USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 51 TYR OH : rot -117:sc= 2.16 USER MOD Set 1.2: A 63 THR OG1 : rot 77:sc= 1.02 USER MOD Set 2.1: A 16 SER OG : rot 42:sc= 0.707 USER MOD Set 2.2: A 20 GLN : amide:sc= -0.401 K(o=0.31,f=0.83) USER MOD Single : A 1 GLY N :NH3+ -142:sc= -0.188 (180deg=-1.62!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0707 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.8!) USER MOD Single : A 10 ASN : amide:sc= -0.0854 X(o=-0.085,f=-0.18) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.876 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 157:sc= 0.53 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -1.23 (180deg=-1.63) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.578 K(o=-0.58,f=-0.066) USER MOD Single : A 48 GLN : amide:sc= -0.6 K(o=-0.6,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -122:sc= -2.26 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= 0.319 K(o=0.32,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.132 K(o=-0.13,f=-4.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -7.54! C(o=-7.5!,f=-8.4!) USER MOD Single : A 74 THR OG1 : rot -81:sc= 0.471 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0497 K(o=-0.05,f=-5.7!) USER MOD Single : A 82 GLN : amide:sc=-0.00524 K(o=-0.0052,f=-0.7) USER MOD Single : A 83 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0014 (180deg=-0.0803) USER MOD Single : A 89 ASN : amide:sc= -0.0827 K(o=-0.083,f=-0.97) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00955 USER MOD Single : A 95 SER OG : rot 180:sc= 0.119 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.74) USER MOD Single : A 105 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.415 6.003 6.070 1.00 0.00 N ATOM 2 CA GLY A 1 -24.975 4.862 5.297 1.00 0.00 C ATOM 3 C GLY A 1 -24.654 3.519 5.928 1.00 0.00 C ATOM 4 O GLY A 1 -25.556 2.812 6.377 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.090 6.794 6.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.244 5.706 7.052 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.519 6.308 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.056 4.975 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.580 4.886 4.281 1.00 0.00 H new ATOM 10 N PRO A 2 -23.366 3.139 5.977 1.00 0.00 N ATOM 11 CA PRO A 2 -22.942 1.863 6.564 1.00 0.00 C ATOM 12 C PRO A 2 -23.490 1.663 7.973 1.00 0.00 C ATOM 13 O PRO A 2 -23.703 0.533 8.411 1.00 0.00 O ATOM 14 CB PRO A 2 -21.416 1.975 6.595 1.00 0.00 C ATOM 15 CG PRO A 2 -21.085 2.940 5.510 1.00 0.00 C ATOM 16 CD PRO A 2 -22.224 3.920 5.465 1.00 0.00 C ATOM 0 HA PRO A 2 -23.308 1.010 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.065 2.332 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.944 1.008 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.142 3.447 5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.972 2.429 4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.026 4.795 6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.405 4.280 4.452 1.00 0.00 H new ATOM 24 N GLY A 3 -23.714 2.768 8.677 1.00 0.00 N ATOM 25 CA GLY A 3 -24.234 2.692 10.029 1.00 0.00 C ATOM 26 C GLY A 3 -25.246 3.784 10.324 1.00 0.00 C ATOM 27 O GLY A 3 -25.494 4.650 9.485 1.00 0.00 O ATOM 0 H GLY A 3 -23.545 3.714 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -24.700 1.718 10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.409 2.765 10.737 1.00 0.00 H new ATOM 31 N SER A 4 -25.828 3.740 11.518 1.00 0.00 N ATOM 32 CA SER A 4 -26.817 4.733 11.921 1.00 0.00 C ATOM 33 C SER A 4 -26.573 5.195 13.353 1.00 0.00 C ATOM 34 O SER A 4 -25.683 4.687 14.036 1.00 0.00 O ATOM 35 CB SER A 4 -28.229 4.157 11.792 1.00 0.00 C ATOM 36 OG SER A 4 -29.207 5.174 11.918 1.00 0.00 O ATOM 0 H SER A 4 -25.632 3.029 12.222 1.00 0.00 H new ATOM 0 HA SER A 4 -26.721 5.594 11.260 1.00 0.00 H new ATOM 0 HB2 SER A 4 -28.337 3.662 10.827 1.00 0.00 H new ATOM 0 HB3 SER A 4 -28.387 3.399 12.559 1.00 0.00 H new ATOM 0 HG SER A 4 -30.101 4.781 11.830 1.00 0.00 H new ATOM 42 N LEU A 5 -27.366 6.162 13.802 1.00 0.00 N ATOM 43 CA LEU A 5 -27.235 6.693 15.153 1.00 0.00 C ATOM 44 C LEU A 5 -27.852 5.741 16.173 1.00 0.00 C ATOM 45 O LEU A 5 -29.066 5.537 16.193 1.00 0.00 O ATOM 46 CB LEU A 5 -27.901 8.070 15.247 1.00 0.00 C ATOM 47 CG LEU A 5 -26.978 9.204 15.697 1.00 0.00 C ATOM 48 CD1 LEU A 5 -27.348 10.504 14.996 1.00 0.00 C ATOM 49 CD2 LEU A 5 -27.041 9.374 17.207 1.00 0.00 C ATOM 0 H LEU A 5 -28.107 6.594 13.249 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.173 6.796 15.378 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -28.315 8.324 14.271 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -28.738 8.006 15.942 1.00 0.00 H new ATOM 0 HG LEU A 5 -25.955 8.946 15.422 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -26.681 11.299 15.328 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -27.251 10.376 13.918 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -28.377 10.768 15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -26.378 10.185 17.510 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -28.063 9.610 17.504 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -26.727 8.449 17.691 1.00 0.00 H new ATOM 61 N SER A 6 -27.006 5.161 17.019 1.00 0.00 N ATOM 62 CA SER A 6 -27.469 4.230 18.042 1.00 0.00 C ATOM 63 C SER A 6 -27.569 4.919 19.399 1.00 0.00 C ATOM 64 O SER A 6 -28.527 4.708 20.144 1.00 0.00 O ATOM 65 CB SER A 6 -26.523 3.031 18.136 1.00 0.00 C ATOM 66 OG SER A 6 -27.240 1.833 18.382 1.00 0.00 O ATOM 0 H SER A 6 -25.998 5.319 17.016 1.00 0.00 H new ATOM 0 HA SER A 6 -28.461 3.881 17.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.958 2.936 17.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.800 3.196 18.935 1.00 0.00 H new ATOM 0 HG SER A 6 -26.613 1.082 18.436 1.00 0.00 H new ATOM 72 N ASN A 7 -26.576 5.744 19.713 1.00 0.00 N ATOM 73 CA ASN A 7 -26.553 6.465 20.981 1.00 0.00 C ATOM 74 C ASN A 7 -25.702 7.726 20.874 1.00 0.00 C ATOM 75 O ASN A 7 -26.176 8.831 21.136 1.00 0.00 O ATOM 76 CB ASN A 7 -26.016 5.562 22.094 1.00 0.00 C ATOM 77 CG ASN A 7 -26.878 5.606 23.341 1.00 0.00 C ATOM 78 OD1 ASN A 7 -27.700 6.506 23.508 1.00 0.00 O ATOM 79 ND2 ASN A 7 -26.691 4.632 24.223 1.00 0.00 N ATOM 0 H ASN A 7 -25.777 5.930 19.107 1.00 0.00 H new ATOM 0 HA ASN A 7 -27.574 6.759 21.224 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -25.960 4.536 21.730 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -25.000 5.866 22.347 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -27.241 4.609 25.082 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -25.998 3.906 24.042 1.00 0.00 H new ATOM 86 N PHE A 8 -24.443 7.551 20.487 1.00 0.00 N ATOM 87 CA PHE A 8 -23.525 8.674 20.346 1.00 0.00 C ATOM 88 C PHE A 8 -22.380 8.326 19.400 1.00 0.00 C ATOM 89 O PHE A 8 -22.020 9.118 18.528 1.00 0.00 O ATOM 90 CB PHE A 8 -22.965 9.079 21.711 1.00 0.00 C ATOM 91 CG PHE A 8 -22.274 7.956 22.432 1.00 0.00 C ATOM 92 CD1 PHE A 8 -20.920 7.731 22.252 1.00 0.00 C ATOM 93 CD2 PHE A 8 -22.980 7.129 23.290 1.00 0.00 C ATOM 94 CE1 PHE A 8 -20.280 6.699 22.912 1.00 0.00 C ATOM 95 CE2 PHE A 8 -22.347 6.096 23.955 1.00 0.00 C ATOM 96 CZ PHE A 8 -20.995 5.880 23.766 1.00 0.00 C ATOM 0 H PHE A 8 -24.036 6.642 20.266 1.00 0.00 H new ATOM 0 HA PHE A 8 -24.081 9.512 19.925 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -22.262 9.901 21.577 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -23.779 9.453 22.332 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -20.357 8.370 21.588 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -24.037 7.293 23.441 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -19.224 6.533 22.761 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -22.908 5.458 24.622 1.00 0.00 H new ATOM 0 HZ PHE A 8 -20.498 5.073 24.284 1.00 0.00 H new ATOM 106 N ALA A 9 -21.811 7.138 19.579 1.00 0.00 N ATOM 107 CA ALA A 9 -20.705 6.684 18.742 1.00 0.00 C ATOM 108 C ALA A 9 -19.487 7.586 18.910 1.00 0.00 C ATOM 109 O ALA A 9 -19.589 8.692 19.438 1.00 0.00 O ATOM 110 CB ALA A 9 -21.132 6.635 17.283 1.00 0.00 C ATOM 0 H ALA A 9 -22.097 6.472 20.296 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.428 5.679 19.060 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.297 6.295 16.671 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.968 5.945 17.172 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.437 7.630 16.960 1.00 0.00 H new ATOM 116 N ASN A 10 -18.333 7.102 18.458 1.00 0.00 N ATOM 117 CA ASN A 10 -17.094 7.865 18.559 1.00 0.00 C ATOM 118 C ASN A 10 -16.353 7.875 17.226 1.00 0.00 C ATOM 119 O ASN A 10 -16.435 6.925 16.450 1.00 0.00 O ATOM 120 CB ASN A 10 -16.197 7.278 19.650 1.00 0.00 C ATOM 121 CG ASN A 10 -16.077 5.769 19.552 1.00 0.00 C ATOM 122 OD1 ASN A 10 -16.958 5.034 19.997 1.00 0.00 O ATOM 123 ND2 ASN A 10 -14.981 5.299 18.966 1.00 0.00 N ATOM 0 H ASN A 10 -18.231 6.187 18.019 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.348 8.892 18.821 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.205 7.724 19.579 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.597 7.545 20.628 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.845 4.293 18.871 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.276 5.945 18.611 1.00 0.00 H new ATOM 130 N VAL A 11 -15.629 8.961 16.967 1.00 0.00 N ATOM 131 CA VAL A 11 -14.874 9.098 15.727 1.00 0.00 C ATOM 132 C VAL A 11 -13.415 8.696 15.927 1.00 0.00 C ATOM 133 O VAL A 11 -12.505 9.340 15.406 1.00 0.00 O ATOM 134 CB VAL A 11 -14.930 10.542 15.192 1.00 0.00 C ATOM 135 CG1 VAL A 11 -14.346 10.615 13.789 1.00 0.00 C ATOM 136 CG2 VAL A 11 -16.359 11.062 15.209 1.00 0.00 C ATOM 0 H VAL A 11 -15.550 9.757 17.599 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.336 8.432 14.998 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.329 11.175 15.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.394 11.642 13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.307 10.286 13.810 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.918 9.969 13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.379 12.083 14.828 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.984 10.428 14.581 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.739 11.049 16.231 1.00 0.00 H new ATOM 146 N GLY A 12 -13.201 7.625 16.686 1.00 0.00 N ATOM 147 CA GLY A 12 -11.851 7.155 16.941 1.00 0.00 C ATOM 148 C GLY A 12 -11.536 7.073 18.422 1.00 0.00 C ATOM 149 O GLY A 12 -11.998 7.899 19.208 1.00 0.00 O ATOM 0 H GLY A 12 -13.937 7.075 17.128 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.721 6.171 16.490 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.139 7.824 16.458 1.00 0.00 H new ATOM 153 N VAL A 13 -10.748 6.074 18.802 1.00 0.00 N ATOM 154 CA VAL A 13 -10.371 5.886 20.198 1.00 0.00 C ATOM 155 C VAL A 13 -8.906 6.238 20.424 1.00 0.00 C ATOM 156 O VAL A 13 -8.021 5.728 19.735 1.00 0.00 O ATOM 157 CB VAL A 13 -10.615 4.436 20.655 1.00 0.00 C ATOM 158 CG1 VAL A 13 -10.409 4.306 22.156 1.00 0.00 C ATOM 159 CG2 VAL A 13 -12.010 3.977 20.259 1.00 0.00 C ATOM 0 H VAL A 13 -10.358 5.382 18.163 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.998 6.555 20.787 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.891 3.792 20.156 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.586 3.274 22.460 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.387 4.588 22.409 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.106 4.962 22.677 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.163 2.950 20.591 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.752 4.624 20.727 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.116 4.028 19.175 1.00 0.00 H new ATOM 169 N GLY A 14 -8.654 7.113 21.393 1.00 0.00 N ATOM 170 CA GLY A 14 -7.293 7.518 21.693 1.00 0.00 C ATOM 171 C GLY A 14 -6.940 7.325 23.155 1.00 0.00 C ATOM 172 O GLY A 14 -6.480 8.254 23.817 1.00 0.00 O ATOM 0 H GLY A 14 -9.369 7.549 21.