM 386 C PHE A 30 1.670 3.451 -4.554 1.00 0.00 C ATOM 387 O PHE A 30 2.278 4.282 -3.914 1.00 0.00 O ATOM 388 CB PHE A 30 -0.295 2.265 -3.558 1.00 0.00 C ATOM 389 CG PHE A 30 0.142 2.628 -2.166 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.429 3.735 -1.532 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.129 1.881 -1.519 1.00 0.00 C ATOM 392 CE1 PHE A 30 -0.013 4.100 -0.252 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.543 2.240 -0.238 1.00 0.00 C ATOM 394 CZ PHE A 30 0.973 3.355 0.398 1.00 0.00 C ATOM 0 H PHE A 30 -0.833 2.247 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.243 4.333 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.377 2.138 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.148 1.316 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.194 4.309 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.570 1.027 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.453 4.957 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.302 1.661 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.297 3.636 1.389 1.00 0.00 H new ATOM 404 N LYS A 31 2.296 2.604 -5.319 1.00 0.00 N ATOM 405 CA LYS A 31 3.782 2.655 -5.407 1.00 0.00 C ATOM 406 C LYS A 31 4.184 4.032 -5.924 1.00 0.00 C ATOM 407 O LYS A 31 5.143 4.625 -5.471 1.00 0.00 O ATOM 408 CB LYS A 31 4.287 1.569 -6.358 1.00 0.00 C ATOM 409 CG LYS A 31 4.188 0.204 -5.674 1.00 0.00 C ATOM 410 CD LYS A 31 4.638 -0.884 -6.648 1.00 0.00 C ATOM 411 CE LYS A 31 4.538 -2.246 -5.964 1.00 0.01 C ATOM 412 NZ LYS A 31 4.708 -3.325 -6.978 1.00 0.00 N ATOM 0 H LYS A 31 1.848 1.883 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 31 4.222 2.482 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.698 1.571 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.320 1.771 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.810 0.187 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.163 0.019 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.016 -0.867 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.663 -0.700 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.302 -2.334 -5.192 1.00 0.01 H new ATOM 0 HE3 LYS A 31 3.572 -2.346 -5.469 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.640 -4.253 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.963 -3.244 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.640 -3.232 -7.431 1.00 0.00 H new ATOM 426 N ALA A 32 3.439 4.554 -6.858 1.00 0.00 N ATOM 427 CA ALA A 32 3.761 5.901 -7.389 1.00 0.00 C ATOM 428 C ALA A 32 3.664 6.904 -6.236 1.00 0.01 C ATOM 429 O ALA A 32 4.539 7.719 -6.026 1.00 0.00 O ATOM 430 CB ALA A 32 2.745 6.271 -8.476 1.00 0.00 C ATOM 0 H ALA A 32 2.623 4.105 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 32 4.764 5.914 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.977 7.261 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.792 5.539 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.742 6.277 -8.050 1.00 0.00 H new ATOM 436 N PHE A 33 2.601 6.834 -5.486 1.00 0.00 N ATOM 437 CA PHE A 33 2.416 7.759 -4.331 1.00 0.00 C ATOM 438 C PHE A 33 3.532 7.589 -3.292 1.00 0.00 C ATOM 439 O PHE A 33 3.981 8.545 -2.697 1.00 0.00 O ATOM 440 CB PHE A 33 1.065 7.495 -3.678 1.00 0.00 C ATOM 441 CG PHE A 33 0.901 8.415 -2.499 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.320 9.675 -2.671 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.339 8.010 -1.234 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.177 10.533 -1.576 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.195 8.865 -0.138 1.00 0.00 C ATOM 446 CZ PHE A 33 0.616 10.126 -0.308 1.00 0.00 C ATOM 0 H PHE A 33 1.842 6.167 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 33 2.456 8.782 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.262 7.658 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.999 6.456 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.018 9.985 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.788 7.037 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.271 11.507 -1.707 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.531 8.552 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.507 10.788 0.539 1.00 0.00 H new ATOM 456 N LEU A 34 3.962 6.386 -3.038 1.00 0.00 N ATOM 457 CA LEU A 34 5.021 6.193 -2.002 1.00 0.00 C ATOM 458 C LEU A 34 6.271 6.970 -2.407 1.00 0.00 C ATOM 459 O LEU A 34 6.924 7.584 -1.586 1.00 0.00 O ATOM 460 CB LEU A 34 5.376 4.706 -1.885 1.00 0.00 C ATOM 461 CG LEU A 34 4.204 3.919 -1.267 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.506 2.397 -1.314 1.00 0.00 C ATOM 463 CD2 LEU A 34 3.962 4.378 0.190 1.00 0.00 C ATOM 0 H LEU A 34 3.633 5.535 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 34 4.650 6.554 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.613 4.304 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.267 4.586 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 34 3.301 4.115 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.673 1.847 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.642 2.085 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.415 2.189 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.132 3.815 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.861 4.202 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.723 5.441 0.202 1.00 0.00 H new ATOM 475 N LYS A 35 6.604 6.965 -3.664 1.00 0.00 N ATOM 476 CA LYS A 35 7.805 7.720 -4.107 1.00 0.00 C ATOM 477 C LYS A 35 7.621 9.204 -3.768 1.00 0.01 C ATOM 478 O LYS A 35 8.565 9.899 -3.447 1.00 0.00 O ATOM 479 CB LYS A 35 7.996 7.545 -5.613 1.00 0.00 C ATOM 480 CG LYS A 35 8.429 6.099 -5.896 1.00 0.00 C ATOM 481 CD LYS A 35 8.795 5.930 -7.378 1.00 0.00 C ATOM 482 CE LYS A 35 7.529 5.767 -8.229 1.00 0.00 C ATOM 483 NZ LYS A 35 6.772 4.564 -7.777 1.00 0.01 N ATOM 0 H LYS A 35 6.099 6.473 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 35 8.689 7.340 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.068 7.770 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.749 8.242 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.284 5.840 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.623 5.413 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.361 6.796 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.439 5.059 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.904 6.656 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.796 5.666 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.151 4.236 -8.544 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.440 3.808 -7.525 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 6.196 4.808 -6.946 1.00 0.01 H new ATOM 497 N SER A 36 6.411 9.697 -3.835 1.00 0.00 N ATOM 498 CA SER A 36 6.175 11.132 -3.515 1.00 0.00 C ATOM 499 C SER A 36 6.613 11.401 -2.075 1.00 0.00 C ATOM 500 O SER A 36 7.158 12.442 -1.762 1.00 0.00 O ATOM 501 CB SER A 36 4.689 11.462 -3.669 1.00 0.00 C ATOM 502 OG SER A 36 4.287 11.203 -5.008 1.00 0.00 O ATOM 0 H SER A 36 5.580 9.167 -4.097 1.00 0.00 H new ATOM 0 HA SER A 36 6.750 11.757 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.098 10.862 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.509 12.507 -3.419 1.00 0.00 H new ATOM 0 HG SER A 36 3.335 11.412 -5.110 1.00 0.00 H new ATOM 508 N GLU A 37 6.385 10.463 -1.193 1.00 0.00 N ATOM 509 CA GLU A 37 6.788 10.646 0.236 1.00 0.00 C ATOM 510 C GLU A 37 8.103 9.904 0.471 1.00 0.00 C ATOM 511 O GLU A 37 8.557 9.757 1.588 1.00 0.00 O ATOM 512 CB GLU A 37 5.709 10.061 1.151 1.00 0.00 C ATOM 513 CG GLU A 37 4.417 10.861 0.997 1.00 0.00 C ATOM 514 CD GLU A 37 3.343 10.276 1.913 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.573 9.205 2.450 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.307 10.902 2.056 1.00 0.00 O ATOM 0 H GLU A 37 5.934 9.572 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 37 6.910 11.707 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.533 9.015 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.044 10.088 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.593 11.907 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.081 10.833 -0.039 1.00 0.00 H new ATOM 523 N TYR A 38 8.721 9.452 -0.587 1.00 0.00 N ATOM 524 CA TYR A 38 10.019 8.732 -0.461 1.00 0.00 C ATOM 525 C TYR A 38 9.863 7.543 0.481 1.00 0.00 C ATOM 526 O TYR A 38 10.765 7.195 1.217 1.00 0.00 O ATOM 527 CB TYR A 38 11.073 9.697 0.074 1.00 0.00 C ATOM 528 CG TYR A 38 11.098 10.918 -0.807 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.785 10.891 -2.025 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.422 12.078 -0.411 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.799 12.022 -2.847 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.433 13.208 -1.231 1.00 0.00 C ATOM 533 CZ TYR A 38 11.122 13.181 -2.449 1.00 0.01 C ATOM 534 OH TYR A 38 11.127 14.297 -3.258 1.00 0.00 O ATOM 0 H TYR A 38 8.378 9.552 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 38 10.331 8.361 -1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.843 9.977 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.052 9.219 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.305 9.995 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.892 12.099 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.331 12.002 -3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.910 14.102 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 38 10.609 15.012 -2.833 1.00 0.00 H new ATOM 544 N SER A 39 8.722 6.910 0.450 1.00 0.00 N ATOM 545 CA SER A 39 8.477 5.725 1.325 1.00 0.00 C ATOM 546 C SER A 39 8.589 4.459 0.466 1.00 0.00 C ATOM 547 O SER A 39 7.895 3.487 0.667 1.00 0.00 O ATOM 548 CB SER A 39 7.075 5.839 1.933 1.00 0.00 C ATOM 549 OG SER A 39 6.580 4.546 2.249 1.00 0.00 O ATOM 0 H SER A 39 7.939 7.166 -0.151 1.00 0.00 H new ATOM 0 HA SER A 39 9.208 5.679 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.108 6.455 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.404 6.334 1.231 1.00 0.00 H new ATOM 0 HG SER A 39 6.589 3.987 1.444 1.00 0.00 H new ATOM 555 N GLU A 40 9.462 4.473 -0.505 1.00 0.00 N ATOM 556 CA GLU A 40 9.617 3.277 -1.383 1.00 0.00 C ATOM 557 C GLU A 40 10.241 2.126 -0.593 1.00 0.00 C ATOM 558 O GLU A 40 9.928 0.974 -0.804 1.00 0.00 O ATOM 559 CB GLU A 40 10.520 3.616 -2.565 1.00 0.00 C ATOM 560 CG GLU A 40 11.892 4.056 -2.051 1.00 0.00 C ATOM 561 CD GLU A 40 12.729 4.582 -3.218 1.00 0.00 C ATOM 562 OE1 GLU A 40 12.634 4.013 -4.293 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.448 5.547 -3.018 1.00 0.00 O ATOM 0 H GLU A 40 10.073 5.259 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 40 8.633 2.979 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.625 2.748 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.072 4.410 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.777 4.831 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.400 3.217 -1.574 1.00 0.00 H new ATOM 570 N GLU A 41 11.122 2.418 0.318 1.00 0.00 N ATOM 571 CA GLU A 41 11.742 1.321 1.107 1.00 0.00 C ATOM 572 C GLU A 41 10.646 0.614 1.908 1.00 0.00 C ATOM 573 O GLU A 41 10.725 -0.569 2.177 1.00 0.00 O ATOM 574 CB GLU A 41 12.816 1.888 2.047 1.00 0.00 C ATOM 575 CG GLU A 41 12.251 3.056 2.864 1.00 0.00 C ATOM 576 CD GLU A 41 12.261 4.333 2.020 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.307 4.952 1.928 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.221 4.669 1.478 1.00 0.00 O ATOM 0 H GLU A 41 11.438 3.360 0.550 1.00 0.00 H new ATOM 0 HA GLU A 41 12.222 0.607 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.171 1.105 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.675 2.224 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.234 2.829 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.845 3.201 3.766 1.00 0.00 H new ATOM 585 N ASN A 42 9.620 1.330 2.289 1.00 0.00 N ATOM 586 CA ASN A 42 8.520 0.696 3.067 1.00 0.00 C ATOM 587 C ASN A 42 7.872 -0.425 2.250 1.00 0.00 C ATOM 588 O ASN A 42 7.612 -1.497 2.762 1.00 0.00 O ATOM 589 CB ASN A 42 7.457 1.741 3.410 1.00 0.00 C ATOM 590 CG ASN A 42 8.016 2.727 4.435 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.610 2.328 5.419 1.00 0.00 O ATOM 592 ND2 ASN A 42 7.849 4.006 4.248 1.00 0.00 N ATOM 0 H ASN A 42 9.498 2.324 2.095 1.00 0.00 H new ATOM 0 HA ASN A 42 8.938 0.281 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.152 2.273 2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.568 1.252 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.216 4.673 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.351 4.340 3.423 1.00 0.00 H new ATOM 599 N ILE A 43 7.598 -0.201 0.987 1.00 0.00 N ATOM 600 CA ILE A 43 6.959 -1.285 0.184 1.00 0.00 C ATOM 601 C ILE A 43 7.977 -2.409 -0.041 1.00 0.00 C ATOM 602 O ILE A 43 7.646 -3.576 0.047 1.00 0.00 O ATOM 603 CB ILE A 43 6.392 -0.727 -1.146 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.630 -1.832 -1.912 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.501 -0.150 -2.034 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.209 -1.997 -1.346 1.00 0.00 C ATOM 0 H ILE A 43 7.785 0.668 0.487 1.00 0.00 H new ATOM 0 HA ILE A 43 6.110 -1.698 0.730 1.00 0.00 H new ATOM 0 HB ILE A 43 5.704 0.080 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.579 -1.580 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.171 -2.775 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.066 