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.602 6.943 21.077 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.162 8.567 21.426 1.00 0.00 H new ATOM 176 N THR A 15 -7.157 6.115 23.659 1.00 0.00 N ATOM 177 CA THR A 15 -6.859 5.802 25.052 1.00 0.00 C ATOM 178 C THR A 15 -6.880 4.296 25.288 1.00 0.00 C ATOM 179 O THR A 15 -7.946 3.688 25.384 1.00 0.00 O ATOM 180 CB THR A 15 -7.864 6.490 25.976 1.00 0.00 C ATOM 181 OG1 THR A 15 -9.114 6.647 25.330 1.00 0.00 O ATOM 182 CG2 THR A 15 -7.412 7.858 26.441 1.00 0.00 C ATOM 0 H THR A 15 -7.538 5.335 23.124 1.00 0.00 H new ATOM 0 HA THR A 15 -5.858 6.171 25.276 1.00 0.00 H new ATOM 0 HB THR A 15 -7.948 5.838 26.846 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.744 7.087 25.938 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.171 8.290 27.093 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.474 7.765 26.988 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.265 8.506 25.577 1.00 0.00 H new ATOM 190 N SER A 16 -5.696 3.700 25.382 1.00 0.00 N ATOM 191 CA SER A 16 -5.579 2.264 25.607 1.00 0.00 C ATOM 192 C SER A 16 -4.166 1.895 26.045 1.00 0.00 C ATOM 193 O SER A 16 -3.205 2.600 25.732 1.00 0.00 O ATOM 194 CB SER A 16 -5.950 1.495 24.338 1.00 0.00 C ATOM 195 OG SER A 16 -7.319 1.124 24.345 1.00 0.00 O ATOM 0 H SER A 16 -4.804 4.189 25.306 1.00 0.00 H new ATOM 0 HA SER A 16 -6.270 1.989 26.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.742 2.110 23.463 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.329 0.603 24.256 1.00 0.00 H new ATOM 0 HG SER A 16 -7.858 1.868 24.687 1.00 0.00 H new ATOM 201 N SER A 17 -4.046 0.788 26.770 1.00 0.00 N ATOM 202 CA SER A 17 -2.748 0.326 27.250 1.00 0.00 C ATOM 203 C SER A 17 -2.847 -1.093 27.802 1.00 0.00 C ATOM 204 O SER A 17 -3.940 -1.638 27.950 1.00 0.00 O ATOM 205 CB SER A 17 -2.216 1.269 28.332 1.00 0.00 C ATOM 206 OG SER A 17 -3.239 1.628 29.244 1.00 0.00 O ATOM 0 H SER A 17 -4.831 0.194 27.038 1.00 0.00 H new ATOM 0 HA SER A 17 -2.057 0.323 26.407 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.399 0.787 28.869 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.807 2.166 27.868 1.00 0.00 H new ATOM 0 HG SER A 17 -2.873 2.229 29.926 1.00 0.00 H new ATOM 212 N GLY A 18 -1.696 -1.687 28.102 1.00 0.00 N ATOM 213 CA GLY A 18 -1.675 -3.036 28.632 1.00 0.00 C ATOM 214 C GLY A 18 -1.503 -4.083 27.550 1.00 0.00 C ATOM 215 O GLY A 18 -0.848 -3.838 26.537 1.00 0.00 O ATOM 0 H GLY A 18 -0.778 -1.257 27.987 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.863 -3.127 29.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.603 -3.225 29.172 1.00 0.00 H new ATOM 219 N LYS A 19 -2.095 -5.255 27.763 1.00 0.00 N ATOM 220 CA LYS A 19 -2.005 -6.342 26.797 1.00 0.00 C ATOM 221 C LYS A 19 -3.195 -6.324 25.844 1.00 0.00 C ATOM 222 O LYS A 19 -4.272 -6.821 26.169 1.00 0.00 O ATOM 223 CB LYS A 19 -1.936 -7.690 27.518 1.00 0.00 C ATOM 224 CG LYS A 19 -0.590 -7.961 28.173 1.00 0.00 C ATOM 225 CD LYS A 19 -0.660 -7.806 29.684 1.00 0.00 C ATOM 226 CE LYS A 19 0.563 -7.085 30.229 1.00 0.00 C ATOM 227 NZ LYS A 19 0.274 -5.658 30.539 1.00 0.00 N ATOM 0 H LYS A 19 -2.641 -5.475 28.596 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.094 -6.201 26.215 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.715 -7.726 28.279 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.151 -8.486 26.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.261 -8.970 27.925 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.155 -7.275 27.771 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.560 -7.252 29.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.741 -8.789 30.148 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.910 -7.589 31.131 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.372 -7.142 29.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.133 -5.202 30.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.033 -5.170 29.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.481 -5.604 31.253 1.00 0.00 H new ATOM 241 N GLN A 20 -2.993 -5.745 24.665 1.00 0.00 N ATOM 242 CA GLN A 20 -4.049 -5.660 23.663 1.00 0.00 C ATOM 243 C GLN A 20 -3.475 -5.308 22.295 1.00 0.00 C ATOM 244 O GLN A 20 -4.123 -4.633 21.495 1.00 0.00 O ATOM 245 CB GLN A 20 -5.090 -4.618 24.076 1.00 0.00 C ATOM 246 CG GLN A 20 -4.486 -3.281 24.476 1.00 0.00 C ATOM 247 CD GLN A 20 -5.530 -2.195 24.632 1.00 0.00 C ATOM 248 OE1 GLN A 20 -5.889 -1.816 25.747 1.00 0.00 O ATOM 249 NE2 GLN A 20 -6.026 -1.685 23.509 1.00 0.00 N ATOM 0 H GLN A 20 -2.107 -5.327 24.380 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.529 -6.636 23.594 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.783 -4.462 23.250 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.672 -5.009 24.911 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.945 -3.397 25.415 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.758 -2.975 23.724 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.700 -2.028 22.605 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.732 -0.950 23.551 1.00 0.00 H new ATOM 258 N LYS A 21 -2.257 -5.769 22.034 1.00 0.00 N ATOM 259 CA LYS A 21 -1.595 -5.503 20.762 1.00 0.00 C ATOM 260 C LYS A 21 -1.579 -6.751 19.882 1.00 0.00 C ATOM 261 O LYS A 21 -0.673 -6.940 19.071 1.00 0.00 O ATOM 262 CB LYS A 21 -0.165 -5.011 21.001 1.00 0.00 C ATOM 263 CG LYS A 21 0.010 -3.519 20.767 1.00 0.00 C ATOM 264 CD LYS A 21 1.261 -2.991 21.451 1.00 0.00 C ATOM 265 CE LYS A 21 1.620 -1.599 20.956 1.00 0.00 C ATOM 266 NZ LYS A 21 2.176 -0.749 22.044 1.00 0.00 N ATOM 0 H LYS A 21 -1.708 -6.329 22.686 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.157 -4.726 20.244 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.126 -5.247 22.025 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.513 -5.556 20.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.069 -3.322 19.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.864 -2.986 21.142 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.104 -2.966 22.529 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.093 -3.670 21.265 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.348 -1.677 20.149 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.733 -1.122 20.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.408 0.192 21.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.472 -0.653 22.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.037 -1.191 22.424 1.00 0.00 H new ATOM 280 N ARG A 22 -2.589 -7.600 20.049 1.00 0.00 N ATOM 281 CA ARG A 22 -2.691 -8.828 19.269 1.00 0.00 C ATOM 282 C ARG A 22 -3.894 -8.778 18.332 1.00 0.00 C ATOM 283 O ARG A 22 -4.900 -9.453 18.555 1.00 0.00 O ATOM 284 CB ARG A 22 -2.797 -10.040 20.200 1.00 0.00 C ATOM 285 CG ARG A 22 -1.501 -10.825 20.324 1.00 0.00 C ATOM 286 CD ARG A 22 -1.552 -11.804 21.486 1.00 0.00 C ATOM 287 NE ARG A 22 -0.240 -12.378 21.775 1.00 0.00 N ATOM 288 CZ ARG A 22 0.745 -11.711 22.374 1.00 0.00 C ATOM 289 NH1 ARG A 22 0.571 -10.450 22.748 1.00 0.00 N ATOM 290 NH2 ARG A 22 1.906 -12.309 22.599 1.00 0.00 N ATOM 0 H ARG A 22 -3.347 -7.460 20.717 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.789 -8.924 18.664 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.104 -9.702 21.190 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.580 -10.703 19.833 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.313 -11.368 19.398 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.669 -10.135 20.464 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.928 -11.295 22.373 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.255 -12.604 21.255 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.068 -13.346 21.502 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.321 -9.986 22.577 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.329 -9.945 23.206 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.044 -13.278 22.314 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.662 -11.800 23.058 1.00 0.00 H new ATOM 304 N TYR A 23 -3.781 -7.974 17.280 1.00 0.00 N ATOM 305 CA TYR A 23 -4.857 -7.832 16.304 1.00 0.00 C ATOM 306 C TYR A 23 -4.289 -7.600 14.907 1.00 0.00 C ATOM 307 O TYR A 23 -3.901 -6.484 14.562 1.00 0.00 O ATOM 308 CB TYR A 23 -5.777 -6.673 16.693 1.00 0.00 C ATOM 309 CG TYR A 23 -6.776 -7.031 17.771 1.00 0.00 C ATOM 310 CD1 TYR A 23 -7.881 -7.823 17.487 1.00 0.00 C ATOM 311 CD2 TYR A 23 -6.615 -6.571 19.073 1.00 0.00 C ATOM 312 CE1 TYR A 23 -8.796 -8.151 18.470 1.00 0.00 C ATOM 313 CE2 TYR A 23 -7.526 -6.894 20.060 1.00 0.00 C ATOM 314 CZ TYR A 23 -8.614 -7.683 19.754 1.00 0.00 C ATOM 315 OH TYR A 23 -9.523 -8.006 20.735 1.00 0.00 O ATOM 0 H TYR A 23 -2.955 -7.410 17.081 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.435 -8.756 16.296 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.169 -5.836 17.036 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.315 -6.334 15.808 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.028 -8.189 16.481 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.765 -5.952 19.317 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.649 -8.770 18.233 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.386 -6.530 21.067 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.248 -7.598 21.583 1.00 0.00 H new ATOM 325 N LYS A 24 -4.243 -8.661 14.108 1.00 0.00 N ATOM 326 CA LYS A 24 -3.721 -8.571 12.749 1.00 0.00 C ATOM 327 C LYS A 24 -4.804 -8.892 11.724 1.00 0.00 C ATOM 328 O LYS A 24 -4.631 -9.769 10.876 1.00 0.00 O ATOM 329 CB LYS A 24 -2.535 -9.522 12.575 1.00 0.00 C ATOM 330 CG LYS A 24 -1.369 -9.215 13.499 1.00 0.00 C ATOM 331 CD LYS A 24 -0.252 -10.234 13.344 1.00 0.00 C ATOM 332 CE LYS A 24 -0.453 -11.426 14.265 1.00 0.00 C ATOM 333 NZ LYS A 24 0.809 -12.187 14.474 1.00 0.00 N ATOM 0 H LYS A 24 -4.560 -9.592 14.378 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.386 -7.547 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.870 -10.544 12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.191 -9.475 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.986 -8.218 13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.715 -9.207 14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.210 -10.575 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.706 -9.762 13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.832 -11.081 15.227 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.210 -12.087 13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.628 -12.991 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.158 -12.538 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.524 -11.564 14.901 1.00 0.00 H new ATOM 347 N PHE A 25 -5.921 -8.174 11.802 1.00 0.00 N ATOM 348 CA PHE A 25 -7.030 -8.381 10.878 1.00 0.00 C ATOM 349 C PHE A 25 -6.576 -8.236 9.434 1.00 0.00 C ATOM 350 O PHE A 25 -5.554 -7.607 9.156 1.00 0.00 O ATOM 351 CB PHE A 25 -8.164 -7.398 11.170 1.00 0.00 C ATOM 352 CG PHE A 25 -9.176 -7.918 12.151 1.00 0.00 C ATOM 353 CD1 PHE A 25 -8.784 -8.338 13.413 1.00 0.00 C ATOM 354 CD2 PHE A 25 -10.517 -7.987 11.813 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.713 -8.816 14.318 1.00 0.00 C ATOM 356 CE2 PHE A 25 -11.450 -8.464 12.714 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.048 -8.880 13.968 1.00 0.00 C ATOM 0 H PHE A 25 -6.081 -7.444 12.496 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.396 -9.397 11.022 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.739 -6.471 11.556 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.669 -7.152 10.236 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.742 -8.291 13.692 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.838 -7.664 10.834 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.395 -9.139 15.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.493 -8.511 12.438 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.775 -9.254 14.673 1.00 0.00 H new ATOM 367 N SER A 26 -7.348 -8.809 8.515 1.00 0.00 N ATOM 368 CA SER A 26 -7.036 -8.724 7.092 1.00 0.00 C ATOM 369 C SER A 26 -7.322 -7.314 6.596 1.00 0.00 C ATOM 370 O SER A 26 -8.068 -7.111 5.637 1.00 0.00 O ATOM 371 CB SER A 26 -7.859 -9.743 6.300 1.00 0.00 C ATOM 372 OG SER A 26 -7.257 -11.027 6.340 1.00 0.00 O ATOM 0 H SER A 26 -8.194 -9.337 8.730 1.00 0.00 H new ATOM 0 HA SER A 26 -5.980 -8.952 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.868 -9.798 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.953 -9.414 5.265 1.00 0.00 H new ATOM 0 HG SER A 26 -7.803 -11.660 5.828 1.00 0.00 H new ATOM 378 N ALA A 27 -6.730 -6.345 7.283 1.00 0.00 N ATOM 379 CA ALA A 27 -6.901 -4.937 6.975 1.00 0.00 C ATOM 380 C ALA A 27 -6.389 -4.084 8.132 1.00 0.00 C ATOM 381 O ALA A 27 -6.003 -2.932 7.935 1.00 0.00 O ATOM 382 CB ALA A 27 -8.364 -4.625 6.701 1.00 0.00 C ATOM 0 H ALA A 27 -6.113 -6.519 8.076 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.325 -4.704 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.473 -3.565 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.710 -5.217 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.959 -4.869 7.581 1.00 0.00 H new ATOM 388 N SER A 28 -6.384 -4.655 9.344 1.00 0.00 N ATOM 389 CA SER A 28 -5.912 -3.929 10.520 1.00 0.00 C ATOM 390 C SER A 28 -4.502 -3.388 10.305 1.00 0.00 C ATOM 391 O SER A 28 -4.103 -2.411 10.934 1.00 0.00 O ATOM 392 CB SER A 28 -5.934 -4.836 11.751 1.00 0.00 C ATOM 393 OG SER A 28 -7.095 -4.610 12.531 1.00 0.00 O ATOM 0 H SER A 28 -6.699 -5.607 9.530 1.00 0.00 H new ATOM 0 HA SER A 28 -6.584 -3.086 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.900 -5.880 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.045 -4.655 12.356 1.00 0.00 H new ATOM 0 HG SER A 28 -7.086 -5.203 13.311 1.00 0.00 H new ATOM 399 N GLU A 29 -3.751 -4.031 9.416 1.00 0.00 N ATOM 400 CA GLU A 29 -2.383 -3.609 9.127 1.00 0.00 C ATOM 401 C GLU A 29 -2.333 -2.135 8.728 1.00 0.00 C ATOM 402 O GLU A 29 -1.573 -1.349 9.298 1.00 0.00 O ATOM 403 CB GLU A 29 -1.792 -4.470 8.010 1.00 0.00 C ATOM 404 CG GLU A 29 -1.223 -5.793 8.498 1.00 0.00 C ATOM 405 CD GLU A 29 -2.083 -6.977 8.102 1.00 0.00 C ATOM 406 OE1 GLU A 29 -2.544 -7.015 6.941 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.294 -7.868 8.952 1.00 0.00 O ATOM 0 H GLU A 29 -4.064 -4.843 8.885 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.792 -3.738 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.565 -4.668 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.004 -3.908 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.220 -5.925 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.127 -5.765 9.583 1.00 0.00 H new ATOM 414 N ASP A 30 -3.151 -1.767 7.747 1.00 0.00 N ATOM 415 CA ASP A 30 -3.202 -0.391 7.270 1.00 0.00 C ATOM 416 C ASP A 30 -3.794 0.532 8.329 1.00 0.00 C ATOM 417 O ASP A 30 -3.385 1.686 8.460 1.00 0.00 O ATOM 418 CB ASP A 30 -4.026 -0.306 5.984 1.00 0.00 C ATOM 419 CG ASP A 30 -3.390 -1.072 4.840 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.222 -0.780 4.505 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.059 -1.964 4.279 1.00 0.00 O ATOM 0 H ASP A 30 -3.788 -2.403 7.267 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.182 -0.067 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.026 -0.699 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.142 0.739 5.698 1.00 0.00 H new ATOM 426 N GLU A 31 -4.759 0.017 9.081 1.00 0.00 N ATOM 427 CA GLU A 31 -5.408 0.796 10.129 1.00 0.00 C ATOM 428 C GLU A 31 -4.479 0.979 11.324 1.00 0.00 C ATOM 429 O GLU A 31 -4.553 1.981 12.036 1.00 0.00 O ATOM 430 CB GLU A 31 -6.707 0.121 10.572 1.00 0.00 C ATOM 431 CG GLU A 31 -7.651 -0.194 9.424 1.00 0.00 C ATOM 432 CD GLU A 31 -8.832 0.755 9.362 1.00 0.00 C ATOM 433 OE1 GLU A 31 -9.298 1.193 10.435 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.290 1.061 8.241 1.00 0.00 O ATOM 0 H GLU A 31 -5.109 -0.936 8.985 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.644 1.779 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.466 -0.803 11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.218 0.768 11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.102 -0.146 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.016 -1.216 9.529 1.00 0.00 H new ATOM 441 N ALA A 32 -3.601 0.010 11.540 1.00 0.00 N ATOM 442 CA ALA A 32 -2.662 0.082 12.644 1.00 0.00 C ATOM 443 C ALA A 32 -1.587 1.117 12.361 1.00 0.00 C ATOM 444 O ALA A 32 -1.166 1.849 13.257 1.00 0.00 O ATOM 445 CB ALA A 32 -2.042 -1.282 12.913 1.00 0.00 C ATOM 0 H ALA A 32 -3.521 -0.830 10.967 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.205 0.389 13.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.341 -1.206 13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.827 -1.995 13.165 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.513 -1.623 12.023 1.00 0.00 H new ATOM 451 N ILE A 33 -1.153 1.186 11.109 1.00 0.00 N ATOM 452 CA ILE A 33 -0.138 2.152 10.726 1.00 0.00 C ATOM 453 C ILE A 33 -0.693 3.562 10.795 1.00 0.00 C ATOM 454 O ILE A 33 -0.072 4.454 11.371 1.00 0.00 O ATOM 455 CB ILE A 33 0.421 1.889 9.308 1.00 0.00 C ATOM 456 CG1 ILE A 33 1.873 1.423 9.382 1.00 0.00 C ATOM 457 CG2 ILE A 33 0.329 3.137 8.436 1.00 0.00 C ATOM 458 CD1 ILE A 33 2.759 2.309 10.234 1.00 0.00 C ATOM 0 H ILE A 33 -1.485 0.590 10.350 1.00 0.00 H new ATOM 0 HA ILE A 33 0.683 2.042 11.435 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.187 1.105 8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.899 0.409 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.282 1.379 8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.730 2.919 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.714 3.442 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.905 3.942 8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.774 1.913 10.237 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.765 3.319 9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.376 2.333 11.254 1.00 0.00 H new ATOM 470 N ILE A 34 -1.861 3.768 10.197 1.00 0.00 N ATOM 471 CA ILE A 34 -2.468 5.085 10.202 1.00 0.00 C ATOM 472 C ILE A 34 -2.646 5.563 11.635 1.00 0.00 C ATOM 473 O ILE A 34 -2.413 6.732 11.946 1.00 0.00 O ATOM 474 CB ILE A 34 -3.824 5.116 9.466 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.761 4.048 10.024 1.00 0.00 C ATOM 476 CG2 ILE A 34 -3.618 4.918 7.973 1.00 0.00 C ATOM 477 CD1 ILE A 34 -5.652 4.545 11.141 1.00 0.00 C ATOM 0 H ILE A 34 -2.397 3.049 9.711 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.796 5.753 9.664 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.283 6.091 9.626 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.385 3.666 9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.167 3.211 10.390 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.583 4.942 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.984 5.715 7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.139 3.955 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.290 3.732 11.487 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.036 4.900 11.967 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.273 5.362 10.775 1.00 0.00 H new ATOM 489 N LYS A 35 -3.018 4.637 12.514 1.00 0.00 N ATOM 490 CA LYS A 35 -3.175 4.956 13.922 1.00 0.00 C ATOM 491 C LYS A 35 -1.799 5.130 14.553 1.00 0.00 C ATOM 492 O LYS A 35 -1.622 5.896 15.502 1.00 0.00 O ATOM 493 CB LYS A 35 -3.954 3.852 14.640 1.00 0.00 C ATOM 494 CG LYS A 35 -4.116 4.092 16.133 1.00 0.00 C ATOM 495 CD LYS A 35 -3.105 3.293 16.938 1.00 0.00 C ATOM 496 CE LYS A 35 -3.092 3.718 18.398 1.00 0.00 C ATOM 497 NZ LYS A 35 -3.754 2.713 19.275 1.00 0.00 N ATOM 0 H LYS A 35 -3.215 3.665 12.274 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.738 5.884 14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.941 3.761 14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.444 2.901 14.487 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.996 5.154 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.125 3.817 16.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.342 2.231 16.869 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.111 3.426 16.511 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.062 3.863 18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.597 4.678 18.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.724 3.040 20.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.744 2.593 18.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.257 1.803 19.197 1.00 0.00 H new ATOM 511 N GLY A 36 -0.823 4.409 14.001 1.00 0.00 N ATOM 512 CA GLY A 36 0.538 4.479 14.493 1.00 0.00 C ATOM 513 C GLY A 36 1.181 5.828 14.237 1.00 0.00 C ATOM 514 O GLY A 36 1.786 6.417 15.132 1.00 0.00 O ATOM 0 H GLY A 36 -0.957 3.773 13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.544 4.275 15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.133 3.700 14.016 1.00 0.00 H new ATOM 518 N LEU A 37 1.053 6.313 13.007 1.00 0.00 N ATOM 519 CA LEU A 37 1.629 7.594 12.623 1.00 0.00 C ATOM 520 C LEU A 37 0.860 8.750 13.252 1.00 0.00 C ATOM 521 O LEU A 37 1.433 9.793 13.562 1.00 0.00 O ATOM 522 CB LEU A 37 1.626 7.736 11.100 1.00 0.00 C ATOM 523 CG LEU A 37 2.830 7.117 10.385 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.805 5.601 10.499 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.852 7.541 8.924 1.00 0.00 C ATOM 0 H LEU A 37 0.553 5.835 12.257 1.00 0.00 H new ATOM 0 HA LEU A 37 2.656 7.626 12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.717 7.278 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.581 8.796 10.850 1.00 0.00 H new ATOM 0 HG LEU A 37 3.738 7.479 10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.670 5.183 9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.836 5.315 11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.892 5.217 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.713 7.093 8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.937 7.207 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.921 8.627 8.861 1.00 0.00 H new ATOM 537 N ALA A 38 -0.442 8.559 13.435 1.00 0.00 N ATOM 538 CA ALA A 38 -1.287 9.591 14.024 1.00 0.00 C ATOM 539 C ALA A 38 -1.224 9.571 15.552 1.00 0.00 C ATOM 540 O ALA A 38 -1.787 10.445 16.211 1.00 0.00 O ATOM 541 CB ALA A 38 -2.723 9.423 13.554 1.00 0.00 C ATOM 0 H ALA A 38 -0.934 7.701 13.185 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.910 10.558 13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.345 10.199 14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.762 9.506 12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.093 8.443 13.857 1.00 0.00 H new ATOM 547 N ARG A 39 -0.545 8.573 16.114 1.00 0.00 N ATOM 548 CA ARG A 39 -0.428 8.457 17.565 1.00 0.00 C ATOM 549 C ARG A 39 1.029 8.505 18.019 1.00 0.00 C ATOM 550 O ARG A 39 1.332 9.005 19.102 1.00 0.00 O ATOM 551 CB ARG A 39 -1.081 7.160 18.046 1.00 0.00 C ATOM 552 CG ARG A 39 -1.521 7.205 19.502 1.00 0.00 C ATOM 553 CD ARG A 39 -0.704 6.254 20.363 1.00 0.00 C ATOM 554 NE ARG A 39 -1.515 5.627 21.405 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.870 6.237 22.535 1.00 0.00 C ATOM 556 NH1 ARG A 39 -1.489 7.486 22.771 1.00 0.00 N ATOM 557 NH2 ARG A 39 -2.610 5.595 23.429 1.00 0.00 N ATOM 0 H ARG A 39 -0.070 7.838 15.590 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.945 9.309 18.006 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.947 6.945 17.420 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.378 6.338 17.912 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.418 8.221 19.883 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.577 6.944 19.572 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.263 5.482 19.733 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.120 6.799 20.