0.232 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.004 0.661 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.223 -0.932 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.686 -2.779 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.267 -2.272 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.666 -1.057 -1.447 1.00 0.00 H new ATOM 618 N ASP A 44 9.215 -2.083 -0.297 1.00 0.00 N ATOM 619 CA ASP A 44 10.225 -3.159 -0.482 1.00 0.00 C ATOM 620 C ASP A 44 10.301 -3.933 0.830 1.00 0.00 C ATOM 621 O ASP A 44 10.372 -5.143 0.855 1.00 0.00 O ATOM 622 CB ASP A 44 11.587 -2.544 -0.807 1.00 0.00 C ATOM 623 CG ASP A 44 11.549 -1.937 -2.212 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.724 -2.368 -3.001 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.341 -1.048 -2.472 1.00 0.00 O ATOM 0 H ASP A 44 9.566 -1.129 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 44 9.947 -3.818 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.836 -1.777 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.365 -3.305 -0.749 1.00 0.00 H new ATOM 630 N PHE A 45 10.248 -3.222 1.922 1.00 0.00 N ATOM 631 CA PHE A 45 10.272 -3.878 3.254 1.00 0.00 C ATOM 632 C PHE A 45 8.991 -4.696 3.410 1.00 0.00 C ATOM 633 O PHE A 45 8.996 -5.798 3.923 1.00 0.00 O ATOM 634 CB PHE A 45 10.339 -2.790 4.333 1.00 0.00 C ATOM 635 CG PHE A 45 10.155 -3.392 5.704 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.260 -3.892 6.405 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.880 -3.440 6.282 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.090 -4.442 7.680 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.710 -3.988 7.559 1.00 0.00 C ATOM 640 CZ PHE A 45 9.815 -4.490 8.257 1.00 0.00 C ATOM 0 H PHE A 45 10.189 -2.204 1.946 1.00 0.00 H new ATOM 0 HA PHE A 45 11.137 -4.535 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.299 -2.277 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.567 -2.042 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.244 -3.853 5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.028 -3.054 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.942 -4.829 8.219 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.727 -4.023 8.005 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.684 -4.915 9.241 1.00 0.00 H new ATOM 650 N TRP A 46 7.892 -4.158 2.954 1.00 0.00 N ATOM 651 CA TRP A 46 6.598 -4.885 3.051 1.00 0.00 C ATOM 652 C TRP A 46 6.703 -6.203 2.284 1.00 0.00 C ATOM 653 O TRP A 46 6.293 -7.244 2.758 1.00 0.00 O ATOM 654 CB TRP A 46 5.489 -4.026 2.445 1.00 0.00 C ATOM 655 CG TRP A 46 4.168 -4.693 2.653 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.642 -5.002 3.858 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.197 -5.128 1.657 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.410 -5.600 3.669 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.091 -5.699 2.330 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.168 -5.086 0.252 1.00 0.01 C ATOM 661 CZ2 TRP A 46 0.994 -6.208 1.636 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.064 -5.597 -0.452 1.00 0.00 C ATOM 663 CH2 TRP A 46 0.980 -6.156 0.239 1.00 0.00 C ATOM 0 H TRP A 46 7.837 -3.239 2.515 1.00 0.00 H new ATOM 0 HA TRP A 46 6.367 -5.090 4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.486 -3.039 2.907 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.670 -3.879 1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.108 -4.813 4.814 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.810 -5.928 4.426 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.999 -4.659 -0.290 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.162 -6.639 2.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.051 -5.559 -1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.134 -6.546 -0.308 1.00 0.00 H new ATOM 674 N ILE A 47 7.254 -6.167 1.100 1.00 0.00 N ATOM 675 CA ILE A 47 7.388 -7.416 0.303 1.00 0.00 C ATOM 676 C ILE A 47 8.313 -8.369 1.049 1.00 0.00 C ATOM 677 O ILE A 47 8.061 -9.553 1.141 1.00 0.00 O ATOM 678 CB ILE A 47 7.984 -7.083 -1.069 1.00 0.00 C ATOM 679 CG1 ILE A 47 6.986 -6.244 -1.867 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.285 -8.378 -1.832 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.672 -5.686 -3.115 1.00 0.00 C ATOM 0 H ILE A 47 7.616 -5.325 0.652 1.00 0.00 H new ATOM 0 HA ILE A 47 6.412 -7.881 0.163 1.00 0.00 H new ATOM 0 HB ILE A 47 8.908 -6.522 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.128 -6.853 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.607 -5.428 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.709 -8.136 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.998 -8.977 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.363 -8.943 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.961 -5.088 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.515 -5.062 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.029 -6.510 -3.733 1.00 0.00 H new ATOM 693 N SER A 48 9.374 -7.858 1.605 1.00 0.00 N ATOM 694 CA SER A 48 10.300 -8.733 2.366 1.00 0.00 C ATOM 695 C SER A 48 9.583 -9.210 3.627 1.00 0.00 C ATOM 696 O SER A 48 9.738 -10.335 4.059 1.00 0.00 O ATOM 697 CB SER A 48 11.546 -7.944 2.752 1.00 0.00 C ATOM 698 OG SER A 48 11.199 -6.980 3.738 1.00 0.00 O ATOM 0 H SER A 48 9.638 -6.874 1.565 1.00 0.00 H new ATOM 0 HA SER A 48 10.597 -9.587 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.313 -8.616 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.966 -7.451 1.875 1.00 0.00 H new ATOM 0 HG SER A 48 10.293 -6.649 3.567 1.00 0.00 H new ATOM 704 N CYS A 49 8.789 -8.356 4.214 1.00 0.00 N ATOM 705 CA CYS A 49 8.046 -8.748 5.440 1.00 0.00 C ATOM 706 C CYS A 49 7.078 -9.881 5.099 1.00 0.00 C ATOM 707 O CYS A 49 6.920 -10.821 5.852 1.00 0.01 O ATOM 708 CB CYS A 49 7.260 -7.544 5.962 1.00 0.00 C ATOM 709 SG CYS A 49 6.580 -7.929 7.594 1.00 0.01 S ATOM 0 H CYS A 49 8.624 -7.402 3.894 1.00 0.00 H new ATOM 0 HA CYS A 49 8.746 -9.083 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.910 -6.671 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.455 -7.294 5.271 1.00 0.00 H new ATOM 0 HG CYS A 49 6.873 -6.972 8.423 1.00 0.01 H new ATOM 715 N GLU A 50 6.435 -9.805 3.965 1.00 0.00 N ATOM 716 CA GLU A 50 5.489 -10.891 3.578 1.00 0.00 C ATOM 717 C GLU A 50 6.250 -12.213 3.494 1.00 0.01 C ATOM 718 O GLU A 50 5.813 -13.223 4.005 1.00 0.00 O ATOM 719 CB GLU A 50 4.862 -10.583 2.217 1.00 0.01 C ATOM 720 CG GLU A 50 3.857 -9.437 2.353 1.00 0.00 C ATOM 721 CD GLU A 50 3.241 -9.143 0.985 1.00 0.01 C ATOM 722 OE1 GLU A 50 3.715 -9.707 0.013 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.310 -8.356 0.931 1.00 0.00 O ATOM 0 H GLU A 50 6.523 -9.043 3.293 1.00 0.00 H new ATOM 0 HA GLU A 50 4.700 -10.961 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.639 -10.314 1.502 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.364 -11.471 1.827 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.077 -9.704 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.353 -8.547 2.741 1.00 0.00 H new ATOM 730 N GLU A 51 7.390 -12.211 2.861 1.00 0.01 N ATOM 731 CA GLU A 51 8.180 -13.468 2.758 1.00 0.00 C ATOM 732 C GLU A 51 8.527 -13.933 4.169 1.00 0.01 C ATOM 733 O GLU A 51 8.484 -15.107 4.482 1.00 0.00 O ATOM 734 CB GLU A 51 9.462 -13.202 1.966 1.00 0.00 C ATOM 735 CG GLU A 51 9.105 -12.941 0.503 1.00 0.00 C ATOM 736 CD GLU A 51 10.381 -12.673 -0.297 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.425 -12.543 0.318 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.290 -12.601 -1.512 1.00 0.00 O ATOM 0 H GLU A 51 7.807 -11.396 2.412 1.00 0.01 H new ATOM 0 HA GLU A 51 7.604 -14.238 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.989 -12.344 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.134 -14.057 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.577 -13.800 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.432 -12.087 0.429 1.00 0.00 H new ATOM 745 N TYR A 52 8.862 -13.010 5.026 1.00 0.00 N ATOM 746 CA TYR A 52 9.206 -13.367 6.430 1.00 0.01 C ATOM 747 C TYR A 52 7.992 -14.036 7.083 1.00 0.01 C ATOM 748 O TYR A 52 8.115 -14.988 7.829 1.00 0.01 O ATOM 749 CB TYR A 52 9.561 -12.084 7.192 1.00 0.00 C ATOM 750 CG TYR A 52 10.153 -12.429 8.535 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.317 -12.675 9.630 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.543 -12.495 8.686 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.873 -12.989 10.876 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.098 -12.809 9.931 1.00 0.00 C ATOM 755 CZ TYR A 52 11.264 -13.057 11.026 1.00 0.01 C ATOM 756 OH TYR A 52 11.811 -13.366 12.254 1.00 0.01 O ATOM 0 H TYR A 52 8.913 -12.014 4.812 1.00 0.00 H new ATOM 0 HA TYR A 52 10.054 -14.052 6.451 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.271 -11.492 6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.669 -11.472 7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.245 -12.623 9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.187 -12.303 7.841 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.229 -13.179 11.722 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.171 -12.860 10.047 1.00 0.00 H new ATOM 0 HH TYR A 52 11.094 -13.586 12.885 1.00 0.01 H new ATOM 766 N LYS A 53 6.818 -13.533 6.803 1.00 0.01 N ATOM 767 CA LYS A 53 5.572 -14.109 7.395 1.00 0.01 C ATOM 768 C LYS A 53 5.275 -15.491 6.800 1.00 0.01 C ATOM 769 O LYS A 53 4.525 -16.263 7.364 1.00 0.01 O ATOM 770 CB LYS A 53 4.391 -13.185 7.094 1.00 0.01 C ATOM 771 CG LYS A 53 4.520 -11.892 7.899 1.00 0.00 C ATOM 772 CD LYS A 53 3.326 -10.988 7.579 1.00 0.00 C ATOM 773 CE LYS A 53 3.424 -9.679 8.373 1.00 0.01 C ATOM 774 NZ LYS A 53 2.818 -9.870 9.719 1.00 0.00 N ATOM 0 H LYS A 53 6.667 -12.738 6.182 1.00 0.01 H new ATOM 0 HA LYS A 53 5.717 -14.206 8.471 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.359 -12.958 6.028 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.455 -13.685 7.342 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.550 -12.113 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.453 -11.386 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.300 -10.773 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.396 -11.501 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.467 -9.378 8.471 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.910 -8.879 7.841 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.868 -8.978 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.823 -10.155 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.338 -10.610 10.232 1.00 0.00 H new ATOM 788 N LYS A 54 5.822 -15.807 5.658 1.00 0.00 N ATOM 789 CA LYS A 54 5.520 -17.136 5.040 1.00 0.01 C ATOM 790 C LYS A 54 6.458 -18.203 5.599 1.00 0.01 C ATOM 791 O LYS A 54 6.090 -19.355 5.722 1.00 0.01 O ATOM 792 CB LYS A 54 5.711 -17.041 3.528 1.00 0.01 C ATOM 793 CG LYS A 54 4.616 -16.154 2.933 1.00 0.01 C ATOM 794 CD LYS A 54 4.801 -16.057 1.419 1.00 0.00 C ATOM 795 CE LYS A 54 3.703 -15.170 0.833 1.00 0.01 C ATOM 796 NZ LYS A 54 3.892 -15.059 -0.640 1.00 0.01 N ATOM 0 H LYS A 54 6.459 -15.212 5.128 1.00 0.00 H new ATOM 0 HA LYS A 54 4.491 -17.411 5.271 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.693 -16.628 3.300 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.672 -18.035 3.082 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.634 -16.567 3.164 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.657 -15.160 3.379 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.782 -15.643 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.760 -17.050 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.723 -15.592 1.054 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.736 -14.181 1.291 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.146 -14.456 -1.041 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.822 -14.639 -0.840 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.840 -16.005 -1.069 1.00 0.01 H new ATOM 810 N ILE A 55 7.659 -17.841 5.947 1.00 0.01 N ATOM 811 CA ILE A 55 8.591 -18.859 6.504 1.00 0.01 C ATOM 812 C ILE A 55 8.080 -19.288 7.880 1.00 0.00 C ATOM 813 O ILE A 55 7.945 -18.485 8.781 1.00 0.01 O ATOM 814 CB ILE A 55 9.993 -18.260 6.624 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.564 -18.041 5.219 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.902 -19.216 7.405 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.844 -17.213 5.314 1.00 0.01 C ATOM 0 H ILE A 55 8.034 -16.895 5.872 1.00 0.01 H new ATOM 0 HA ILE A 55 8.639 -19.726 5.845 1.00 0.01 H new ATOM 0 HB ILE A 55 9.940 -17.309 7.154 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.773 -19.001 4.746 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.833 -17.530 4.593 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.899 -18.784 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.492 -19.375 8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.962 -20.170 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.251 -17.057 4.315 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.620 -16.248 5.770 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.575 -17.742 5.925 1.00 0.01 H new ATOM 829 N LYS A 56 7.786 -20.551 8.043 1.00 0.01 N ATOM 830 CA LYS A 56 7.267 -21.043 9.356 1.00 0.01 C ATOM 831 C LYS A 56 8.417 -21.638 10.163 1.00 0.01 C ATOM 832 O LYS