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.827 4.667 21.259 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.921 7.984 22.085 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.764 7.948 23.638 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.907 4.635 23.251 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.882 6.061 24.295 1.00 0.00 H new ATOM 571 N PHE A 40 1.927 7.974 17.195 1.00 0.00 N ATOM 572 CA PHE A 40 3.349 7.953 17.530 1.00 0.00 C ATOM 573 C PHE A 40 4.147 8.903 16.641 1.00 0.00 C ATOM 574 O PHE A 40 4.603 8.523 15.563 1.00 0.00 O ATOM 575 CB PHE A 40 3.903 6.534 17.400 1.00 0.00 C ATOM 576 CG PHE A 40 3.751 5.710 18.648 1.00 0.00 C ATOM 577 CD1 PHE A 40 2.499 5.291 19.067 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.859 5.356 19.399 1.00 0.00 C ATOM 579 CE1 PHE A 40 2.356 4.532 20.213 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.723 4.597 20.546 1.00 0.00 C ATOM 581 CZ PHE A 40 3.470 4.185 20.953 1.00 0.00 C ATOM 0 H PHE A 40 1.698 7.554 16.294 1.00 0.00 H new ATOM 0 HA PHE A 40 3.450 8.288 18.562 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.396 6.029 16.578 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.960 6.588 17.137 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.625 5.560 18.492 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.841 5.677 19.085 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.375 4.211 20.530 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.595 4.327 21.123 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.361 3.592 21.849 1.00 0.00 H new ATOM 591 N THR A 41 4.322 10.137 17.108 1.00 0.00 N ATOM 592 CA THR A 41 5.079 11.140 16.367 1.00 0.00 C ATOM 593 C THR A 41 5.120 12.462 17.127 1.00 0.00 C ATOM 594 O THR A 41 4.236 13.305 16.980 1.00 0.00 O ATOM 595 CB THR A 41 4.480 11.354 14.974 1.00 0.00 C ATOM 596 OG1 THR A 41 5.243 12.296 14.241 1.00 0.00 O ATOM 597 CG2 THR A 41 3.051 11.846 14.999 1.00 0.00 C ATOM 0 H THR A 41 3.948 10.466 17.998 1.00 0.00 H new ATOM 0 HA THR A 41 6.099 10.772 16.256 1.00 0.00 H new ATOM 0 HB THR A 41 4.498 10.372 14.502 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.101 12.157 13.281 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.693 11.975 13.978 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.424 11.118 15.514 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.004 12.800 15.523 1.00 0.00 H new ATOM 605 N LYS A 42 6.157 12.634 17.940 1.00 0.00 N ATOM 606 CA LYS A 42 6.319 13.852 18.725 1.00 0.00 C ATOM 607 C LYS A 42 7.698 14.465 18.497 1.00 0.00 C ATOM 608 O LYS A 42 8.237 15.145 19.370 1.00 0.00 O ATOM 609 CB LYS A 42 6.121 13.556 20.213 1.00 0.00 C ATOM 610 CG LYS A 42 4.884 12.721 20.509 1.00 0.00 C ATOM 611 CD LYS A 42 5.125 11.758 21.659 1.00 0.00 C ATOM 612 CE LYS A 42 5.739 10.452 21.176 1.00 0.00 C ATOM 613 NZ LYS A 42 7.146 10.635 20.722 1.00 0.00 N ATOM 0 H LYS A 42 6.898 11.945 18.072 1.00 0.00 H new ATOM 0 HA LYS A 42 5.563 14.567 18.400 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.000 13.034 20.591 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.051 14.498 20.756 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.049 13.379 20.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.600 12.161 19.618 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.786 12.223 22.391 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.182 11.552 22.166 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.710 9.717 21.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.142 10.051 20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.629 9.714 20.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.152 11.043 19.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.641 11.276 21.375 1.00 0.00 H new ATOM 627 N GLY A 43 8.262 14.221 17.318 1.00 0.00 N ATOM 628 CA GLY A 43 9.572 14.756 16.997 1.00 0.00 C ATOM 629 C GLY A 43 9.626 15.356 15.607 1.00 0.00 C ATOM 630 O GLY A 43 9.691 16.576 15.452 1.00 0.00 O ATOM 0 H GLY A 43 7.835 13.662 16.579 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.840 15.518 17.729 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.315 13.962 17.076 1.00 0.00 H new ATOM 634 N GLN A 44 9.600 14.497 14.594 1.00 0.00 N ATOM 635 CA GLN A 44 9.649 14.944 13.206 1.00 0.00 C ATOM 636 C GLN A 44 9.628 13.754 12.251 1.00 0.00 C ATOM 637 O GLN A 44 9.002 13.807 11.193 1.00 0.00 O ATOM 638 CB GLN A 44 10.902 15.791 12.961 1.00 0.00 C ATOM 639 CG GLN A 44 10.602 17.254 12.686 1.00 0.00 C ATOM 640 CD GLN A 44 11.859 18.083 12.508 1.00 0.00 C ATOM 641 OE1 GLN A 44 12.181 18.931 13.340 1.00 0.00 O ATOM 642 NE2 GLN A 44 12.577 17.842 11.418 1.00 0.00 N ATOM 0 H GLN A 44 9.545 13.485 14.708 1.00 0.00 H new ATOM 0 HA GLN A 44 8.766 15.555 13.016 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.554 15.720 13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.451 15.376 12.116 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.989 17.333 11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.016 17.662 13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.273 17.130 10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.433 18.369 11.244 1.00 0.00 H new ATOM 651 N GLN A 45 10.318 12.685 12.632 1.00 0.00 N ATOM 652 CA GLN A 45 10.381 11.485 11.807 1.00 0.00 C ATOM 653 C GLN A 45 10.150 10.230 12.645 1.00 0.00 C ATOM 654 O GLN A 45 11.057 9.417 12.829 1.00 0.00 O ATOM 655 CB GLN A 45 11.734 11.399 11.100 1.00 0.00 C ATOM 656 CG GLN A 45 11.677 10.680 9.762 1.00 0.00 C ATOM 657 CD GLN A 45 13.016 10.100 9.353 1.00 0.00 C ATOM 658 OE1 GLN A 45 13.576 10.468 8.320 1.00 0.00 O ATOM 659 NE2 GLN A 45 13.538 9.185 10.161 1.00 0.00 N ATOM 0 H GLN A 45 10.841 12.625 13.506 1.00 0.00 H new ATOM 0 HA GLN A 45 9.590 11.548 11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.118 12.407 10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.442 10.884 11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.940 9.879 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.337 11.375 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.040 8.909 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.437 8.758 9.935 1.00 0.00 H new ATOM 668 N ARG A 46 8.929 10.075 13.146 1.00 0.00 N ATOM 669 CA ARG A 46 8.579 8.916 13.958 1.00 0.00 C ATOM 670 C ARG A 46 7.825 7.880 13.130 1.00 0.00 C ATOM 671 O ARG A 46 7.821 6.693 13.457 1.00 0.00 O ATOM 672 CB ARG A 46 7.734 9.344 15.161 1.00 0.00 C ATOM 673 CG ARG A 46 8.216 8.762 16.481 1.00 0.00 C ATOM 674 CD ARG A 46 7.404 7.539 16.883 1.00 0.00 C ATOM 675 NE ARG A 46 6.988 7.595 18.282 1.00 0.00 N ATOM 676 CZ ARG A 46 7.788 7.303 19.305 1.00 0.00 C ATOM 677 NH1 ARG A 46 9.046 6.939 19.091 1.00 0.00 N ATOM 678 NH2 ARG A 46 7.327 7.376 20.547 1.00 0.00 N ATOM 0 H ARG A 46 8.166 10.737 13.004 1.00 0.00 H new ATOM 0 HA ARG A 46 9.503 8.463 14.318 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.739 10.432 15.230 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.700 9.040 14.995 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.268 8.490 16.397 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.144 9.520 17.261 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.523 7.463 16.245 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.997 6.639 16.717 1.00 0.00 H new ATOM 0 HE ARG A 46 6.029 7.874 18.487 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.405 6.882 18.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.654 6.717 19.879 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.361 7.656 20.717 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.939 7.153 21.332 1.00 0.00 H new ATOM 692 N PHE A 47 7.185 8.339 12.055 1.00 0.00 N ATOM 693 CA PHE A 47 6.422 7.457 11.172 1.00 0.00 C ATOM 694 C PHE A 47 7.202 6.185 10.848 1.00 0.00 C ATOM 695 O PHE A 47 6.657 5.081 10.884 1.00 0.00 O ATOM 696 CB PHE A 47 6.062 8.187 9.878 1.00 0.00 C ATOM 697 CG PHE A 47 5.518 9.574 10.091 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.681 9.851 11.161 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.845 10.600 9.221 1.00 0.00 C ATOM 700 CE1 PHE A 47 4.182 11.125 11.358 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.350 11.877 9.412 1.00 0.00 C ATOM 702 CZ PHE A 47 4.517 12.138 10.483 1.00 0.00 C ATOM 0 H PHE A 47 7.180 9.319 11.774 1.00 0.00 H new ATOM 0 HA PHE A 47 5.508 7.173 11.694 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.949 8.248 9.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.324 7.598 9.333 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.416 9.062 11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.495 10.400 8.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.531 11.327 12.196 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.614 12.668 8.726 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.128 13.134 10.635 1.00 0.00 H new ATOM 712 N GLN A 48 8.483 6.342 10.537 1.00 0.00 N ATOM 713 CA GLN A 48 9.326 5.199 10.216 1.00 0.00 C ATOM 714 C GLN A 48 9.569 4.353 11.462 1.00 0.00 C ATOM 715 O GLN A 48 9.711 3.134 11.379 1.00 0.00 O ATOM 716 CB GLN A 48 10.658 5.663 9.625 1.00 0.00 C ATOM 717 CG GLN A 48 11.493 6.498 10.585 1.00 0.00 C ATOM 718 CD GLN A 48 12.742 5.776 11.053 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.717 5.654 10.310 1.00 0.00 O ATOM 720 NE2 GLN A 48 12.718 5.292 12.289 1.00 0.00 N ATOM 0 H GLN A 48 8.958 7.244 10.501 1.00 0.00 H new ATOM 0 HA GLN A 48 8.811 4.590 9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.235 4.790 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.463 6.246 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.778 7.430 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.886 6.765 11.450 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.889 5.416 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.529 4.796 12.658 1.00 0.00 H new ATOM 729 N GLN A 49 9.607 5.011 12.618 1.00 0.00 N ATOM 730 CA GLN A 49 9.822 4.320 13.883 1.00 0.00 C ATOM 731 C GLN A 49 8.668 3.368 14.170 1.00 0.00 C ATOM 732 O GLN A 49 8.877 2.186 14.458 1.00 0.00 O ATOM 733 CB GLN A 49 9.968 5.328 15.024 1.00 0.00 C ATOM 734 CG GLN A 49 10.746 4.792 16.215 1.00 0.00 C ATOM 735 CD GLN A 49 10.098 3.568 16.831 1.00 0.00 C ATOM 736 OE1 GLN A 49 10.667 2.476 16.819 1.00 0.00 O ATOM 737 NE2 GLN A 49 8.899 3.745 17.377 1.00 0.00 N ATOM 0 H GLN A 49 9.492 6.021 12.703 1.00 0.00 H new ATOM 0 HA GLN A 49 10.743 3.742 13.807 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.467 6.221 14.647 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.976 5.634 15.357 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.759 4.542 15.900 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.830 5.573 16.971 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.464 4.668 17.365 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.414 2.958 17.808 1.00 0.00 H new ATOM 746 N ILE A 50 7.444 3.883 14.075 1.00 0.00 N ATOM 747 CA ILE A 50 6.263 3.066 14.308 1.00 0.00 C ATOM 748 C ILE A 50 6.224 1.917 13.312 1.00 0.00 C ATOM 749 O ILE A 50 5.843 0.798 13.651 1.00 0.00 O ATOM 750 CB ILE A 50 4.956 3.896 14.231 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.811 3.150 14.920 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.586 4.238 12.793 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.374 1.896 14.191 1.00 0.00 C ATOM 0 H ILE A 50 7.248 4.856 13.840 1.00 0.00 H new ATOM 0 HA ILE A 50 6.330 2.666 15.320 1.00 0.00 H new ATOM 0 HB ILE A 50 5.130 4.836 14.754 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.120 2.883 15.931 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.957 3.821 15.014 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.664 4.820 12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.388 4.821 12.340 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.441 3.318 12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.560 1.422 14.739 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.033 2.158 13.189 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.214 1.205 14.120 1.00 0.00 H new ATOM 765 N TYR A 51 6.640 2.205 12.080 1.00 0.00 N ATOM 766 CA TYR A 51 6.675 1.199 11.027 1.00 0.00 C ATOM 767 C TYR A 51 7.559 0.030 11.445 1.00 0.00 C ATOM 768 O TYR A 51 7.232 -1.132 11.198 1.00 0.00 O ATOM 769 CB TYR A 51 7.196 1.814 9.725 1.00 0.00 C ATOM 770 CG TYR A 51 7.400 0.811 8.610 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.375 -0.039 8.218 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.620 0.714 7.953 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.558 -0.958 7.201 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.811 -0.201 6.934 1.00 0.00 C ATOM 775 CZ TYR A 51 7.777 -1.033 6.563 1.00 0.00 C ATOM 776 OH TYR A 51 7.964 -1.946 5.550 1.00 0.00 O ATOM 0 H TYR A 51 6.958 3.130 11.789 1.00 0.00 H new ATOM 0 HA TYR A 51 5.662 0.832 10.861 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.494 2.578 9.389 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.142 2.317 9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.418 0.018 8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.433 1.364 8.243 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.750 -1.613 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.765 -0.263 6.432 1.00 0.00 H new ATOM 0 HH TYR A 51 8.659 -2.586 5.810 1.00 0.00 H new ATOM 786 N TYR A 52 8.677 0.348 12.090 1.00 0.00 N ATOM 787 CA TYR A 52 9.605 -0.672 12.556 1.00 0.00 C ATOM 788 C TYR A 52 8.924 -1.578 13.570 1.00 0.00 C ATOM 789 O TYR A 52 8.821 -2.787 13.368 1.00 0.00 O ATOM 790 CB TYR A 52 10.847 -0.025 13.175 1.00 0.00 C ATOM 791 CG TYR A 52 12.051 -0.029 12.261 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.769 -1.196 12.030 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.470 1.136 11.628 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.870 -1.203 11.194 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.569 1.136 10.791 1.00 0.00 C ATOM 796 CZ TYR A 52 14.266 -0.034 10.578 1.00 0.00 C ATOM 797 OH TYR A 52 15.361 -0.037 9.746 1.00 0.00 O ATOM 0 H TYR A 52 8.961 1.305 12.301 1.00 0.00 H new ATOM 0 HA TYR A 52 9.917 -1.272 11.701 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.612 1.004 13.448 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.099 -0.550 14.096 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.462 -2.113 12.511 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.928 2.055 11.793 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.417 -2.119 11.024 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.881 2.049 10.306 1.00 0.00 H new ATOM 0 HH TYR A 52 15.505 0.865 9.392 1.00 0.00 H new ATOM 807 N ALA A 53 8.447 -0.981 14.652 1.00 0.00 N ATOM 808 CA ALA A 53 7.754 -1.736 15.688 1.00 0.00 C ATOM 809 C ALA A 53 6.488 -2.372 15.122 1.00 0.00 C ATOM 810 O ALA A 53 6.028 -3.407 15.601 1.00 0.00 O ATOM 811 CB ALA A 53 7.417 -0.834 16.866 1.00 0.00 C ATOM 0 H ALA A 53 8.526 0.019 14.836 1.00 0.00 H new ATOM 0 HA ALA A 53 8.413 -2.530 16.040 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.900 -1.413 17.631 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.336 -0.421 17.283 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.774 -0.021 16.529 1.00 0.00 H new ATOM 817 N TYR A 54 5.938 -1.736 14.092 1.00 0.00 N ATOM 818 CA TYR A 54 4.729 -2.218 13.435 1.00 0.00 C ATOM 819 C TYR A 54 5.039 -3.382 12.492 1.00 0.00 C ATOM 820 O TYR A 54 4.130 -4.052 12.003 1.00 0.00 O ATOM 821 CB TYR A 54 4.070 -1.063 12.671 1.00 0.00 C ATOM 822 CG TYR A 54 3.105 -1.490 11.587 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.823 -1.923 11.898 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.478 -1.445 10.250 1.00 0.00 C ATOM 825 CE1 TYR A 54 0.940 -2.301 10.905 1.00 0.00 C ATOM 826 CE2 TYR A 54 2.603 -1.821 9.253 1.00 0.00 C ATOM 827 CZ TYR A 54 1.334 -2.249 9.584 1.00 0.00 C ATOM 828 OH TYR A 54 0.457 -2.622 8.594 1.00 0.00 O ATOM 0 H TYR A 54 6.316 -0.877 13.692 1.00 0.00 H new ATOM 0 HA TYR A 54 4.040 -2.587 14.195 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.539 -0.431 13.383 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.851 -0.450 12.222 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.512 -1.965 12.931 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.470 -1.110 9.987 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.054 -2.636 11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.910 -1.781 8.218 1.00 0.00 H new ATOM 0 HH TYR A 54 0.846 -3.354 8.071 1.00 0.00 H new ATOM 838 N ARG A 55 6.327 -3.620 12.235 1.00 0.00 N ATOM 839 CA ARG A 55 6.740 -4.704 11.348 1.00 0.00 C ATOM 840 C ARG A 55 6.128 -6.034 11.782 1.00 0.00 C ATOM 841 O ARG A 55 5.875 -6.911 10.956 1.00 0.00 O ATOM 842 CB ARG A 55 8.268 -4.813 11.317 1.00 0.00 C ATOM 843 CG ARG A 55 8.867 -5.384 12.595 1.00 0.00 C ATOM 844 CD ARG A 55 10.343 -5.041 12.719 1.00 0.00 C ATOM 845 NE ARG A 55 10.845 -5.268 14.073 1.00 0.00 N ATOM 846 CZ ARG A 55 12.135 -5.383 14.375 1.00 0.00 C ATOM 847 NH1 ARG A 55 13.057 -5.295 13.426 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.504 -5.589 15.633 1.00 0.00 N ATOM 0 H ARG A 55 7.097 -3.078 12.628 1.00 0.00 H new ATOM 0 HA ARG A 55 6.379 -4.474 10.345 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.562 -5.442 10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.690 -3.824 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.328 -4.993 13.458 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.742 -6.467 12.605 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.916 -5.643 12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.497 -3.997 12.445 1.00 0.00 H new ATOM 0 HE ARG A 55 10.166 -5.343 14.831 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.779 -5.138 12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.045 -5.384 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.799 -5.659 16.366 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.493 -5.677 15.866 1.00 0.00 H new ATOM 862 N SER A 56 5.896 -6.177 13.082 1.00 0.00 N ATOM 863 CA SER A 56 5.315 -7.399 13.625 1.00 0.00 C ATOM 864 C SER A 56 3.903 -7.614 13.094 1.00 0.00 C ATOM 865 O SER A 56 3.451 -8.750 12.942 1.00 0.00 O ATOM 866 CB SER A 56 5.294 -7.342 15.154 1.00 0.00 C ATOM 867 OG SER A 56 4.800 -8.553 15.703 1.00 0.00 O ATOM 0 H SER A 56 6.101 -5.462 13.779 1.00 0.00 H new ATOM 0 HA SER A 56 5.934 -8.238 13.307 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.300 -7.153 15.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.671 -6.510 15.482 1.00 0.00 H new ATOM 0 HG SER A 56 4.798 -8.492 16.681 1.00 0.00 H new ATOM 873 N VAL A 57 3.206 -6.517 12.814 1.00 0.00 N ATOM 874 CA VAL A 57 1.843 -6.587 12.300 1.00 0.00 C ATOM 875 C VAL A 57 1.832 -6.920 10.812 1.00 0.00 C ATOM 876 O VAL A 57 1.191 -7.882 10.387 1.00 0.00 O ATOM 877 CB VAL A 57 1.089 -5.263 12.523 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.380 -5.416 12.162 1.00 0.00 C ATOM 879 CG2 VAL A 57 1.245 -4.796 13.963 1.00 0.00 C ATOM 0 H VAL A 57 3.563 -5.569 12.935 1.00 0.00 H new ATOM 0 HA VAL A 57 1.339 -7.381 12.851 1.00 0.00 H new ATOM 0 HB VAL A 57 1.522 -4.506 11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.896 -4.470 12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.469 -5.701 11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.830 -6.188 12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.706 -3.859 14.102 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.840 -5.551 14.636 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.301 -4.643 14.183 1.00 0.00 H new ATOM 889 N TRP A 58 2.541 -6.120 10.022 1.00 0.00 N ATOM 890 CA TRP A 58 2.609 -6.333 8.582 1.00 0.00 C ATOM 891 C TRP A 58 3.845 -7.152 8.212 1.00 0.00 C ATOM 892 O TRP A 58 4.458 -7.788 9.069 1.00 0.00 O ATOM 893 CB TRP A 58 2.628 -4.989 7.846 1.00 0.00 C ATOM 894 CG TRP A 58 1.662 -4.912 6.700 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.097 -3.779 6.186 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.150 -6.004 5.923 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.263 -4.100 5.142 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.278 -5.457 4.962 1.00 0.00 C ATOM 899 CE3 TRP A 58 1.341 -7.388 5.947 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -0.398 -6.246 4.034 1.00 0.00 C ATOM 901 CZ3 TRP A 58 0.669 -8.170 5.025 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.190 -7.598 4.080 1.00 0.00 C ATOM 0 H TRP A 58 3.076 -5.318 10.355 1.00 0.00 H new ATOM 0 HA TRP A 58 1.723 -6.890 8.278 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.400 -4.194 8.555 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.635 -4.804 7.473 1.00 0.00 H new ATOM 0 HD1 TRP A 58 1.279 -2.778 6.547 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.279 -3.435 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.002 -7.839 6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.062 -5.807 3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.810 -9.241 5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.699 -8.236 3.373 1.00 0.00 H new ATOM 913 N HIS A 59 4.207 -7.126 6.932 1.00 0.00 N ATOM 914 CA HIS A 59 5.371 -7.862 6.453 1.00 0.00 C ATOM 915 C HIS A 59 6.661 -7.107 6.778 1.00 0.00 C ATOM 916 O HIS A 59 6.891 -6.012 6.262 1.00 0.00 O ATOM 917 CB HIS A 59 5.266 -8.092 4.944 1.00 0.00 C ATOM 918 CG HIS A 59 4.866 -9.489 4.577 1.00 0.00 C ATOM 919 ND1 HIS A 59 3.579 -9.966 4.719 1.00 0.00 N ATOM 920 CD2 HIS A 59 5.591 -10.515 4.073 1.00 0.00 C ATOM 921 CE1 HIS A 59 3.532 -11.224 4.319 1.00 0.00 C ATOM 922 NE2 HIS A 59 4.739 -11.580 3.923 1.00 0.00 N ATOM 0 H HIS A 59 3.711 -6.604 6.210 1.00 0.00 H new ATOM 0 HA HIS A 59 5.398 -8.827 6.960 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.540 -7.394 4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.227 -7.865 4.482 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.788 -9.431 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.644 -10.498 3.834 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.655 -11.854 4.317 1.00 0.00 H new ATOM 931 N PRO A 60 7.522 -7.678 7.638 1.00 0.00 N ATOM 932 CA PRO A 60 8.788 -7.043 8.022 1.00 0.00 C ATOM 933 C PRO A 60 9.618 -6.622 6.813 1.00 0.00 C ATOM 934 O PRO A 60 9.948 -7.442 5.959 1.00 0.00 O ATOM 935 CB PRO A 60 9.512 -8.136 8.811 1.00 0.00 C ATOM 936 CG PRO A 60 8.424 -9.002 9.342 1.00 0.00 C ATOM 937 CD PRO A 60 7.334 -8.980 8.305 1.00 0.00 C ATOM 0 HA PRO A 60 8.625 -6.126 8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.192 -8.701 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.110 -7.712 9.618 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.781 -10.018 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.060 -8.629 10.299 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.430 -9.808 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.346 -9.060 8.759 1.00 0.00 H new ATOM 945 N ALA A 61 9.951 -5.336 6.751 1.00 0.00 N ATOM 946 CA ALA A 61 10.742 -4.804 5.648 1.00 0.00 C ATOM 947 C ALA A 61 11.014 -3.315 5.836 1.00 0.00 C ATOM 948 O ALA A 61 10.289 -2.627 6.555 1.00 0.00 O ATOM 949 CB ALA A 61 10.035 -5.047 4.323 1.00 0.00 C ATOM 0 H ALA A 61 9.685 -4.644 7.452 1.00 0.00 H new ATOM 0 HA ALA A 61 11.699 -5.325 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.638 -4.644 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.896 -6.118 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.063 -4.553 4.333 1.00 0.00 H new ATOM 955 N ARG A 62 12.061 -2.822 5.183 1.00 0.00 N ATOM 956 CA ARG A 62 12.429 -1.414 5.275 1.00 0.00 C ATOM 957 C ARG A 62 11.720 -0.596 4.199 1.00 0.00 C ATOM 958 O ARG A 62 12.355 0.136 3.440 1.00 0.00 O ATOM 959 CB ARG A 62 13.945 -1.252 5.145 1.00 0.00 C ATOM 960 CG ARG A 62 14.531 -0.209 6.084 1.00 0.00 C ATOM 961 CD