A 56 8.230 -22.106 11.266 1.00 0.01 O ATOM 833 CB LYS A 56 6.207 -22.122 9.110 1.00 0.01 C ATOM 834 CG LYS A 56 5.059 -21.551 8.268 1.00 0.01 C ATOM 835 CD LYS A 56 4.149 -20.672 9.131 1.00 0.00 C ATOM 836 CE LYS A 56 2.915 -20.280 8.320 1.00 0.00 C ATOM 837 NZ LYS A 56 3.308 -19.323 7.246 1.00 0.00 N ATOM 0 H LYS A 56 7.883 -21.266 7.322 1.00 0.01 H new ATOM 0 HA LYS A 56 6.824 -20.214 9.908 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.655 -22.973 8.598 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.823 -22.489 10.062 1.00 0.01 H new ATOM 0 HG2 LYS A 56 5.462 -20.966 7.441 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.481 -22.365 7.831 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.852 -21.209 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.685 -19.780 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.458 -21.167 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.168 -19.826 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.781 -18.434 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.328 -19.131 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.089 -19.735 6.317 1.00 0.00 H new ATOM 851 N SER A 57 9.606 -21.619 9.620 1.00 0.00 N ATOM 852 CA SER A 57 10.787 -22.173 10.350 1.00 0.01 C ATOM 853 C SER A 57 11.492 -21.016 11.088 1.00 0.01 C ATOM 854 O SER A 57 12.080 -20.170 10.448 1.00 0.00 O ATOM 855 CB SER A 57 11.756 -22.778 9.331 1.00 0.01 C ATOM 856 OG SER A 57 11.102 -23.821 8.620 1.00 0.01 O ATOM 0 H SER A 57 9.812 -21.241 8.695 1.00 0.00 H new ATOM 0 HA SER A 57 10.471 -22.936 11.061 1.00 0.01 H new ATOM 0 HB2 SER A 57 12.099 -22.010 8.638 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.639 -23.167 9.838 1.00 0.01 H new ATOM 0 HG SER A 57 11.720 -24.209 7.966 1.00 0.01 H new ATOM 862 N PRO A 58 11.446 -20.944 12.409 1.00 0.00 N ATOM 863 CA PRO A 58 12.115 -19.816 13.116 1.00 0.01 C ATOM 864 C PRO A 58 13.641 -19.919 13.034 1.00 0.00 C ATOM 865 O PRO A 58 14.356 -19.004 13.386 1.00 0.00 O ATOM 866 CB PRO A 58 11.607 -19.972 14.560 1.00 0.01 C ATOM 867 CG PRO A 58 10.956 -21.362 14.693 1.00 0.01 C ATOM 868 CD PRO A 58 10.759 -21.943 13.282 1.00 0.01 C ATOM 0 HA PRO A 58 11.886 -18.842 12.684 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.431 -19.869 15.266 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.885 -19.190 14.796 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.587 -22.021 15.290 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.999 -21.285 15.208 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.203 -22.934 13.188 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.703 -22.041 13.030 1.00 0.01 H new ATOM 876 N SER A 59 14.141 -21.030 12.568 1.00 0.01 N ATOM 877 CA SER A 59 15.617 -21.196 12.456 1.00 0.01 C ATOM 878 C SER A 59 16.096 -20.588 11.136 1.00 0.01 C ATOM 879 O SER A 59 17.258 -20.271 10.975 1.00 0.01 O ATOM 880 CB SER A 59 15.964 -22.685 12.486 1.00 0.01 C ATOM 881 OG SER A 59 15.389 -23.322 11.351 1.00 0.01 O ATOM 0 H SER A 59 13.590 -21.831 12.260 1.00 0.01 H new ATOM 0 HA SER A 59 16.106 -20.692 13.289 1.00 0.01 H new ATOM 0 HB2 SER A 59 17.046 -22.819 12.484 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.588 -23.140 13.403 1.00 0.01 H new ATOM 0 HG SER A 59 15.610 -24.277 11.365 1.00 0.01 H new ATOM 887 N LYS A 60 15.209 -20.427 10.186 1.00 0.00 N ATOM 888 CA LYS A 60 15.617 -19.841 8.872 1.00 0.00 C ATOM 889 C LYS A 60 15.368 -18.329 8.881 1.00 0.01 C ATOM 890 O LYS A 60 15.911 -17.601 8.074 1.00 0.01 O ATOM 891 CB LYS A 60 14.783 -20.480 7.757 1.00 0.01 C ATOM 892 CG LYS A 60 14.993 -22.002 7.741 1.00 0.01 C ATOM 893 CD LYS A 60 16.408 -22.347 7.254 1.00 0.01 C ATOM 894 CE LYS A 60 16.474 -23.825 6.868 1.00 0.01 C ATOM 895 NZ LYS A 60 16.257 -24.662 8.079 1.00 0.01 N ATOM 0 H LYS A 60 14.223 -20.675 10.263 1.00 0.00 H new ATOM 0 HA LYS A 60 16.676 -20.033 8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.728 -20.253 7.907 1.00 0.01 H new ATOM 0 HB3 LYS A 60 15.066 -20.057 6.793 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.838 -22.406 8.741 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.254 -22.470 7.090 1.00 0.01 H new ATOM 0 HD2 LYS A 60 16.670 -21.726 6.398 1.00 0.01 H new ATOM 0 HD3 LYS A 60 17.135 -22.133 8.037 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.717 -24.050 6.116 1.00 0.01 H new ATOM 0 HE3 LYS A 60 17.443 -24.053 6.423 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.500 -25.650 7.866 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 16.860 -24.316 8.853 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 15.259 -24.605 8.366 1.00 0.01 H new ATOM 909 N LEU A 61 14.560 -17.845 9.785 1.00 0.01 N ATOM 910 CA LEU A 61 14.296 -16.376 9.833 1.00 0.01 C ATOM 911 C LEU A 61 15.597 -15.634 10.155 1.00 0.01 C ATOM 912 O LEU A 61 15.879 -14.586 9.610 1.00 0.01 O ATOM 913 CB LEU A 61 13.266 -16.067 10.926 1.00 0.01 C ATOM 914 CG LEU A 61 11.939 -16.782 10.636 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.945 -16.484 11.768 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.358 -16.294 9.295 1.00 0.01 C ATOM 0 H LEU A 61 14.073 -18.399 10.490 1.00 0.01 H new ATOM 0 HA LEU A 61 13.911 -16.053 8.866 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.651 -16.383 11.896 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.101 -14.991 10.984 1.00 0.01 H new ATOM 0 HG LEU A 61 12.115 -17.856 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.001 -16.990 11.566 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.353 -16.841 12.714 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.775 -15.409 11.829 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.417 -16.807 9.098 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.182 -15.219 9.344 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.064 -16.510 8.493 1.00 0.01 H new ATOM 928 N SER A 62 16.386 -16.171 11.044 1.00 0.00 N ATOM 929 CA SER A 62 17.664 -15.503 11.426 1.00 0.01 C ATOM 930 C SER A 62 18.463 -15.070 10.176 1.00 0.01 C ATOM 931 O SER A 62 18.667 -13.891 9.971 1.00 0.01 O ATOM 932 CB SER A 62 18.488 -16.457 12.306 1.00 0.01 C ATOM 933 OG SER A 62 18.275 -16.125 13.672 1.00 0.01 O ATOM 0 H SER A 62 16.200 -17.050 11.526 1.00 0.00 H new ATOM 0 HA SER A 62 17.439 -14.599 11.991 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.194 -17.490 12.119 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.547 -16.377 12.060 1.00 0.01 H new ATOM 0 HG SER A 62 18.796 -16.730 14.241 1.00 0.01 H new ATOM 939 N PRO A 63 18.919 -15.989 9.350 1.00 0.00 N ATOM 940 CA PRO A 63 19.699 -15.611 8.140 1.00 0.00 C ATOM 941 C PRO A 63 19.160 -14.348 7.449 1.00 0.01 C ATOM 942 O PRO A 63 19.861 -13.363 7.312 1.00 0.00 O ATOM 943 CB PRO A 63 19.548 -16.861 7.253 1.00 0.01 C ATOM 944 CG PRO A 63 18.996 -18.008 8.130 1.00 0.01 C ATOM 945 CD PRO A 63 18.708 -17.450 9.540 1.00 0.01 C ATOM 0 HA PRO A 63 20.733 -15.352 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.873 -16.659 6.422 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.509 -17.140 6.822 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.086 -18.416 7.691 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.717 -18.824 8.185 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.693 -17.675 9.867 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.384 -17.865 10.288 1.00 0.01 H new ATOM 953 N LYS A 64 17.932 -14.363 7.003 1.00 0.01 N ATOM 954 CA LYS A 64 17.391 -13.154 6.323 1.00 0.01 C ATOM 955 C LYS A 64 17.107 -12.048 7.344 1.00 0.00 C ATOM 956 O LYS A 64 17.177 -10.878 7.028 1.00 0.00 O ATOM 957 CB LYS A 64 16.113 -13.495 5.551 1.00 0.00 C ATOM 958 CG LYS A 64 15.080 -14.152 6.476 1.00 0.01 C ATOM 959 CD LYS A 64 13.678 -14.013 5.869 1.00 0.01 C ATOM 960 CE LYS A 64 13.659 -14.599 4.452 1.00 0.01 C ATOM 961 NZ LYS A 64 12.258 -14.636 3.946 1.00 0.00 N ATOM 0 H LYS A 64 17.288 -15.150 7.079 1.00 0.01 H new ATOM 0 HA LYS A 64 18.140 -12.797 5.616 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.693 -12.589 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.349 -14.167 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.322 -15.205 6.617 1.00 0.01 H new ATOM 0 HG3 LYS A 64 15.109 -13.683 7.460 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.949 -14.529 6.494 1.00 0.01 H new ATOM 0 HD3 LYS A 64 13.387 -12.963 5.841 1.00 0.01 H new ATOM 0 HE2 LYS A 64 14.280 -13.996 3.790 1.00 0.01 H new ATOM 0 HE3 LYS A 64 14.081 -15.604 4.457 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 12.111 -15.505 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.598 -14.621 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.085 -13.808 3.341 1.00 0.00 H new ATOM 975 N ALA A 65 16.792 -12.392 8.566 1.00 0.00 N ATOM 976 CA ALA A 65 16.518 -11.322 9.565 1.00 0.01 C ATOM 977 C ALA A 65 17.737 -10.411 9.647 1.00 0.01 C ATOM 978 O ALA A 65 17.627 -9.206 9.593 1.00 0.01 O ATOM 979 CB ALA A 65 16.256 -11.937 10.940 1.00 0.01 C ATOM 0 H ALA A 65 16.714 -13.349 8.909 1.00 0.00 H new ATOM 0 HA ALA A 65 15.638 -10.756 9.259 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.057 -11.144 11.661 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.393 -12.601 10.883 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.131 -12.505 11.257 1.00 0.01 H new ATOM 985 N LYS A 66 18.906 -10.977 9.771 1.00 0.01 N ATOM 986 CA LYS A 66 20.129 -10.134 9.843 1.00 0.00 C ATOM 987 C LYS A 66 20.242 -9.318 8.557 1.00 0.01 C ATOM 988 O LYS A 66 20.456 -8.125 8.584 1.00 0.01 O ATOM 989 CB LYS A 66 21.357 -11.034 9.986 1.00 0.01 C ATOM 990 CG LYS A 66 21.353 -11.679 11.371 1.00 0.01 C ATOM 991 CD LYS A 66 22.578 -12.580 11.517 1.00 0.01 C ATOM 992 CE LYS A 66 22.570 -13.223 12.903 1.00 0.00 C ATOM 993 NZ LYS A 66 23.557 -14.336 12.935 1.00 0.00 N ATOM 0 H LYS A 66 19.065 -11.983 9.825 1.00 0.01 H new ATOM 0 HA LYS A 66 20.070 -9.465 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.350 -11.803 9.214 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.267 -10.451 9.847 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.361 -10.909 12.142 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.442 -12.261 11.510 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.571 -13.351 10.746 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.490 -11.999 11.378 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.817 -12.481 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.574 -13.598 13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.554 -14.776 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.302 -15.047 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.506 -13.964 12.730 1.00 0.00 H new ATOM 1007 N LYS A 67 20.091 -9.956 7.425 1.00 0.00 N ATOM 1008 CA LYS A 67 20.183 -9.215 6.135 1.00 0.00 C ATOM 1009 C LYS A 67 19.089 -8.151 6.099 1.00 0.01 C ATOM 1010 O LYS A 67 19.337 -6.996 5.812 1.00 0.01 O ATOM 1011 CB LYS A 67 19.974 -10.188 4.973 1.00 0.00 C ATOM 1012 CG LYS A 67 21.127 -11.189 4.926 1.00 0.01 C ATOM 1013 CD LYS A 67 20.916 -12.159 3.763 1.00 0.00 C ATOM 1014 CE LYS A 67 22.071 -13.160 3.720 1.00 0.00 C ATOM 1015 NZ LYS A 67 23.365 -12.426 3.675 1.00 0.01 N ATOM 0 H LYS A 67 19.908 -10.956 7.340 1.00 0.00 H new ATOM 0 HA LYS A 67 21.164 -8.748 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.027 -10.715 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.917 -9.640 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.074 -10.663 4.807 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.184 -11.739 5.866 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.969 -12.685 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.861 -11.610 2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.038 -13.807 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.976 -13.804 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.105 -13.050 3.296 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 23.269 -11.591 3.063 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 23.626 -12.123 4.635 1.00 0.01 H new ATOM 1029 N ILE A 68 17.878 -8.532 6.397 1.00 0.01 N ATOM 1030 CA ILE A 68 16.765 -7.549 6.395 1.00 0.00 C ATOM 1031 C ILE A 68 16.991 -6.544 7.525 1.00 0.01 C ATOM 1032 O ILE A 68 16.911 -5.346 7.332 1.00 0.00 O ATOM 1033 CB ILE A 68 15.442 -8.295 6.605 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.203 -9.235 5.420 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.283 -7.299 6.701 1.00 0.00 C ATOM 1036 CD1 ILE A 68 14.026 -10.163 5.727 1.00 0.00 C ATOM 0 H ILE A 68 17.613 -9.486 6.642 1.00 0.01 H new ATOM 0 HA ILE A 68 16.728 -7.017 5.445 1.00 0.00 H new ATOM 0 HB ILE A 68 15.497 -8.867 7.532 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.997 -8.656 4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.100 -9.822 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.349 -7.841 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.450 -6.626 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.223 -6.720 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.859 -10.830 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.250 -10.753 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.130 -9.568 5.902 1.00 0.00 H new ATOM 1048 N TYR A 69 17.280 -7.026 8.704 1.00 0.00 N ATOM 1049 CA TYR A 69 17.521 -6.104 9.845 1.00 0.01 C ATOM 1050 C TYR A 69 18.704 -5.194 9.526 1.00 0.00 C ATOM 1051 O TYR A 69 18.633 -3.989 9.660 