ARG A 62 15.933 0.202 5.660 1.00 0.00 C ATOM 962 NE ARG A 62 16.907 0.001 6.730 1.00 0.00 N ATOM 963 CZ ARG A 62 17.422 -1.183 7.051 1.00 0.00 C ATOM 964 NH1 ARG A 62 17.058 -2.275 6.390 1.00 0.00 N ATOM 965 NH2 ARG A 62 18.303 -1.278 8.037 1.00 0.00 N ATOM 0 H ARG A 62 12.671 -3.378 4.583 1.00 0.00 H new ATOM 0 HA ARG A 62 12.116 -1.044 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.422 -2.212 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.186 -0.979 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.884 0.668 6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.559 -0.607 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.231 -0.375 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.930 1.251 5.364 1.00 0.00 H new ATOM 0 HE ARG A 62 17.210 0.816 7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.380 -2.209 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.457 -3.180 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.586 -0.443 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.698 -2.186 8.283 1.00 0.00 H new ATOM 979 N THR A 63 10.399 -0.729 4.139 1.00 0.00 N ATOM 980 CA THR A 63 9.600 -0.006 3.154 1.00 0.00 C ATOM 981 C THR A 63 8.986 1.249 3.762 1.00 0.00 C ATOM 982 O THR A 63 7.789 1.503 3.611 1.00 0.00 O ATOM 983 CB THR A 63 8.502 -0.915 2.593 1.00 0.00 C ATOM 984 OG1 THR A 63 8.750 -2.269 2.926 1.00 0.00 O ATOM 985 CG2 THR A 63 8.369 -0.830 1.087 1.00 0.00 C ATOM 0 H THR A 63 9.858 -1.331 4.761 1.00 0.00 H new ATOM 0 HA THR A 63 10.258 0.299 2.340 1.00 0.00 H new ATOM 0 HB THR A 63 7.576 -0.562 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.505 -2.426 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.574 -1.498 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.127 0.193 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.310 -1.125 0.621 1.00 0.00 H new ATOM 993 N VAL A 64 9.809 2.042 4.444 1.00 0.00 N ATOM 994 CA VAL A 64 9.338 3.276 5.061 1.00 0.00 C ATOM 995 C VAL A 64 8.660 4.164 4.023 1.00 0.00 C ATOM 996 O VAL A 64 7.681 4.849 4.318 1.00 0.00 O ATOM 997 CB VAL A 64 10.491 4.049 5.734 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.008 5.391 6.268 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.102 3.216 6.849 1.00 0.00 C ATOM 0 H VAL A 64 10.802 1.852 4.582 1.00 0.00 H new ATOM 0 HA VAL A 64 8.616 3.003 5.831 1.00 0.00 H new ATOM 0 HB VAL A 64 11.258 4.243 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.840 5.916 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.618 5.991 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.220 5.228 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.914 3.773 7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.340 2.992 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.490 2.285 6.436 1.00 0.00 H new ATOM 1009 N SER A 65 9.178 4.130 2.799 1.00 0.00 N ATOM 1010 CA SER A 65 8.607 4.914 1.712 1.00 0.00 C ATOM 1011 C SER A 65 7.156 4.513 1.500 1.00 0.00 C ATOM 1012 O SER A 65 6.278 5.361 1.324 1.00 0.00 O ATOM 1013 CB SER A 65 9.406 4.712 0.423 1.00 0.00 C ATOM 1014 OG SER A 65 9.021 5.648 -0.569 1.00 0.00 O ATOM 0 H SER A 65 9.989 3.570 2.537 1.00 0.00 H new ATOM 0 HA SER A 65 8.653 5.970 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.471 4.816 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.252 3.699 0.051 1.00 0.00 H new ATOM 0 HG SER A 65 9.548 5.498 -1.382 1.00 0.00 H new ATOM 1020 N GLN A 66 6.907 3.208 1.545 1.00 0.00 N ATOM 1021 CA GLN A 66 5.558 2.689 1.383 1.00 0.00 C ATOM 1022 C GLN A 66 4.658 3.253 2.473 1.00 0.00 C ATOM 1023 O GLN A 66 3.499 3.585 2.230 1.00 0.00 O ATOM 1024 CB GLN A 66 5.561 1.159 1.440 1.00 0.00 C ATOM 1025 CG GLN A 66 4.442 0.519 0.635 1.00 0.00 C ATOM 1026 CD GLN A 66 4.878 0.134 -0.765 1.00 0.00 C ATOM 1027 OE1 GLN A 66 6.027 -0.242 -0.989 1.00 0.00 O ATOM 1028 NE2 GLN A 66 3.956 0.226 -1.716 1.00 0.00 N ATOM 0 H GLN A 66 7.621 2.494 1.692 1.00 0.00 H new ATOM 0 HA GLN A 66 5.177 2.995 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.519 0.792 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.477 0.842 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.085 -0.369 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.602 1.211 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.015 0.543 -1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.189 -0.020 -2.678 1.00 0.00 H new ATOM 1037 N LEU A 67 5.217 3.377 3.675 1.00 0.00 N ATOM 1038 CA LEU A 67 4.482 3.922 4.810 1.00 0.00 C ATOM 1039 C LEU A 67 3.966 5.310 4.479 1.00 0.00 C ATOM 1040 O LEU A 67 2.794 5.620 4.692 1.00 0.00 O ATOM 1041 CB LEU A 67 5.372 3.970 6.052 1.00 0.00 C ATOM 1042 CG LEU A 67 4.708 3.456 7.327 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.456 4.261 7.633 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.377 1.980 7.191 1.00 0.00 C ATOM 0 H LEU A 67 6.178 3.107 3.886 1.00 0.00 H new ATOM 0 HA LEU A 67 3.633 3.271 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.270 3.382 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.693 4.999 6.214 1.00 0.00 H new ATOM 0 HG LEU A 67 5.404 3.577 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.994 3.883 8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.722 5.309 7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.753 4.169 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.904 1.627 8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.696 1.836 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.293 1.416 7.015 1.00 0.00 H new ATOM 1056 N TYR A 68 4.847 6.135 3.937 1.00 0.00 N ATOM 1057 CA TYR A 68 4.481 7.485 3.548 1.00 0.00 C ATOM 1058 C TYR A 68 3.424 7.436 2.453 1.00 0.00 C ATOM 1059 O TYR A 68 2.610 8.348 2.320 1.00 0.00 O ATOM 1060 CB TYR A 68 5.713 8.251 3.062 1.00 0.00 C ATOM 1061 CG TYR A 68 6.643 8.694 4.175 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.632 8.068 5.419 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.536 9.740 3.977 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.483 8.475 6.428 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.390 10.150 4.982 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.360 9.516 6.206 1.00 0.00 C ATOM 1067 OH TYR A 68 9.209 9.923 7.208 1.00 0.00 O ATOM 0 H TYR A 68 5.821 5.892 3.757 1.00 0.00 H new ATOM 0 HA TYR A 68 4.072 8.005 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.269 7.621 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.386 9.129 2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.948 7.252 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.563 10.241 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.462 7.980 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.079 10.964 4.810 1.00 0.00 H new ATOM 0 HH TYR A 68 9.761 10.666 6.887 1.00 0.00 H new ATOM 1077 N ASP A 69 3.445 6.361 1.667 1.00 0.00 N ATOM 1078 CA ASP A 69 2.488 6.187 0.580 1.00 0.00 C ATOM 1079 C ASP A 69 1.068 6.035 1.110 1.00 0.00 C ATOM 1080 O ASP A 69 0.153 6.719 0.652 1.00 0.00 O ATOM 1081 CB ASP A 69 2.862 4.973 -0.273 1.00 0.00 C ATOM 1082 CG ASP A 69 2.348 5.085 -1.694 1.00 0.00 C ATOM 1083 OD1 ASP A 69 1.114 5.057 -1.883 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.178 5.202 -2.620 1.00 0.00 O ATOM 0 H ASP A 69 4.115 5.598 1.764 1.00 0.00 H new ATOM 0 HA ASP A 69 2.525 7.083 -0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.946 4.864 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.458 4.071 0.187 1.00 0.00 H new ATOM 1089 N HIS A 70 0.882 5.149 2.084 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.444 4.946 2.665 1.00 0.00 C ATOM 1091 C HIS A 70 -0.788 6.114 3.574 1.00 0.00 C ATOM 1092 O HIS A 70 -1.945 6.520 3.681 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.551 3.629 3.451 1.00 0.00 C ATOM 1094 CG HIS A 70 0.612 2.704 3.294 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.588 2.569 4.254 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.950 1.857 2.294 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.478 1.683 3.853 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.114 1.232 2.667 1.00 0.00 N ATOM 0 H HIS A 70 1.619 4.568 2.484 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.153 4.887 1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.669 3.863 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.455 3.108 3.137 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.618 3.076 5.139 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.406 1.702 1.374 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.356 1.378 4.402 1.00 0.00 H new ATOM 1107 N TRP A 71 0.236 6.652 4.221 1.00 0.00 N ATOM 1108 CA TRP A 71 0.068 7.779 5.120 1.00 0.00 C ATOM 1109 C TRP A 71 -0.236 9.052 4.336 1.00 0.00 C ATOM 1110 O TRP A 71 -0.962 9.926 4.809 1.00 0.00 O ATOM 1111 CB TRP A 71 1.331 7.963 5.962 1.00 0.00 C ATOM 1112 CG TRP A 71 1.224 9.077 6.958 1.00 0.00 C ATOM 1113 CD1 TRP A 71 2.070 10.140 7.094 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.211 9.240 7.957 1.00 0.00 C ATOM 1115 NE1 TRP A 71 1.646 10.952 8.119 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.507 10.420 8.663 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.917 8.499 8.325 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.286 10.878 9.714 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.703 8.954 9.367 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -1.383 10.135 10.050 1.00 0.00 C ATOM 0 H TRP A 71 1.197 6.322 4.137 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.775 7.577 5.781 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.546 7.033 6.489 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.175 8.157 5.300 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.944 10.317 6.485 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.105 11.810 8.425 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.169 7.587 7.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.042 11.787 10.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.577 8.391 9.659 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.017 10.465 10.860 1.00 0.00 H new ATOM 1131 N ARG A 72 0.318 9.146 3.129 1.00 0.00 N ATOM 1132 CA ARG A 72 0.099 10.309 2.279 1.00 0.00 C ATOM 1133 C ARG A 72 -1.256 10.217 1.585 1.00 0.00 C ATOM 1134 O ARG A 72 -1.883 11.233 1.290 1.00 0.00 O ATOM 1135 CB ARG A 72 1.213 10.428 1.238 1.00 0.00 C ATOM 1136 CG ARG A 72 1.097 11.669 0.364 1.00 0.00 C ATOM 1137 CD ARG A 72 2.314 12.570 0.507 1.00 0.00 C ATOM 1138 NE ARG A 72 2.068 13.680 1.424 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.023 14.484 1.887 1.00 0.00 C ATOM 1140 NH1 ARG A 72 4.287 14.304 1.520 1.00 0.00 N ATOM 1141 NH2 ARG A 72 2.714 15.470 2.717 1.00 0.00 N ATOM 0 H ARG A 72 0.920 8.431 2.720 1.00 0.00 H new ATOM 0 HA ARG A 72 0.110 11.199 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.176 10.441 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.201 9.543 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.984 11.371 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.199 12.224 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.159 11.983 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.592 12.963 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 72 1.109 13.849 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.530 13.547 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.015 14.923 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.745 15.613 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.445 16.086 3.072 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.701 8.990 1.332 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.980 8.787 0.682 1.00 0.00 C ATOM 1157 C GLY A 73 -4.143 8.935 1.644 1.00 0.00 C ATOM 1158 O GLY A 73 -5.253 9.275 1.239 1.00 0.00 O ATOM 0 H GLY A 73 -1.198 8.134 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.090 9.505 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.005 7.793 0.235 1.00 0.00 H new ATOM 1162 N THR A 74 -3.886 8.675 2.923 1.00 0.00 N ATOM 1163 CA THR A 74 -4.919 8.782 3.945 1.00 0.00 C ATOM 1164 C THR A 74 -5.037 10.217 4.454 1.00 0.00 C ATOM 1165 O THR A 74 -6.135 10.696 4.736 1.00 0.00 O ATOM 1166 CB THR A 74 -4.613 7.840 5.112 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.324 8.099 5.640 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.666 6.376 4.728 1.00 0.00 C ATOM 0 H THR A 74 -2.972 8.389 3.275 1.00 0.00 H new ATOM 0 HA THR A 74 -5.869 8.495 3.494 1.00 0.00 H new ATOM 0 HB THR A 74 -5.389 8.034 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.648 7.660 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.440 5.763 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.663 6.132 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.933 6.178 3.946 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.899 10.895 4.565 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.879 12.276 5.040 1.00 0.00 C ATOM 1178 C LEU A 75 -3.877 13.257 3.871 1.00 0.00 C ATOM 1179 O LEU A 75 -4.784 14.081 3.743 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.653 12.513 5.926 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.964 13.010 7.340 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.646 11.918 8.150 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -1.692 13.475 8.033 1.00 0.00 C ATOM 0 H LEU A 75 -2.982 10.514 4.334 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.782 12.445 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.091 11.582 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.004 13.239 5.436 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.644 13.858 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.860 12.288 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.578 11.632 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.990 11.050 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.932 13.825 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.988 12.645 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.244 14.288 7.463 1.00 0.00 H new ATOM 1195 N ARG A 76 -2.850 13.161 3.025 1.00 0.00 N ATOM 1196 CA ARG A 76 -2.705 14.035 1.858 1.00 0.00 C ATOM 1197 C ARG A 76 -3.134 15.474 2.165 1.00 0.00 C ATOM 1198 O ARG A 76 -2.332 16.276 2.645 1.00 0.00 O ATOM 1199 CB ARG A 76 -3.492 13.484 0.659 1.00 0.00 C ATOM 1200 CG ARG A 76 -4.730 12.682 1.037 1.00 0.00 C ATOM 1201 CD ARG A 76 -5.662 12.501 -0.152 1.00 0.00 C ATOM 1202 NE ARG A 76 -5.842 11.094 -0.498 1.00 0.00 N ATOM 1203 CZ ARG A 76 -6.845 10.637 -1.246 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -7.758 11.471 -1.727 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -6.935 9.341 -1.514 1.00 0.00 N ATOM 0 H ARG A 76 -2.098 12.479 3.128 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.646 14.054 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.793 14.317 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.831 12.852 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.430 11.706 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.261 13.189 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.631 12.945 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.261 13.037 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.160 10.422 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.694 12.469 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.523 11.114 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.236 8.695 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.703 8.991 -2.087 1.00 0.00 H new ATOM 1219 N TYR A 77 -4.398 15.797 1.889 1.00 0.00 N ATOM 1220 CA TYR A 77 -4.919 17.137 2.139 1.00 0.00 C ATOM 1221 C TYR A 77 -6.366 17.252 1.674 1.00 0.00 C ATOM 1222 O TYR A 77 -6.728 16.755 0.608 1.00 0.00 O ATOM 1223 CB TYR A 77 -4.060 18.186 1.428 1.00 0.00 C ATOM 1224 CG TYR A 77 -3.696 17.813 0.008 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -4.552 18.104 -1.047 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -2.498 17.171 -0.276 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -4.224 17.763 -2.346 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -2.162 16.828 -1.573 1.00 0.00 C ATOM 1229 CZ TYR A 77 -3.028 17.126 -2.603 1.00 0.00 C ATOM 1230 OH TYR A 77 -2.698 16.786 -3.895 1.00 0.00 O ATOM 0 H TYR A 77 -5.078 15.148 1.493 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.883 17.317 3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.595 19.136 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.145 18.341 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.488 18.604 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.818 16.936 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.901 17.994 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.226 16.329 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.823 16.345 -3.904 1.00 0.00 H new ATOM 1240 N LYS A 78 -7.191 17.908 2.481 1.00 0.00 N ATOM 1241 CA LYS A 78 -8.601 18.087 2.152 1.00 0.00 C ATOM 1242 C LYS A 78 -9.062 19.503 2.487 1.00 0.00 C ATOM 1243 O LYS A 78 -9.423 20.275 1.599 1.00 0.00 O ATOM 1244 CB LYS A 78 -9.456 17.068 2.906 1.00 0.00 C ATOM 1245 CG LYS A 78 -9.531 15.713 2.221 1.00 0.00 C ATOM 1246 CD LYS A 78 -8.518 14.739 2.800 1.00 0.00 C ATOM 1247 CE LYS A 78 -8.355 13.513 1.915 1.00 0.00 C ATOM 1248 NZ LYS A 78 -9.493 12.565 2.064 1.00 0.00 N ATOM 0 H LYS A 78 -6.909 18.325 3.368 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.721 17.929 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.050 16.937 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.465 17.465 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.535 15.304 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.352 15.834 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.556 15.238 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.836 14.431 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.277 13.825 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.424 13.005 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.344 11.743 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.553 12.247 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.379 13.042 1.799 1.00 0.00 H new ATOM 1262 N VAL A 79 -9.048 19.834 3.773 1.00 0.00 N ATOM 1263 CA VAL A 79 -9.465 21.155 4.227 1.00 0.00 C ATOM 1264 C VAL A 79 -8.653 21.600 5.438 1.00 0.00 C ATOM 1265 O VAL A 79 -9.000 21.291 6.578 1.00 0.00 O ATOM 1266 CB VAL A 79 -10.962 21.181 4.588 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -11.423 22.603 4.864 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -11.789 20.551 3.476 1.00 0.00 C ATOM 0 H VAL A 79 -8.752 19.205 4.520 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.288 21.843 3.400 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.107 20.596 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.483 22.599 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.853 23.015 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.264 23.216 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.844 20.578 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.638 21.107 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.477 19.516 3.332 1.00 0.00 H new ATOM 1278 N ILE A 80 -7.572 22.329 5.185 1.00 0.00 N ATOM 1279 CA ILE A 80 -6.711 22.816 6.254 1.00 0.00 C ATOM 1280 C ILE A 80 -7.431 23.849 7.114 1.00 0.00 C ATOM 1281 O ILE A 80 -7.276 23.873 8.335 1.00 0.00 O ATOM 1282 CB ILE A 80 -5.417 23.443 5.694 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -4.757 22.495 4.692 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -4.457 23.776 6.827 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -4.440 21.131 5.265 1.00 0.00 C ATOM 0 H ILE A 80 -7.272 22.596 4.247 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.452 21.953 6.868 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.673 24.367 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.415 22.374 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.836 22.949 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.549 24.217 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.929 24.484 7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.204 22.865 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.974 20.513 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.757 21.240 6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.361 20.656 5.604 1.00 0.00 H new ATOM 1297 N GLN A 81 -8.222 24.700 6.468 1.00 0.00 N ATOM 1298 CA GLN A 81 -8.967 25.735 7.174 1.00 0.00 C ATOM 1299 C GLN A 81 -10.453 25.395 7.226 1.00 0.00 C ATOM 1300 O GLN A 81 -11.190 25.638 6.270 1.00 0.00 O ATOM 1301 CB GLN A 81 -8.768 27.092 6.493 1.00 0.00 C ATOM 1302 CG GLN A 81 -7.332 27.588 6.538 1.00 0.00 C ATOM 1303 CD GLN A 81 -7.181 28.983 5.962 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -8.124 29.542 5.401 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -5.988 29.553 6.098 1.00 0.00 N ATOM 0 H GLN A 81 -8.363 24.693 5.458 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.587 25.788 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.086 27.018 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.414 27.828 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.982 27.585 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.695 26.899 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.235 29.053 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.826 30.490 5.730 1.00 0.00 H new ATOM 1314 N GLN A 82 -10.887 24.829 8.347 1.00 0.00 N ATOM 1315 CA GLN A 82 -12.285 24.456 8.524 1.00 0.00 C ATOM 1316 C GLN A 82 -13.123 25.662 8.936 1.00 0.00 C ATOM 1317 O GLN A 82 -13.310 25.926 10.123 1.00 0.00 O ATOM 1318 CB GLN A 82 -12.409 23.346 9.573 1.00 0.00 C ATOM 1319 CG GLN A 82 -13.039 22.072 9.036 1.00 0.00 C ATOM 1320 CD GLN A 82 -12.678 20.851 9.861 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -12.211 20.969 10.994 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -12.894 19.669 9.294 1.00 0.00 N ATOM 0 H GLN A 82 -10.290 24.619 9.147 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.661 24.087 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.418 23.115 9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.005 23.712 10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -14.123 22.186 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.718 21.918 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.283 19.618 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.671 18.812 9.800 1.00 0.00 H new ATOM 1331 N GLN A 83 -13.626 26.391 7.946 1.00 0.00 N ATOM 1332 CA GLN A 83 -14.444 27.571 8.204 1.00 0.00 C ATOM 1333 C GLN A 83 -15.526 27.726 7.140 1.00 0.00 C ATOM 1334 O GLN A 83 -16.719 27.676 7.442 1.00 0.00 O ATOM 1335 CB GLN A 83 -13.571 28.825 8.244 1.00 0.00 C ATOM 1336 CG GLN A 83 -12.639 28.880 9.445 1.00 0.00 C ATOM 1337 CD GLN A 83 -11.195 28.602 9.076 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -10.664 27.531 9.370 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -10.553 29.567 8.429 1.00 0.00 N ATOM 0 H GLN A 83 -13.482 26.186 6.957 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.927 27.442 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.977 28.873 7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.214 29.705 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.708 29.864 9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.967 28.153 10.188 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.033 30.439 8.206 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.579 29.437 8.155 1.00 0.00 H new ATOM 1348 N GLY A 84 -15.103 27.912 5.895 1.00 0.00 N ATOM 1349 CA GLY A 84 -16.048 28.071 4.805 1.00 0.00 C ATOM 1350 C GLY A 84 -16.267 29.525 4.437 1.00 0.00 C ATOM 1351 O GLY A 84 -15.768 29.995 3.415 1.00 0.00 O ATOM 0 H GLY A 84 -14.122 