1.00 0.01 O ATOM 1052 CB TYR A 69 17.849 -6.918 11.100 1.00 0.01 C ATOM 1053 CG TYR A 69 18.177 -5.977 12.237 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.479 -5.484 12.381 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.182 -5.600 13.145 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.786 -4.610 13.433 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.487 -4.728 14.198 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.790 -4.233 14.342 1.00 0.01 C ATOM 1059 OH TYR A 69 19.087 -3.370 15.380 1.00 0.01 O ATOM 0 H TYR A 69 17.359 -8.019 8.924 1.00 0.00 H new ATOM 0 HA TYR A 69 16.627 -5.504 10.015 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.002 -7.550 11.369 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.693 -7.581 10.907 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.248 -5.777 11.681 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.178 -5.982 13.034 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.790 -4.228 13.542 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.718 -4.437 14.899 1.00 0.01 H new ATOM 0 HH TYR A 69 18.291 -2.846 15.608 1.00 0.01 H new ATOM 1069 N ASN A 70 19.795 -5.763 9.100 1.00 0.01 N ATOM 1070 CA ASN A 70 20.984 -4.935 8.775 1.00 0.00 C ATOM 1071 C ASN A 70 20.632 -3.968 7.647 1.00 0.00 C ATOM 1072 O ASN A 70 21.055 -2.832 7.629 1.00 0.01 O ATOM 1073 CB ASN A 70 22.133 -5.838 8.319 1.00 0.00 C ATOM 1074 CG ASN A 70 22.654 -6.641 9.510 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.471 -6.250 10.646 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.295 -7.757 9.302 1.00 0.01 N ATOM 0 H ASN A 70 19.914 -6.767 8.963 1.00 0.01 H new ATOM 0 HA ASN A 70 21.288 -4.378 9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.790 -6.512 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.936 -5.236 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.642 -8.301 10.092 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.449 -8.087 8.349 1.00 0.01 H new ATOM 1083 N GLU A 71 19.884 -4.432 6.686 1.00 0.00 N ATOM 1084 CA GLU A 71 19.525 -3.569 5.527 1.00 0.00 C ATOM 1085 C GLU A 71 18.419 -2.558 5.872 1.00 0.00 C ATOM 1086 O GLU A 71 18.583 -1.371 5.685 1.00 0.00 O ATOM 1087 CB GLU A 71 19.047 -4.470 4.380 1.00 0.00 C ATOM 1088 CG GLU A 71 18.677 -3.625 3.151 1.00 0.00 C ATOM 1089 CD GLU A 71 18.205 -4.549 2.028 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.361 -5.751 2.171 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.699 -4.039 1.043 1.00 0.00 O ATOM 0 H GLU A 71 19.504 -5.378 6.653 1.00 0.00 H new ATOM 0 HA GLU A 71 20.409 -2.999 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.830 -5.181 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.183 -5.052 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.892 -2.914 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.538 -3.044 2.822 1.00 0.00 H new ATOM 1098 N PHE A 72 17.267 -3.013 6.294 1.00 0.00 N ATOM 1099 CA PHE A 72 16.138 -2.058 6.553 1.00 0.00 C ATOM 1100 C PHE A 72 16.077 -1.531 8.000 1.00 0.00 C ATOM 1101 O PHE A 72 15.505 -0.485 8.233 1.00 0.00 O ATOM 1102 CB PHE A 72 14.824 -2.768 6.232 1.00 0.00 C ATOM 1103 CG PHE A 72 14.777 -3.089 4.754 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.282 -4.307 4.288 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.230 -2.170 3.852 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.239 -4.607 2.922 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.187 -2.468 2.486 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.691 -3.688 2.020 1.00 0.00 C ATOM 0 H PHE A 72 17.056 -3.995 6.470 1.00 0.00 H new ATOM 0 HA PHE A 72 16.307 -1.189 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.740 -3.683 6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.979 -2.136 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.706 -5.017 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.840 -1.229 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.629 -5.548 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.765 -1.757 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.657 -3.920 0.966 1.00 0.00 H new ATOM 1118 N ILE A 73 16.609 -2.226 8.980 1.00 0.00 N ATOM 1119 CA ILE A 73 16.496 -1.715 10.398 1.00 0.00 C ATOM 1120 C ILE A 73 17.770 -1.002 10.866 1.00 0.00 C ATOM 1121 O ILE A 73 17.729 -0.234 11.807 1.00 0.01 O ATOM 1122 CB ILE A 73 16.201 -2.884 11.348 1.00 0.00 C ATOM 1123 CG1 ILE A 73 14.871 -3.561 10.946 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.122 -2.375 12.797 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.693 -2.572 11.010 1.00 0.00 C ATOM 0 H ILE A 73 17.108 -3.109 8.870 1.00 0.00 H new ATOM 0 HA ILE A 73 15.682 -0.991 10.414 1.00 0.00 H new ATOM 0 HB ILE A 73 17.006 -3.616 11.277 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.956 -3.962 9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.676 -4.404 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.912 -3.210 13.465 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.072 -1.918 13.074 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.326 -1.635 12.880 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.774 -3.082 10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.593 -2.191 12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.877 -1.742 10.328 1.00 0.00 H new ATOM 1137 N SER A 74 18.897 -1.225 10.255 1.00 0.01 N ATOM 1138 CA SER A 74 20.115 -0.519 10.745 1.00 0.00 C ATOM 1139 C SER A 74 19.892 0.990 10.668 1.00 0.00 C ATOM 1140 O SER A 74 19.522 1.526 9.641 1.00 0.01 O ATOM 1141 CB SER A 74 21.328 -0.894 9.896 1.00 0.00 C ATOM 1142 OG SER A 74 21.742 -2.210 10.222 1.00 0.01 O ATOM 0 H SER A 74 19.030 -1.848 9.458 1.00 0.01 H new ATOM 0 HA SER A 74 20.301 -0.816 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.078 -0.831 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.141 -0.191 10.073 1.00 0.00 H new ATOM 0 HG SER A 74 21.069 -2.632 10.795 1.00 0.01 H new ATOM 1148 N VAL A 75 20.125 1.683 11.746 1.00 0.01 N ATOM 1149 CA VAL A 75 19.941 3.156 11.734 1.00 0.01 C ATOM 1150 C VAL A 75 20.898 3.764 10.707 1.00 0.00 C ATOM 1151 O VAL A 75 20.729 4.885 10.271 1.00 0.00 O ATOM 1152 CB VAL A 75 20.227 3.718 13.130 1.00 0.00 C ATOM 1153 CG1 VAL A 75 19.356 2.986 14.155 1.00 0.01 C ATOM 1154 CG2 VAL A 75 21.708 3.522 13.477 1.00 0.00 C ATOM 0 H VAL A 75 20.435 1.291 12.635 1.00 0.01 H new ATOM 0 HA VAL A 75 18.915 3.406 11.462 1.00 0.01 H new ATOM 0 HB VAL A 75 19.997 4.783 13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.555 3.382 15.151 1.00 0.01 H new ATOM 0 HG12 VAL A 75 18.304 3.133 13.910 1.00 0.01 H new ATOM 0 HG13 VAL A 75 19.588 1.921 14.135 1.00 0.01 H new ATOM 0 HG21 VAL A 75 21.905 3.924 14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 75 21.948 2.459 13.461 1.00 0.00 H new ATOM 0 HG23 VAL A 75 22.325 4.044 12.746 1.00 0.00 H new ATOM 1164 N GLN A 76 21.904 3.022 10.313 1.00 0.01 N ATOM 1165 CA GLN A 76 22.883 3.541 9.306 1.00 0.01 C ATOM 1166 C GLN A 76 22.498 3.033 7.918 1.00 0.01 C ATOM 1167 O GLN A 76 23.123 3.365 6.929 1.00 0.01 O ATOM 1168 CB GLN A 76 24.283 3.024 9.643 1.00 0.00 C ATOM 1169 CG GLN A 76 24.705 3.533 11.020 1.00 0.01 C ATOM 1170 CD GLN A 76 24.858 5.055 10.981 1.00 0.01 C ATOM 1171 OE1 GLN A 76 25.433 5.595 10.056 1.00 0.01 O ATOM 1172 NE2 GLN A 76 24.360 5.774 11.949 1.00 0.01 N ATOM 0 H GLN A 76 22.090 2.076 10.646 1.00 0.01 H new ATOM 0 HA GLN A 76 22.873 4.631 9.323 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.291 1.934 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 76 24.995 3.357 8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 76 23.962 3.251 11.766 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.646 3.070 11.317 1.00 0.01 H new ATOM 0 HE21 GLN A 76 23.878 5.321 12.725 1.00 0.01 H new ATOM 0 HE22 GLN A 76 24.453 6.790 11.930 1.00 0.01 H new ATOM 1181 N ALA A 77 21.477 2.229 7.834 1.00 0.01 N ATOM 1182 CA ALA A 77 21.057 1.697 6.511 1.00 0.00 C ATOM 1183 C ALA A 77 20.923 2.848 5.511 1.00 0.01 C ATOM 1184 O ALA A 77 20.489 3.931 5.848 1.00 0.00 O ATOM 1185 CB ALA A 77 19.710 0.988 6.652 1.00 0.00 C ATOM 0 H ALA A 77 20.915 1.917 8.626 1.00 0.01 H new ATOM 0 HA ALA A 77 21.806 0.991 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.401 0.598 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.804 0.166 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.963 1.695 7.013 1.00 0.00 H new ATOM 1191 N THR A 78 21.285 2.618 4.282 1.00 0.01 N ATOM 1192 CA THR A 78 21.161 3.692 3.262 1.00 0.01 C ATOM 1193 C THR A 78 19.682 3.910 2.952 1.00 0.01 C ATOM 1194 O THR A 78 19.287 4.947 2.455 1.00 0.00 O ATOM 1195 CB THR A 78 21.890 3.272 1.987 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.274 2.109 1.454 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.351 2.973 2.311 1.00 0.01 C ATOM 0 H THR A 78 21.661 1.734 3.940 1.00 0.01 H new ATOM 0 HA THR A 78 21.601 4.614 3.641 1.00 0.01 H new ATOM 0 HB THR A 78 21.840 4.078 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.739 1.839 0.635 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.871 2.673 1.401 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.823 3.866 2.722 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.404 2.166 3.042 1.00 0.01 H new ATOM 1205 N LYS A 79 18.861 2.930 3.248 1.00 0.00 N ATOM 1206 CA LYS A 79 17.392 3.045 2.981 1.00 0.00 C ATOM 1207 C LYS A 79 16.622 2.747 4.269 1.00 0.00 C ATOM 1208 O LYS A 79 15.845 1.816 4.340 1.00 0.00 O ATOM 1209 CB LYS A 79 16.996 2.041 1.896 1.00 0.00 C ATOM 1210 CG LYS A 79 17.691 0.699 2.151 1.00 0.00 C ATOM 1211 CD LYS A 79 17.089 -0.376 1.235 1.00 0.01 C ATOM 1212 CE LYS A 79 17.416 -0.061 -0.229 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.156 -1.264 -1.069 1.00 0.00 N ATOM 0 H LYS A 79 19.150 2.046 3.668 1.00 0.00 H new ATOM 0 HA LYS A 79 17.154 4.053 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.914 1.905 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.274 2.424 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.761 0.791 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.572 0.409 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.485 -1.356 1.502 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.009 -0.420 1.373 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.809 0.775 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.459 0.242 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.378 -1.049 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.753 -2.051 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.155 -1.533 -0.989 1.00 0.00 H new ATOM 1227 N GLU A 80 16.833 3.539 5.286 1.00 0.00 N ATOM 1228 CA GLU A 80 16.118 3.315 6.574 1.00 0.00 C ATOM 1229 C GLU A 80 14.609 3.421 6.356 1.00 0.00 C ATOM 1230 O GLU A 80 14.136 4.265 5.621 1.00 0.00 O ATOM 1231 CB GLU A 80 16.548 4.378 7.591 1.00 0.00 C ATOM 1232 CG GLU A 80 17.962 4.077 8.087 1.00 0.00 C ATOM 1233 CD GLU A 80 18.424 5.200 9.017 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.058 5.167 10.181 1.00 0.00 O ATOM 1235 OE2 GLU A 80 19.137 6.073 8.550 1.00 0.01 O ATOM 0 H GLU A 80 17.472 4.334 5.279 1.00 0.00 H new ATOM 0 HA GLU A 80 16.365 2.321 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.516 5.367 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.853 4.393 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.979 3.123 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.644 3.986 7.242 1.00 0.00 H new ATOM 1242 N VAL A 81 13.850 2.576 7.003 1.00 0.00 N ATOM 1243 CA VAL A 81 12.364 2.628 6.857 1.00 0.00 C ATOM 1244 C VAL A 81 11.790 3.365 8.064 1.00 0.00 C ATOM 1245 O VAL A 81 12.353 3.344 9.141 1.00 0.00 O ATOM 1246 CB VAL A 81 11.804 1.205 6.807 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.307 0.516 5.541 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.277 0.424 8.033 1.00 0.00 C ATOM 0 H VAL A 81 14.196 1.849 7.629 1.00 0.00 H new ATOM 0 HA VAL A 81 12.093 3.146 5.937 1.00 0.00 H new ATOM 0 HB VAL A 81 10.715 1.240 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.912 -0.499 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.972 1.073 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.396 0.481 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.877 -0.589 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.366 0.384 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.925 0.920 8.938 1.00 0.00 H new ATOM 1258 N ASN A 82 10.688 4.037 7.892 1.00 0.00 N ATOM 1259 CA ASN A 82 10.096 4.797 9.027 1.00 0.00 C ATOM 1260 C ASN A 82 9.451 3.838 10.034 1.00 0.00 C ATOM 1261 O ASN A 82 8.465 3.187 9.752 1.00 0.00 O ATOM 1262 CB ASN A 82 9.045 5.768 8.482 1.00 0.00 C ATOM 1263 CG ASN A 82 8.240 5.073 7.386 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.061 3.871 7.417 1.00 0.00 O ATOM 1265 ND2 ASN A 82 7.745 5.781 6.408 1.00 0.00 N ATOM 0 H ASN A 82 10.171 4.093 7.015 1.00 0.00 H new ATOM 0 HA ASN A 82 10.882 5.353 9.538 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.383 6.094 9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.528 6.660 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.208 5.326 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.895 6.790 6.382 1.00 0.00 H new ATOM 1272 N LEU A 83 10.006 3.767 11.215 1.00 0.00 N ATOM 1273 CA LEU A 83 9.453 2.878 12.281 1.00 0.00 C ATOM 1274 C LEU A 83 9.656 3.564 13.630 1.00 0.00 C ATOM 1275 O LEU A 83 10.423 4.500 13.747 1.00 0.00 O ATOM 1276 CB LEU A 83 10.194 1.532 12.297 1.00 0.01 C ATOM 1277 CG LEU A 83 9.850 0.703 11.051 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.790 -0.506 10.981 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.390 0.211 11.116 1.00 0.00 C ATOM 0 H LEU A 83 10.833 4.296 11.491 1.00 0.00 H new ATOM 0 HA LEU A 83 8.396 2.697 12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.269 1.705 12.338 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.926 0.975 13.195 1.00 0.01 H new ATOM 0 HG LEU A 83 9.970 1.326 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.553 -1.101 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.822 -0.161 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.664 -1.117 11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.163 -0.375 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.254 -0.409 12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.719 1.068 11.167 1.00 0.00 H new ATOM 1291 N ASP A 84 8.982 3.111 14.648 1.00 0.01 N ATOM 1292 CA ASP A 84 9.149 3.748 15.984 1.00 0.00 C ATOM 1293 C ASP A 84 10.524 3.379 16.546 1.00 0.00 C ATOM 1294 O ASP A 84 11.122 2.398 16.149 1.00 0.00 O ATOM 1295 CB ASP A 84 8.057 3.252 16.933 1.00 0.00 C ATOM 1296 CG ASP A 84 6.709 3.830 16.499 1.00 0.01 C ATOM 1297 OD1 ASP A 84 6.713 4.779 15.733 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.697 3.308 16.934 1.00 0.01 O ATOM 0 H ASP A 84 8.325 2.331 14.615 1.00 0.01 H new ATOM 0 HA ASP A 84 9.070 4.831 15.885 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.018 2.163 16.924 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.283 3.554 17.956 1.00 0.00 H new ATOM 1303 N SER A 85 11.030 4.157 17.461 1.00 0.00 N ATOM 1304 CA SER A 85 12.368 3.855 18.047 1.00 0.01 C ATOM 1305 C SER A 85 12.269 2.603 18.917 1.00 0.01 C ATOM 1306 O SER A 85 13.260 1.967 19.223 1.00 0.00 O ATOM 1307 CB SER A 85 12.833 5.037 18.902 1.00 0.01 C ATOM 1308 OG SER A 85 13.044 6.169 18.067 1.00 0.00 O ATOM 0 H SER A 85 10.574 4.992 17.830 1.00 0.00 H new ATOM 0 HA SER A 85 13.086 3.686 17.245 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.086 5.266 19.662 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.754 4.781 19.426 1.00 0.01 H new ATOM 0 HG SER A 85 13.340 6.927 18.613 1.00 0.00 H new ATOM 1314 N CYS A 86 11.084 2.248 19.322 1.00 0.01 N ATOM 1315 CA CYS A 86 10.916 1.039 20.180 1.00 0.01 C ATOM 1316 C CYS A 86 10.855 -0.216 19.307 1.00 0.00 C ATOM 1317 O CYS A 86 11.509 -1.203 19.584 1.00 0.01 O ATOM 1318 CB CYS A 86 9.618 1.164 20.981 1.00 0.01 C ATOM 1319 SG CYS A 86 9.402 -0.311 22.008 1.00 0.01 S ATOM 0 H CYS A 86 10.221 2.742 19.097 1.00 0.01 H new ATOM 0 HA CYS A 86 11.764 0.961 20.860 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.648 2.056 21.607 1.00 0.01 H new ATOM 0 HB3 CYS A 86 8.770 1.278 20.305 1.00 0.01 H new ATOM 0 HG CYS A 86 8.301 -0.207 22.691 1.00 0.01 H new ATOM 1325 N THR A 87 10.071 -0.199 18.269 1.00 0.00 N ATOM 1326 CA THR A 87 9.969 -1.406 17.400 1.00 0.00 C ATOM 1327 C THR A 87 11.345 -1.743 16.819 1.00 0.00 C ATOM 1328 O THR A 87 11.734 -2.893 16.759 1.00 0.01 O ATOM 1329 CB THR A 87 8.980 -1.145 16.263 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.703 -0.848 16.816 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.864 -2.392 15.378 1.00 0.00 C ATOM 0 H THR A 87 9.497 0.594 17.983 1.00 0.00 H new ATOM 0 HA THR A 87 9.615 -2.246 17.997 1.00 0.00 H new ATOM 0 HB THR A 87 9.333 -0.307 15.663 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.021 -1.402 16.381 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.158 -2.200 14.570 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.841 -2.632 14.958 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.511 -3.231 15.977 1.00 0.00 H new ATOM 1339 N ARG A 88 12.091 -0.755 16.398 1.00 0.01 N ATOM 1340 CA ARG A 88 13.439 -1.050 15.839 1.00 0.00 C ATOM 1341 C ARG A 88 14.278 -1.741 16.913 1.00 0.00 C ATOM 1342 O ARG A 88 14.864 -2.781 16.682 1.00 0.01 O ATOM 1343 CB ARG A 88 14.128 0.254 15.421 1.00 0.00 C ATOM 1344 CG ARG A 88 13.432 0.841 14.189 1.00 0.00 C ATOM 1345 CD ARG A 88 14.131 2.143 13.781 1.00 0.00 C ATOM 1346 NE ARG A 88 13.490 2.700 12.558 1.00 0.01 N ATOM 1347 CZ ARG A 88 13.679 3.951 12.235 1.00 0.00 C ATOM 1348 NH1 ARG A 88 14.420 4.713 12.989 1.00 0.00 N ATOM 1349 NH2 ARG A 88 13.124 4.438 11.159 1.00 0.01 N ATOM 0 H ARG A 88 11.828 0.230 16.417 1.00 0.01 H new ATOM 0 HA ARG A 88 13.338 -1.696 14.967 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.098 0.970 16.242 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.179 0.066 15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.461 0.127 13.366 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.382 1.032 14.408 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.074 2.867 14.594 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.188 1.955 13.595 1.00 0.00 H new ATOM 0 HE ARG A 88 12.904 2.105 11.973 1.00 0.01 H new ATOM 0 HH11 ARG A 88 14.852 4.332 13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.568 5.690 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.543 3.841 10.570 1.00 0.01 H new ATOM 0 HH22 ARG A 88 13.272 5.415 10.907 1.00 0.01 H new ATOM 1363 N GLU A 89 14.322 -1.183 18.092 1.00 0.01 N ATOM 1364 CA GLU A 89 15.106 -1.815 19.187 1.00 0.01 C ATOM 1365 C GLU A 89 14.534 -3.201 19.477 1.00 0.01 C ATOM 1366 O GLU A 89 15.257 -4.152 19.708 1.00 0.00 O ATOM 1367 CB GLU A 89 15.006 -0.954 20.449 1.00 0.01 C ATOM 1368 CG GLU A 89 15.783 0.346 20.245 1.00 0.01 C ATOM 1369 CD GLU A 89 15.613 1.234 21.476 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.949 0.802 22.404 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.153 2.328 21.475 1.00 0.01 O ATOM 0 H GLU A 89 13.848 -0.316 18.343 1.00 0.01 H new ATOM 0 HA GLU A 89 16.150 -1.901 18.887 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.961 -0.734 20.670 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.405 -1.498 21.305 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.839 0.130 20.081 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.422 0.864 19.356 1.00 0.01 H new ATOM 1378 N GLU A 90 13.235 -3.317 19.473 1.00 0.00 N ATOM 1379 CA GLU A 90 12.594 -4.633 19.750 1.00 0.01 C ATOM 1380 C GLU A 90 13.046 -5.658 18.712 1.00 0.01 C ATOM 1381 O GLU A 90 13.317 -6.798 19.034 1.00 0.01 O ATOM 1382 CB GLU A 90 11.071 -4.483 19.694 1.00 0.01 C ATOM 1383 CG GLU A 90 10.414 -5.808 20.091 1.00 0.00 C ATOM 1384 CD GLU A 90 8.899 -5.614 20.194 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.463 -4.475 20.129 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.202 -6.604 20.339 1.00 0.00 O ATOM 0 H GLU A 90 12.586 -2.552 19.289 1.00 0.00 H new ATOM 0 HA GLU A 90 12.889 -4.974 20.742 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.748 -3.688 20.367 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.760 -4.197 18.689 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.644 -6.576 19.353 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.813 -6.153 21.045 1.00 0.00 H new ATOM 1393 N THR A 91 13.127 -5.274 17.468 1.00 0.01 N ATOM 1394 CA THR A 91 13.557 -6.249 16.432 1.00 0.01 C ATOM 1395 C THR A 91 14.976 -6.717 16.746 1.00 0.01 C ATOM 1396 O THR A 91 15.293 -7.880 16.615 1.00 0.01 O ATOM 1397 CB THR A 91 13.536 -5.586 15.054 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.293 -4.922 14.871 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.702 -6.653 13.970 1.00 0.01 C ATOM 0 H THR A 91 12.916 -4.336 17.128 1.00 0.01 H new ATOM 0 HA THR A 91 12.876 -7.100 16.430 1.00 0.01 H new ATOM 0 HB THR A 91 14.352 -4.866 14.985 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.250 -4.140 15.460 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.687 -6.180 12.988 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.652 -7.169 14.110 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.885 -7.372 14.039 1.00 0.01 H new ATOM 1407 N SER A 92 15.829 -5.820 17.167 1.00 0.01 N ATOM 1408 CA SER A 92 17.230 -6.213 17.495 1.00 0.01 C ATOM 1409 C SER A 92 17.201 -7.257 18.612 1.00 0.01 C ATOM 1410 O SER A 92 17.947 -8.215 18.607 1.00 0.00 O ATOM 1411 CB SER A 92 18.004 -4.982 17.974 1.00 0.01 C ATOM 1412 OG SER A 92 17.534 -4.603 19.262 1.00 0.01 O ATOM 0 H SER A 92 15.615 -4.831 17.298 1.00 0.01 H new ATOM 0 HA SER A 92 17.716 -6.626 16.611 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.071 -5.202 18.014 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.874 -4.160 17.270 1.00 0.01 H new ATOM 0 HG SER A 92 16.606 -4.295 19.194 1.00 0.01 H new ATOM 1418 N ARG A 93 16.332 -7.072 19.566 1.00 0.01 N ATOM 1419 CA ARG A 93 16.220 -8.038 20.694 1.00 0.01 C ATOM 1420 C ARG A 93 15.672 -9.366 20.170 1.00 0.01 C ATOM 1421 O ARG A 93 16.054 -10.431 20.612 1.00 0.01 O ATOM 1422 CB ARG A 93 15.260 -7.469 21.740 1.00 0.00 C ATOM 1423 CG ARG A 93 15.912 -6.268 22.424 1.00 0.01 C ATOM 1424 CD ARG A 93 14.958 -5.692 23.470 1.00 0.01 C ATOM 1425 NE ARG A 93 15.490 -4.388 23.959 1.00 0.00 N ATOM 1426 CZ ARG A 93 14.712 -3.565 24.607 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.466 -3.885 24.831 1.00 0.00 N ATOM 1428 NH2 ARG A 93 15.180 -2.421 25.029 1.00 0.01 N ATOM 0 H ARG A 93 15.687 -6.283 19.613 1.00 0.01 H new ATOM 0 HA ARG A 93 17.200 -8.202 21.142 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.325 -7.169 21.267 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.014 -8.233 22.478 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.847 -6.569 22.897 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.160 -5.506 21.685 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.967 -5.554 23.038 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.849 -6.388 24.302 1.00 0.01 H new ATOM 0 HE ARG A 93 16.464 -4.139 23.787 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.101 -4.778 24.499 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.857 -3.242 25.338 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.153 -2.171 24.852 1.00 0.01 H new ATOM 0 HH22 ARG A 93 14.572 -1.777 25.536 1.00 0.01 H new ATOM 1442 N ASN A 94 14.761 -9.301 19.241 1.00 0.01 N ATOM 1443 CA ASN A 94 14.155 -10.545 18.688 1.00 0.01 C ATOM 1444 C ASN A 94 15.210 -11.372 17.940 1.00 0.01 C ATOM 1445 O ASN A 94 15.030 -12.550 17.717 1.00 0.01 O ATOM 1446 CB ASN A 94 13.031 -10.160 17.726 1.00 0.01 C ATOM 1447 CG ASN A 94 11.861 -9.579 18.522 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.733 -9.825 19.705 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.994 -8.807 17.922 1.00 0.01 N ATOM 0 H ASN A 94 14.407 -8.434 18.838 1.00 0.01 H new ATOM 0 HA ASN A 94 13.761 -11.147 19.507 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.391 -9.430 17.001 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.704 -11.034 17.162 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.213 -8.413 18.447 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.098 -8.598 16.929 1.00 0.01 H new ATOM 1456 N MET A 95 16.308 -10.777 17.553 1.00 0.01 N ATOM 1457 CA MET A 95 17.350 -11.560 16.822 1.00 0.01 C ATOM 1458 C MET A 95 17.809 -12.703 17.721 1.00 0.01 C ATOM 1459 O MET A 95 18.123 -13.782 17.263 1.00 0.01 O ATOM 1460 CB MET A 95 18.543 -10.662 16.492 1.00 0.01 C ATOM 1461 CG MET A 95 18.043 -9.405 15.782 1.00 0.01 C ATOM 1462 SD MET A 95 17.195 -9.859 14.244 1.00 0.01 S ATOM 1463 CE MET A 95 18.504 -9.384 13.089 1.00 0.01 C ATOM 0 H MET A 95 16.528 -9.793 17.709 1.00 0.01 H new ATOM 0 HA MET A 95 16.936 -11.950 15.892 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.074 -10.392 17.405 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.251 -11.196 15.858 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.364 -8.855 16.433 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.881 -8.743 15.564 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.101 -9.348 12.077 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.890 -8.402 13.361 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.311 -10.116 13.132 1.00 0.01 H new ATOM 1473 N LEU A 96 17.836 -12.473 19.004 1.00 0.01 N ATOM 1474 CA LEU A 96 18.255 -13.549 19.942 1.00 0.01 C ATOM 1475 C LEU A 96 17.209 -14.664 19.875 1.00 0.01 C ATOM 1476 O LEU A 96 17.487 -15.816 20.140 1.00 0.01 O ATOM 1477 CB LEU A 96 18.326 -12.985 21.365 1.00 0.01 C ATOM 1478 CG LEU A 96 19.272 -11.776 21.403 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.283 -11.189 22.819 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.696 -12.207 21.014 1.00 0.01 C ATOM 0 H LEU A 96 17.586 -11.587 19.443 1.00 0.01 H new ATOM 0 HA LEU A 96 19.237 -13.937 19.670 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.331 -12.690 21.698 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.677 -13.754 22.053 1.00 0.01 H new ATOM 0 HG LEU A 96 18.924 -11.025 20.694 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.953 -10.330 22.852 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.275 -10.873 23.090 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.628 -11.945 23.524 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.359 -11.342 21.044 1.00 0.01 H new ATOM 0 HD22 LEU A 96 21.052 -12.962 21.715 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.688 -12.623 20.007 1.00 0.01 H new ATOM 1492 N GLU A 97 16.005 -14.315 19.504 1.00 0.01 N ATOM 1493 CA GLU A 97 14.911 -15.323 19.389 1.00 0.01 C ATOM 1494 C GLU A 97 14.011 -14.928 18.209 1.00 0.01 C ATOM 1495 O GLU A 97 12.959 -14.350 18.398 1.00 0.01 O ATOM 1496 CB GLU A 97 14.078 -15.321 20.675 1.00 0.01 C ATOM 1497 CG GLU A 97 13.061 -16.465 20.632 1.00 0.01 C ATOM 1498 CD GLU A 97 13.794 -17.807 20.695 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.359 -18.103 21.736 1.00 0.01 O ATOM 1500 OE2 GLU A 97 13.778 -18.515 19.702 1.00 0.01 O ATOM 0 H GLU A 97 15.730 -13.360 19.273 1.00 0.01 H new ATOM 0 HA GLU A 97 15.332 -16.316 19.232 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.729 -15.433 21.542 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.562 -14.367 20.784 1.00 0.01 H new ATOM 0 HG2 GLU A 97 12.366 -16.379 21.468 1.00 0.01 H new ATOM 0 HG3 GLU A 97 12.469 -16.405 19.718 1.00 0.01 H new ATOM 1507 N PRO A 98 14.421 -15.221 16.993 1.00 0.01 N ATOM 1508 CA PRO A 98 13.612 -14.857 15.793 1.00 0.01 C ATOM 1509 C PRO A 98 12.236 -15.543 15.783 1.00 0.01 C ATOM 1510 O PRO A 98 12.134 -16.750 15.699 1.00 0.01 O ATOM 1511 CB PRO A 98 14.506 -15.344 14.630 1.00 0.00 C ATOM 1512 CG PRO A 98 15.877 -15.732 15.214 1.00 0.01 C ATOM 1513 CD PRO A 98 15.706 -15.926 16.728 1.00 0.01 C ATOM 0 HA PRO A 98 13.374 -13.794 15.745 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.049 -16.198 14.130 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.619 -14.560 13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.244 -16.648 14.751 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.613 -14.954 15.009 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.655 -16.980 17.000 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.532 -15.491 17.290 1.00 0.01 H new ATOM 1521 N THR A 99 11.181 -14.767 15.865 1.00 0.01 N ATOM 1522 CA THR A 99 9.795 -15.340 15.861 1.00 0.01 C ATOM 1523 C THR A 99 9.049 -14.852 14.620 1.00 0.01 C ATOM 1524 O THR A 99 9.503 -13.973 13.917 1.00 0.01 O ATOM 1525 CB THR A 99 9.037 -14.860 17.103 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.060 -13.441 17.152 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.690 -15.429 18.362 1.00 0.00 C ATOM 0 H THR A 99 11.221 -13.750 15.935 1.00 0.01 H new ATOM 0 HA THR A 99 9.858 -16.428 15.860 1.00 0.01 H new ATOM 0 HB THR A 99 8.004 -15.205 17.050 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.145 -13.102 17.237 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.146 -15.084 19.242 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.665 -16.518 18.324 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.725 -15.091 18.420 1.00 0.00 H new ATOM 1535 N ILE A 100 7.903 -15.409 14.352 1.00 0.00 N ATOM 1536 CA ILE A 100 7.124 -14.968 13.164 1.00 0.01 C ATOM 1537 C ILE A 100 6.532 -13.583 13.444 1.00 0.01 C ATOM 1538 O ILE A 100 6.161 -12.858 12.544 1.00 0.01 O ATOM 1539 CB ILE A 100 6.005 -15.979 12.885 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.373 -15.694 11.513 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.927 -15.872 13.968 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.346 -16.042 10.374 1.00 0.01 C ATOM 0 H ILE A 100 7.472 -16.151 14.904 1.00 0.00 H new ATOM 0 HA ILE A 100 7.772 -14.912 12.289 1.00 0.01 H new ATOM 0 HB ILE A 100 6.428 -16.983 12.889 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.457 -16.274 11.403 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.094 -14.642 11.449 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.135 -16.592 13.765 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.368 -16.083 14.942 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.510 -14.865 13.968 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.874 -15.831 9.415 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.251 -15.442 10.473 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.604 -17.100 10.426 1.00 0.01 H new ATOM 1554 N THR A 101 6.433 -13.214 14.697 1.00 0.00 N ATOM 1555 CA THR A 101 5.860 -11.881 15.050 1.00 0.01 C ATOM 1556 C THR A 101 6.985 -10.860 15.228 1.00 0.01 C ATOM 1557 O THR A 101 6.757 -9.731 15.614 1.00 0.01 O ATOM 1558 CB THR A 101 5.073 -11.995 16.358 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.935 -12.463 17.385 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.911 -12.972 16.177 1.00 0.01 C ATOM 0 H THR A 101 6.726 -13.781 15.492 1.00 0.00 H new ATOM 0 HA THR A 101 5.199 -11.554 14.248 1.00 0.01 H new ATOM 0 HB THR A 101 4.678 -11.017 16.631 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.434 -12.536 18.224 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.353 -13.051 17.110 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.251 -12.610 15.389 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.300 -13.953 15.903 1.00 0.01 H new ATOM 1568 N CYS A 102 8.200 -11.245 14.958 1.00 0.00 N ATOM 1569 CA CYS A 102 9.334 -10.294 15.121 1.00 0.00 C ATOM 1570 C CYS A 102 9.151 -9.081 14.200 1.00 0.01 C ATOM 1571 O CYS A 102 9.285 -7.950 14.620 1.00 0.01 O ATOM 1572 CB CYS A 102 10.643 -11.003 14.774 1.00 0.00 C ATOM 1573 SG CYS A 102 11.991 -9.799 14.750 1.00 0.01 S ATOM 0 H CYS A 102 8.457 -12.177 14.632 1.00 0.00 H new ATOM 0 HA CYS A 102 9.361 -9.950 16.155 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.851 -11.784 15.505 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.559 -11.490 13.803 1.00 0.00 H new ATOM 0 HG CYS A 102 12.382 -9.610 13.525 1.00 0.01 H new ATOM 1579 N PHE A 103 8.865 -9.306 12.940 1.00 0.00 N ATOM 1580 CA PHE A 103 8.694 -8.161 11.987 1.00 0.01 C ATOM 1581 C PHE A 103 7.214 -7.797 11.826 1.00 0.01 C ATOM 1582 O PHE A 103 6.882 -6.795 11.223 1.00 0.00 O ATOM 1583 CB PHE A 103 9.264 -8.557 10.624 1.00 0.00 C ATOM 1584 CG PHE A 103 10.769 -8.646 10.715 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.366 -9.783 11.266 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.567 -7.596 10.241 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.761 -9.873 11.350 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.962 -7.686 10.325 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.560 -8.825 10.879 1.00 0.00 C ATOM 0 H PHE A 103 8.742 -10.232 12.530 1.00 0.00 H new ATOM 0 HA PHE A 103 9.223 -7.295 12.385 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.851 -9.515 10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.977 -7.823 9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.751 -10.594 11.628 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.107 -6.718 9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.220 -10.752 11.778 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.578 -6.876 9.962 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.636 -8.894 10.943 1.00 0.00 H new ATOM 1599 N ASP A 104 6.318 -8.584 12.353 1.00 0.01 N ATOM 1600 CA ASP A 104 4.875 -8.242 12.205 1.00 0.01 C ATOM 1601 C ASP A 104 4.623 -6.878 12.845 1.00 0.00 C ATOM 1602 O ASP A 104 3.878 -6.066 12.334 1.00 0.01 O ATOM 1603 CB ASP A 104 4.009 -9.289 12.902 1.00 0.01 C ATOM 1604 CG ASP A 104 4.080 -10.607 12.127 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.665 -10.610 11.057 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.540 -11.586 12.611 1.00 0.00 O ATOM 0 H ASP A 104 6.518 -9.438 12.873 1.00 0.01 H new ATOM 0 HA ASP A 104 4.618 -8.218 11.146 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.352 -9.438 13.926 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.977 -8.943 12.959 1.00 0.01 H new ATOM 1611 N GLU A 105 5.243 -6.625 13.964 1.00 0.00 N ATOM 1612 CA GLU A 105 5.050 -5.320 14.654 1.00 0.00 C ATOM 1613 C GLU A 105 5.507 -4.191 13.735 1.00 0.00 C ATOM 1614 O GLU A 105 4.897 -3.141 13.671 1.00 0.01 O ATOM 1615 CB GLU A 105 5.888 -5.296 15.934 1.00 0.00 C ATOM 1616 CG GLU A 105 5.287 -6.265 16.951 1.00 0.00 C ATOM 1617 CD GLU A 105 6.186 -6.342 18.186 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.193 -5.654 18.206 1.00 0.01 O ATOM 1619 OE2 GLU A 105 5.851 -7.087 19.092 1.00 0.00 O ATOM 0 H GLU A 105 5.879 -7.270 14.432 1.00 0.00 H new ATOM 0 HA GLU A 105 3.996 -5.190 14.901 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.918 -5.576 15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.913 -4.287 16.347 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.289 -5.934 17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.180 -7.254 16.506 1.00 0.00 H new ATOM 1626 N ALA A 106 6.578 -4.395 13.022 1.00 0.00 N ATOM 1627 CA ALA A 106 7.073 -3.330 12.113 1.00 0.00 C ATOM 1628 C ALA A 106 6.064 -3.131 10.984 1.00 0.00 C ATOM 1629 O ALA A 106 5.725 -2.018 10.639 1.00 0.00 O ATOM 1630 CB ALA A 106 8.424 -3.747 11.530 1.00 0.00 C ATOM 0 H ALA A 106 7.130 -5.252 13.030 1.00 0.00 H new ATOM 0 HA ALA A 106 7.193 -2.398 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.789 -2.966 10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.139 -3.896 12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.308 -4.676 10.972 1.00 0.00 H new ATOM 1636 N GLN A 107 5.563 -4.193 10.414 1.00 0.00 N ATOM 1637 CA GLN A 107 4.562 -4.028 9.324 1.00 0.00 C ATOM 1638 C GLN A 107 3.348 -3.276 9.863 1.00 0.00 C ATOM 1639 O GLN A 107 2.799 -2.413 9.207 1.00 0.00 O ATOM 1640 CB GLN A 107 4.116 -5.391 8.797 1.00 0.00 C ATOM 1641 CG GLN A 107 3.087 -5.171 7.684 1.00 0.00 C ATOM 1642 CD GLN A 107 2.821 -6.486 6.952 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.738 -7.031 7.030 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.775 -7.027 6.244 1.00 0.00 N ATOM 0 H GLN A 107 5.800 -5.156 10.652 1.00 0.00 H new ATOM 0 HA GLN A 107 5.019 -3.466 8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.972 -5.948 8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.682 -5.984 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.159 -4.786 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.453 -4.422 6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.684 -6.569 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.611 -7.908 5.756 1.00 0.00 H new ATOM 1653 N LYS A 108 2.919 -3.597 11.054 1.00 0.00 N ATOM 1654 CA LYS A 108 1.738 -2.895 11.625 1.00 0.00 C ATOM 1655 C LYS A 108 2.055 -1.407 11.714 1.00 0.00 C ATOM 1656 O LYS A 108 1.227 -0.566 11.427 1.00 0.00 O ATOM 1657 CB LYS A 108 1.435 -3.451 13.019 1.00 0.00 C ATOM 1658 CG LYS A 108 0.204 -2.752 13.603 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.091 -3.317 14.991 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.358 -2.667 15.545 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.527 -3.058 14.704 1.00 0.00 N ATOM 0 H LYS A 108 3.334 -4.311 11.652 1.00 0.00 H new ATOM 0 HA LYS A 108 0.865 -3.048 10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.261 -4.525 12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.293 -3.302 13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.378 -1.678 13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.655 -2.899 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.218 -4.398 14.936 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.750 -3.128 15.659 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.518 -2.979 16.577 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.249 -1.582 15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.403 -2.947 15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.568 -2.449 13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.426 -4.050 14.410 1.00 0.00 H new ATOM 1675 N LYS A 109 3.256 -1.078 12.095 1.00 0.01 N ATOM 1676 CA LYS A 109 3.632 0.355 12.185 1.00 0.00 C ATOM 1677 C LYS A 109 3.628 0.942 10.776 1.00 0.00 C ATOM 1678 O LYS A 109 3.173 2.049 10.558 1.00 0.00 O ATOM 1679 CB LYS A 109 5.025 0.493 12.814 1.00 0.00 C ATOM 1680 CG LYS A 109 4.993 0.010 14.274 1.00 0.00 C ATOM 1681 CD LYS A 109 4.329 1.061 15.177 1.00 0.01 C ATOM 1682 CE LYS A 109 4.541 0.679 16.641 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.972 0.885 17.003 1.00 0.01 N ATOM 0 H LYS A 109 3.991 -1.739 12.347 1.00 0.01 H new ATOM 0 HA LYS A 109 2.920 0.891 12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.749 -0.090 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.350 1.533 12.773 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.447 -0.931 14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.008 -0.186 14.620 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.754 2.045 14.981 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.263 1.125 14.957 1.00 0.01 H new ATOM 0 HE2 LYS A 109 3.901 1.285 17.283 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.260 -0.362 16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.325 0.050 17.512 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.532 1.025 16.138 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 6.059 1.724 17.612 1.00 0.01 H new ATOM 1697 N ILE A 110 4.103 0.202 9.807 1.00 0.00 N ATOM 1698 CA ILE A 110 4.090 0.725 8.414 1.00 0.00 C ATOM 1699 C ILE A 110 2.633 0.844 7.971 1.00 0.00 C ATOM 1700 O ILE A 110 2.226 1.843 7.415 1.00 0.00 O ATOM 1701 CB ILE A 110 4.834 -0.245 7.484 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.333 -0.289 7.857 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.651 0.183 6.012 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.983 1.101 7.734 1.00 0.00 C ATOM 0 H ILE A 110 4.495 -0.733 9.921 1.00 0.00 H new ATOM 0 HA ILE A 110 4.584 1.696 8.370 1.00 0.00 H new ATOM 0 HB ILE A 110 4.417 -1.245 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.445 -0.656 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.851 -0.994 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.183 -0.512 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.591 0.176 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.050 1.188 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.037 1.035 8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.892 1.455 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.480 1.798 8.404 1.00 0.00 H new ATOM 1716 N PHE A 111 1.837 -0.161 8.235 1.00 0.00 N ATOM 1717 CA PHE A 111 0.403 -0.088 7.846 1.00 0.00 C ATOM 1718 C PHE A 111 -0.242 1.108 8.556 1.00 0.00 C ATOM 1719 O PHE A 111 -0.888 1.926 7.943 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.305 -1.402 8.268 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.533 -2.292 7.063 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.516 -2.540 6.173 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.797 -2.856 6.833 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.306 -3.346 5.052 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.006 -3.665 5.711 1.00 0.00 C ATOM 1726 CZ PHE A 111 -0.958 -3.910 4.819 1.00 0.00 C ATOM 0 H PHE A 111 2.119 -1.023 8.701 1.00 0.00 H new ATOM 0 HA PHE A 111 0.309 0.038 6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.301 -1.928 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.259 -1.172 8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.489 -2.108 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.607 -2.666 7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.117 -3.535 4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.978 -4.101 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.121 -4.533 3.952 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.075 1.217 9.843 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.689 2.368 10.561 1.00 0.00 C ATOM 1738 C ASN A 112 -0.072 3.675 10.067 1.00 0.00 C ATOM 1739 O ASN A 112 -0.758 4.656 9.878 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.458 2.223 12.068 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.331 1.089 12.608 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -0.891 0.298 13.418 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.561 0.976 12.186 1.00 0.00 N ATOM 0 H ASN A 112 0.454 0.567 10.424 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.761 2.381 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.593 2.015 12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.700 3.157 12.576 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.153 0.223 12.536 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.930 1.641 11.506 1.00 0.00 H new ATOM 1750 N LEU A 113 1.214 3.700 9.855 1.00 0.00 N ATOM 1751 CA LEU A 113 1.859 4.955 9.377 1.00 0.00 C ATOM 1752 C LEU A 113 1.300 5.334 8.005 1.00 0.00 C ATOM 1753 O LEU A 113 0.770 6.411 7.818 1.00 0.00 O ATOM 1754 CB LEU A 113 3.375 4.738 9.279 1.00 0.00 C ATOM 1755 CG LEU A 113 4.047 5.938 8.596 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.640 7.242 9.296 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.564 5.764 8.676 1.00 0.00 C ATOM 0 H LEU A 113 1.844 2.910 9.991 1.00 0.00 H new ATOM 0 HA LEU A 113 1.651 5.762 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.793 4.598 10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.582 3.828 8.716 1.00 0.00 H new ATOM 0 HG LEU A 113 3.731 5.988 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.123 8.086 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.558 7.361 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.950 7.206 10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.053 6.610 8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.870 5.715 9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.852 4.842 8.170 1.00 0.00 H new ATOM 1769 N MET A 114 1.413 4.461 7.046 1.00 0.00 N ATOM 1770 CA MET A 114 0.889 4.776 5.691 1.00 0.00 C ATOM 1771 C MET A 114 -0.638 4.884 5.742 1.00 0.00 C ATOM 1772 O MET A 114 -1.227 5.744 5.119 1.00 0.00 O ATOM 1773 CB MET A 114 1.324 3.680 4.708 1.00 0.00 C ATOM 1774 CG MET A 114 0.594 2.363 5.011 1.00 0.00 C ATOM 1775 SD MET A 114 1.642 0.966 4.524 1.00 0.00 S ATOM 1776 CE MET A 114 1.632 1.273 2.742 1.00 0.00 C ATOM 0 H MET A 114 1.846 3.542 7.142 1.00 0.00 H new ATOM 0 HA MET A 114 1.292 5.730 5.351 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.110 3.994 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.401 3.529 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.358 2.302 6.073 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.353 2.327 4.472 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.960 0.376 2.216 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.622 1.532 2.423 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.308 2.096 2.511 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.285 4.023 6.484 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.773 4.088 6.573 1.00 0.00 C ATOM 1788 C GLU A 115 -3.185 5.374 7.302 1.00 0.00 C ATOM 1789 O GLU A 115 -4.147 6.015 6.952 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.302 2.874 7.343 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.833 2.887 7.339 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.353 1.672 8.110 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.552 0.811 8.433 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.546 1.625 8.367 1.00 0.00 O ATOM 0 H GLU A 115 -0.849 3.280 7.030 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.193 4.086 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.935 1.954 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.931 2.892 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.201 3.806 7.795 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.205 2.868 6.315 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.481 5.748 8.329 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.858 6.991 9.068 1.00 0.00 C ATOM 1803 C LYS A 116 -2.289 8.227 8.366 1.00 0.01 C ATOM 1804 O LYS A 116 -2.609 9.343 8.724 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.309 6.926 10.499 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.894 5.709 11.242 1.00 0.00 C ATOM 1807 CD LYS A 116 -4.262 6.062 11.843 1.00 0.00 C ATOM 1808 CE LYS A 116 -4.937 4.791 12.356 1.00 0.00 C ATOM 1809 NZ LYS A 116 -5.364 3.951 11.202 1.00 0.00 N ATOM 0 H LYS A 116 -1.665 5.254 8.691 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.945 7.065 9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.221 6.858 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.560 7.842 11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.996 4.869 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.212 5.394 12.032 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.140 6.776 12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -4.889 6.541 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.249 4.232 12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.800 5.048 12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.122 3.306 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.714 4.563 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.554 3.396 10.858 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.423 8.045 7.392 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.806 9.227 6.695 1.00 0.00 C ATOM 1825 C ASP A 117 -1.088 9.203 5.188 1.00 0.00 C ATOM 1826 O ASP A 117 -1.599 10.154 4.632 1.00 0.00 O ATOM 1827 CB ASP A 117 0.710 9.185 6.913 1.00 0.00 C ATOM 1828 CG ASP A 117 1.333 10.498 6.438 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.686 11.200 5.679 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.448 10.783 6.845 1.00 0.00 O ATOM 0 H ASP A 117 -1.117 7.134 7.050 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.240 10.137 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.932 9.027 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.143 8.347 6.367 1.00 0.00 H new ATOM 1835 N SER A 118 -0.724 8.151 4.512 1.00 0.00 N ATOM 1836 CA SER A 118 -0.936 8.110 3.036 1.00 0.00 C ATOM 1837 C SER A 118 -2.425 8.125 2.675 1.00 0.00 C ATOM 1838 O SER A 118 -2.819 8.779 1.741 1.00 0.01 O ATOM 1839 CB SER A 118 -0.296 6.846 2.466 1.00 0.00 C ATOM 1840 OG SER A 118 -1.127 5.729 2.754 1.00 0.00 O ATOM 0 H SER A 118 -0.290 7.320 4.914 1.00 0.00 H new ATOM 0 HA SER A 118 -0.474 8.999 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.162 6.946 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.694 6.699 2.898 1.00 0.00 H new ATOM 0 HG SER A 118 -1.365 5.735 3.705 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.250 7.406 3.383 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.708 7.377 3.032 1.00 0.00 C ATOM 1848 C TYR A 119 -5.301 8.788 3.044 1.00 0.01 C ATOM 1849 O TYR A 119 -5.972 9.190 2.114 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.448 6.489 4.052 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.891 5.195 3.413 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.985 4.442 2.659 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.208 4.758 3.572 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.401 3.250 2.063 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.619 3.565 2.977 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.714 2.813 2.223 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.127 1.645 1.629 1.00 0.00 O ATOM 0 H TYR A 119 -2.985 6.837 4.187 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.824 6.971 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.794 6.277 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.314 7.022 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.967 4.782 2.538 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.906 5.342 4.154 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.705 2.667 1.478 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.636 3.223 3.099 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.080 1.709 1.409 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.075 9.541 4.076 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.653 10.909 4.106 1.00 0.01 C ATOM 1869 C ARG A 120 -5.093 11.667 2.910 1.00 0.00 C ATOM 1870 O ARG A 120 -5.796 12.371 2.213 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.229 11.613 5.401 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.876 10.931 6.620 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.361 11.309 6.748 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.540 12.787 6.575 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.897 13.648 7.319 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.226 13.247 8.365 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.964 14.920 7.037 1.00 0.01 N ATOM 0 H ARG A 120 -4.523 9.275 4.891 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.742 10.871 4.065 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.143 11.589 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.523 12.662 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.780 9.849 6.527 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.345 11.222 7.526 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.945 10.775 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.738 11.002 7.723 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.180 13.130 5.858 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -6.201 12.256 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.727 13.925 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.516 15.237 6.240 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -6.465 15.597 7.614 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.835 11.487 2.648 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.214 12.151 1.479 1.00 0.01 C ATOM 1893 C ARG A 121 -3.748 11.510 0.197 1.00 0.01 C ATOM 1894 O ARG A 121 -3.983 12.180 -0.780 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.697 11.987 1.549 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.116 12.829 2.698 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.983 14.299 2.273 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.207 15.038 3.307 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.287 16.215 3.033 1.00 0.01 C ATOM 1900 NH1 ARG A 121 0.093 16.746 1.860 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.969 16.865 3.936 1.00 0.01 N ATOM 0 H ARG A 121 -3.205 10.903 3.199 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.459 13.213 1.482 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.445 10.937 1.697 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.248 12.292 0.604 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.761 12.754 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.140 12.438 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.482 14.367 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.970 14.746 2.153 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.062 14.625 4.228 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.445 16.242 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.479 17.666 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.117 16.454 4.858 1.00 0.01 H new ATOM 0 HH22 ARG A 121 1.354 17.784 3.720 1.00 0.01 H new ATOM 1915 N PHE A 122 -3.922 10.212 0.185 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.417 9.535 -1.045 1.00 0.01 C ATOM 1917 C PHE A 122 -5.773 10.116 -1.432 1.00 0.01 C ATOM 1918 O PHE A 122 -5.992 10.485 -2.559 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.561 8.020 -0.773 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.126 7.236 -1.979 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.767 7.080 -2.213 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.064 6.674 -2.852 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.329 6.360 -3.322 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.627 5.950 -3.967 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.256 5.792 -4.203 1.00 0.00 C ATOM 0 H PHE A 122 -3.741 9.594 0.976 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.710 9.692 -1.860 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.958 7.739 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.597 7.783 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.049 7.517 -1.535 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.121 6.798 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.271 6.240 -3.502 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.346 5.514 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.915 5.234 -5.062 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.679 10.209 -0.506 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.012 10.769 -0.843 1.00 0.00 C ATOM 1937 C LEU A 123 -7.815 12.189 -1.365 1.00 0.01 C ATOM 1938 O LEU A 123 -8.487 12.631 -2.277 1.00 0.00 O ATOM 1939 CB LEU A 123 -8.891 10.788 0.411 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.077 9.359 0.938 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.883 9.401 2.242 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.812 8.498 -0.110 1.00 0.01 C ATOM 0 H LEU A 123 -6.556 9.923 0.465 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.501 10.158 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.432 11.411 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.861 11.229 0.180 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.100 8.915 1.129 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.017 8.387 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.347 9.996 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.858 9.850 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.939 7.486 0.275 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.790 8.933 -0.317 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.227 8.466 -1.029 1.00 0.01 H new ATOM 1954 N LYS A 124 -6.889 12.907 -0.792 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.629 14.304 -1.245 1.00 0.01 C ATOM 1956 C LYS A 124 -5.561 14.305 -2.349 1.00 0.01 C ATOM 1957 O LYS A 124 -5.242 15.336 -2.908 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.126 15.113 -0.052 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.193 15.103 1.042 1.00 0.01 C ATOM 1960 CD LYS A 124 -6.703 15.910 2.244 1.00 0.01 C ATOM 1961 CE LYS A 124 -7.736 15.831 3.368 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.815 14.428 3.869 1.00 0.01 N ATOM 0 H LYS A 124 -6.298 12.585 -0.026 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.546 14.742 -1.640 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.196 14.688 0.326 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.908 16.137 -0.356 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.122 15.527 0.661 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.410 14.078 1.343 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -5.744 15.522 2.589 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.542 16.949 1.956 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.459 16.504 4.180 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.711 16.155 3.004 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.385 14.401 4.738 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.258 13.826 3.146 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -6.857 14.078 4.072 1.00 0.01 H new ATOM 1976 N SER A 125 -4.996 13.168 -2.662 1.00 0.00 N ATOM 1977 CA SER A 125 -3.942 13.128 -3.718 1.00 0.01 C ATOM 1978 C SER A 125 -4.584 13.293 -5.096 1.00 0.01 C ATOM 1979 O SER A 125 -5.761 13.055 -5.280 1.00 0.01 O ATOM 1980 CB SER A 125 -3.194 11.794 -3.664 1.00 0.01 C ATOM 1981 OG SER A 125 -4.099 10.732 -3.933 1.00 0.01 O ATOM 0 H SER A 125 -5.218 12.269 -2.234 1.00 0.00 H new ATOM 0 HA SER A 125 -3.238 13.942 -3.543 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.384 11.789 -4.393 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.740 11.659 -2.682 1.00 0.01 H new ATOM 0 HG SER A 125 -4.933 10.880 -3.440 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.812 13.709 -6.059 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.355 13.904 -7.430 1.00 0.01 C ATOM 1989 C ARG A 126 -4.803 12.564 -8.024 1.00 0.00 C ATOM 1990 O ARG A 126 -5.807 12.484 -8.702 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.263 14.499 -8.319 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.868 14.922 -9.658 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.744 15.281 -10.623 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.834 16.270 -9.985 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.636 16.453 -10.464 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.237 15.771 -11.504 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.164 17.317 -9.904 1.00 0.01 N ATOM 0 H ARG A 126 -2.820 13.924 -5.954 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.212 14.575 -7.378 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.807 15.358 -7.827 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -2.472 13.767 -8.481 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -4.473 14.114 -10.069 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -4.530 15.776 -9.518 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -2.188 14.385 -10.898 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -3.159 15.694 -11.543 1.00 0.01 H new ATOM 0 HE ARG A 126 -2.147 16.804 -9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.863 15.095 -11.941 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.701 15.914 -11.879 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -0.148 17.849 -9.092 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.102 17.461 -10.278 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.054 11.519 -7.800 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.428 10.196 -8.385 1.00 0.01 C ATOM 2013 C PHE A 127 -5.819 9.776 -7.908 1.00 0.01 C ATOM 2014 O PHE A 127 -6.663 9.407 -8.695 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.406 9.141 -7.951 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.102 9.372 -8.677 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.136 10.222 -8.126 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.857 8.730 -9.896 1.00 0.01 C ATOM 2019 CE1 PHE A 127 0.075 10.429 -8.797 1.00 0.00 C ATOM 2020 CE2 PHE A 127 -0.647 8.938 -10.568 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.320 9.789 -10.017 1.00 0.00 C ATOM 0 H PHE A 127 -3.202 11.522 -7.239 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.437 10.282 -9.472 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.249 9.194 -6.874 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.784 8.142 -8.169 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.325 10.717 -7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -2.603 8.073 -10.319 1.00 0.01 H new ATOM 0 HE1 PHE A 127 0.822 11.084 -8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.459 8.443 -11.510 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.254 9.951 -10.534 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.076 9.826 -6.636 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.422 9.418 -6.147 1.00 0.01 C ATOM 2033 C TYR A 128 -8.486 10.312 -6.785 1.00 0.01 C ATOM 2034 O TYR A 128 -9.505 9.841 -7.252 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.472 9.562 -4.630 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.809 9.098 -4.102 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.997 7.754 -3.749 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.858 10.013 -3.953 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.235 7.328 -3.246 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.095 9.587 -3.453 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.283 8.244 -3.098 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.504 7.825 -2.601 1.00 0.01 O ATOM 0 H TYR A 128 -5.420 10.129 -5.916 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.613 8.380 -6.419 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.672 8.978 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.305 10.602 -4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.189 7.047 -3.864 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.713 11.048 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.380 6.293 -2.973 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.904 10.293 -3.341 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.120 8.586 -2.561 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.263 11.596 -6.802 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.270 12.513 -7.406 1.00 0.01 C ATOM 2054 C LEU A 129 -9.474 12.160 -8.884 1.00 0.01 C ATOM 2055 O LEU A 129 -10.585 11.982 -9.338 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.771 13.956 -7.301 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.751 14.417 -5.836 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.017 15.760 -5.751 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.186 14.581 -5.298 1.00 0.01 C ATOM 0 H LEU A 129 -7.430 12.049 -6.425 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.215 12.407 -6.873 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.770 14.032 -7.725 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.415 14.613 -7.886 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.240 13.667 -5.232 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.996 16.098 -4.715 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.996 15.640 -6.114 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.536 16.498 -6.363 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.150 14.908 -4.259 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.715 15.324 -5.894 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.709 13.627 -5.360 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.415 12.052 -9.643 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.578 11.704 -11.084 1.00 0.91 C ATOM 2073 C ASP A 130 -9.256 10.339 -11.207 1.00 1.05 C ATOM 2074 O ASP A 130 -10.157 10.151 -12.000 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.207 11.657 -11.762 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.645 13.074 -11.878 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.430 14.008 -11.818 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -5.442 13.202 -12.028 1.00 3.77 O ATOM 0 H ASP A 130 -7.454 12.188 -9.331 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.194 12.461 -11.570 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.526 11.031 -11.186 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.294 11.207 -12.751 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.824 9.386 -10.426 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.435 8.029 -10.494 1.00 1.68 C ATOM 2085 C LEU A 131 -10.858 8.081 -9.930 1.00 2.00 C ATOM 2086 O LEU A 131 -11.765 7.466 -10.454 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.587 7.052 -9.672 1.00 2.07 C ATOM 2088 CG LEU A 131 -7.193 6.911 -10.304 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.300 6.089 -9.366 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -7.290 6.222 -11.681 1.00 3.54 C ATOM 0 H LEU A 131 -8.073 9.490 -9.743 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.472 7.694 -11.530 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.497 7.409 -8.646 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.077 6.079 -9.629 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.762 7.902 -10.449 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.309 5.984 -9.807 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.218 6.596 -8.405 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.738 5.102 -9.219 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -6.294 6.131 -12.113 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.726 5.230 -11.562 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.919 6.818 -12.342 1.00 3.54 H new ATOM 2102 N THR A 132 -11.064 8.820 -8.870 1.00 2.68 N ATOM 2103 CA THR A 132 -12.429 8.924 -8.273 1.00 3.30 C ATOM 2104 C THR A 132 -13.101 10.197 -8.771 1.00 3.72 C ATOM 2105 O THR A 132 -13.372 11.109 -8.014 1.00 3.94 O ATOM 2106 CB THR A 132 -12.319 8.979 -6.744 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.698 10.199 -6.362 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.479 7.797 -6.223 1.00 4.63 C ATOM 0 H THR A 132 -10.342 9.358 -8.391 1.00 2.68 H new ATOM 0 HA THR A 132 -13.019 8.055 -8.566 1.00 3.30 H new ATOM 0 HB THR A 132 -13.319 8.918 -6.316 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.778 10.022 -6.076 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.410 7.850 -5.136 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.953 6.859 -6.511 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.478 7.845 -6.653 1.00 4.63 H new