27.956 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.686 27.529 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -17.001 27.623 5.086 1.00 0.00 H new ATOM 1355 N TYR A 85 -17.018 30.237 5.271 1.00 0.00 N ATOM 1356 CA TYR A 85 -17.302 31.646 5.028 1.00 0.00 C ATOM 1357 C TYR A 85 -16.076 32.506 5.312 1.00 0.00 C ATOM 1358 O TYR A 85 -15.591 32.561 6.443 1.00 0.00 O ATOM 1359 CB TYR A 85 -18.476 32.107 5.896 1.00 0.00 C ATOM 1360 CG TYR A 85 -19.467 32.982 5.162 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -20.410 32.429 4.306 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -19.459 34.362 5.325 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -21.318 33.225 3.631 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -20.363 35.165 4.655 1.00 0.00 C ATOM 1365 CZ TYR A 85 -21.290 34.591 3.810 1.00 0.00 C ATOM 1366 OH TYR A 85 -22.192 35.387 3.143 1.00 0.00 O ATOM 0 H TYR A 85 -17.440 29.861 6.120 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.567 31.762 3.977 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.996 31.231 6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.088 32.654 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.435 31.359 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.735 34.815 5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.044 32.779 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -20.344 36.236 4.792 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.038 36.325 3.380 1.00 0.00 H new ATOM 1376 N ARG A 86 -15.577 33.176 4.278 1.00 0.00 N ATOM 1377 CA ARG A 86 -14.404 34.032 4.417 1.00 0.00 C ATOM 1378 C ARG A 86 -14.808 35.501 4.488 1.00 0.00 C ATOM 1379 O ARG A 86 -14.379 36.230 5.383 1.00 0.00 O ATOM 1380 CB ARG A 86 -13.444 33.812 3.247 1.00 0.00 C ATOM 1381 CG ARG A 86 -11.981 34.007 3.616 1.00 0.00 C ATOM 1382 CD ARG A 86 -11.105 32.912 3.028 1.00 0.00 C ATOM 1383 NE ARG A 86 -9.749 32.946 3.570 1.00 0.00 N ATOM 1384 CZ ARG A 86 -8.901 31.922 3.511 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -9.264 30.782 2.936 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -7.685 32.037 4.029 1.00 0.00 N ATOM 0 H ARG A 86 -15.966 33.143 3.336 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.900 33.766 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.581 32.802 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.702 34.500 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.641 34.978 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.877 34.014 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.553 31.940 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.065 33.022 1.944 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.433 33.805 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.198 30.687 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.609 30.001 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.400 32.910 4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.035 31.252 3.984 1.00 0.00 H new ATOM 1400 N GLY A 87 -15.635 35.930 3.540 1.00 0.00 N ATOM 1401 CA GLY A 87 -16.082 37.309 3.516 1.00 0.00 C ATOM 1402 C GLY A 87 -17.285 37.516 2.616 1.00 0.00 C ATOM 1403 O GLY A 87 -18.420 37.254 3.015 1.00 0.00 O ATOM 0 H GLY A 87 -16.003 35.347 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -16.332 37.624 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -15.265 37.946 3.177 1.00 0.00 H new ATOM 1407 N LYS A 88 -17.036 37.988 1.399 1.00 0.00 N ATOM 1408 CA LYS A 88 -18.107 38.232 0.440 1.00 0.00 C ATOM 1409 C LYS A 88 -17.607 38.061 -0.990 1.00 0.00 C ATOM 1410 O LYS A 88 -16.452 37.696 -1.215 1.00 0.00 O ATOM 1411 CB LYS A 88 -18.678 39.638 0.629 1.00 0.00 C ATOM 1412 CG LYS A 88 -17.615 40.724 0.675 1.00 0.00 C ATOM 1413 CD LYS A 88 -17.388 41.343 -0.697 1.00 0.00 C ATOM 1414 CE LYS A 88 -15.919 41.308 -1.090 1.00 0.00 C ATOM 1415 NZ LYS A 88 -15.075 42.101 -0.154 1.00 0.00 N ATOM 0 H LYS A 88 -16.102 38.209 1.054 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.895 37.500 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.370 39.853 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.255 39.666 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.916 41.499 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.680 40.303 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.977 40.807 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.740 42.375 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.572 40.275 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.804 41.698 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.131 42.237 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.517 43.028 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.987 41.593 0.749 1.00 0.00 H new ATOM 1429 N ASN A 89 -18.481 38.327 -1.956 1.00 0.00 N ATOM 1430 CA ASN A 89 -18.127 38.202 -3.366 1.00 0.00 C ATOM 1431 C ASN A 89 -17.829 36.749 -3.724 1.00 0.00 C ATOM 1432 O ASN A 89 -16.694 36.289 -3.598 1.00 0.00 O ATOM 1433 CB ASN A 89 -16.918 39.082 -3.693 1.00 0.00 C ATOM 1434 CG ASN A 89 -17.123 39.901 -4.952 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -17.922 39.544 -5.817 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -16.398 41.009 -5.061 1.00 0.00 N ATOM 0 H ASN A 89 -19.440 38.631 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 89 -18.978 38.536 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.722 39.751 -2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -16.036 38.453 -3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -16.492 41.601 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.747 41.268 -4.319 1.00 0.00 H new ATOM 1443 N SER A 90 -18.854 36.033 -4.174 1.00 0.00 N ATOM 1444 CA SER A 90 -18.701 34.633 -4.552 1.00 0.00 C ATOM 1445 C SER A 90 -18.789 34.465 -6.065 1.00 0.00 C ATOM 1446 O SER A 90 -19.456 35.242 -6.748 1.00 0.00 O ATOM 1447 CB SER A 90 -19.772 33.778 -3.870 1.00 0.00 C ATOM 1448 OG SER A 90 -20.977 34.507 -3.704 1.00 0.00 O ATOM 0 H SER A 90 -19.799 36.399 -4.286 1.00 0.00 H new ATOM 0 HA SER A 90 -17.716 34.300 -4.224 1.00 0.00 H new ATOM 0 HB2 SER A 90 -19.963 32.885 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 90 -19.410 33.442 -2.898 1.00 0.00 H new ATOM 0 HG SER A 90 -21.646 33.939 -3.268 1.00 0.00 H new ATOM 1454 N VAL A 91 -18.111 33.446 -6.583 1.00 0.00 N ATOM 1455 CA VAL A 91 -18.113 33.178 -8.015 1.00 0.00 C ATOM 1456 C VAL A 91 -19.172 32.143 -8.381 1.00 0.00 C ATOM 1457 O VAL A 91 -19.748 32.188 -9.467 1.00 0.00 O ATOM 1458 CB VAL A 91 -16.737 32.678 -8.496 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -15.726 33.814 -8.503 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -16.252 31.529 -7.624 1.00 0.00 C ATOM 0 H VAL A 91 -17.554 32.793 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 91 -18.343 34.121 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 91 -16.842 32.311 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.761 33.440 -8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -16.069 34.602 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.622 34.215 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.279 31.189 -7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -16.164 31.868 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -16.965 30.706 -7.676 1.00 0.00 H new ATOM 1470 N ALA A 92 -19.424 31.213 -7.466 1.00 0.00 N ATOM 1471 CA ALA A 92 -20.413 30.166 -7.693 1.00 0.00 C ATOM 1472 C ALA A 92 -20.813 29.496 -6.383 1.00 0.00 C ATOM 1473 O ALA A 92 -20.215 29.747 -5.337 1.00 0.00 O ATOM 1474 CB ALA A 92 -19.875 29.135 -8.673 1.00 0.00 C ATOM 0 H ALA A 92 -18.957 31.163 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.303 30.628 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -20.624 28.359 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -19.646 29.620 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -18.968 28.686 -8.267 1.00 0.00 H new ATOM 1480 N ALA A 93 -21.830 28.642 -6.448 1.00 0.00 N ATOM 1481 CA ALA A 93 -22.310 27.935 -5.268 1.00 0.00 C ATOM 1482 C ALA A 93 -21.644 26.570 -5.136 1.00 0.00 C ATOM 1483 O ALA A 93 -21.249 26.164 -4.043 1.00 0.00 O ATOM 1484 CB ALA A 93 -23.823 27.782 -5.323 1.00 0.00 C ATOM 0 H ALA A 93 -22.337 28.424 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 93 -22.047 28.525 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -24.168 27.252 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -24.287 28.767 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -24.099 27.217 -6.213 1.00 0.00 H new ATOM 1490 N ARG A 94 -21.521 25.867 -6.257 1.00 0.00 N ATOM 1491 CA ARG A 94 -20.902 24.546 -6.267 1.00 0.00 C ATOM 1492 C ARG A 94 -19.391 24.653 -6.096 1.00 0.00 C ATOM 1493 O ARG A 94 -18.684 25.108 -6.994 1.00 0.00 O ATOM 1494 CB ARG A 94 -21.230 23.816 -7.570 1.00 0.00 C ATOM 1495 CG ARG A 94 -21.556 22.343 -7.379 1.00 0.00 C ATOM 1496 CD ARG A 94 -22.747 21.918 -8.222 1.00 0.00 C ATOM 1497 NE ARG A 94 -22.375 21.685 -9.616 1.00 0.00 N ATOM 1498 CZ ARG A 94 -21.654 20.643 -10.026 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -21.227 19.738 -9.153 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -21.361 20.505 -11.311 1.00 0.00 N ATOM 0 H ARG A 94 -21.842 26.190 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 94 -21.305 23.977 -5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -22.077 24.308 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.383 23.907 -8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -20.688 21.740 -7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -21.767 22.150 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -23.180 21.009 -7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -23.517 22.688 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 94 -22.686 22.359 -10.315 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.451 19.839 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.675 18.942 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.688 21.197 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.809 19.707 -11.625 1.00 0.00 H new ATOM 1514 N SER A 95 -18.902 24.231 -4.933 1.00 0.00 N ATOM 1515 CA SER A 95 -17.473 24.279 -4.641 1.00 0.00 C ATOM 1516 C SER A 95 -16.696 23.330 -5.552 1.00 0.00 C ATOM 1517 O SER A 95 -15.837 23.760 -6.320 1.00 0.00 O ATOM 1518 CB SER A 95 -17.216 23.928 -3.173 1.00 0.00 C ATOM 1519 OG SER A 95 -18.432 23.732 -2.471 1.00 0.00 O ATOM 0 H SER A 95 -19.474 23.852 -4.178 1.00 0.00 H new ATOM 0 HA SER A 95 -17.125 25.295 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.609 23.024 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.645 24.727 -2.700 1.00 0.00 H new ATOM 0 HG SER A 95 -18.238 23.508 -1.537 1.00 0.00 H new ATOM 1525 N PRO A 96 -16.990 22.018 -5.480 1.00 0.00 N ATOM 1526 CA PRO A 96 -16.310 21.012 -6.303 1.00 0.00 C ATOM 1527 C PRO A 96 -16.622 21.173 -7.787 1.00 0.00 C ATOM 1528 O PRO A 96 -17.780 21.317 -8.176 1.00 0.00 O ATOM 1529 CB PRO A 96 -16.860 19.683 -5.781 1.00 0.00 C ATOM 1530 CG PRO A 96 -18.166 20.029 -5.154 1.00 0.00 C ATOM 1531 CD PRO A 96 -18.001 21.413 -4.593 1.00 0.00 C ATOM 0 HA PRO A 96 -15.226 21.093 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -16.988 18.963 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.181 19.232 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.971 19.999 -5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.423 19.318 -4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -18.938 21.970 -4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.665 21.390 -3.556 1.00 0.00 H new ATOM 1539 N GLU A 97 -15.580 21.147 -8.611 1.00 0.00 N ATOM 1540 CA GLU A 97 -15.740 21.290 -10.054 1.00 0.00 C ATOM 1541 C GLU A 97 -16.489 20.096 -10.637 1.00 0.00 C ATOM 1542 O GLU A 97 -17.484 20.260 -11.344 1.00 0.00 O ATOM 1543 CB GLU A 97 -14.373 21.433 -10.728 1.00 0.00 C ATOM 1544 CG GLU A 97 -14.312 22.559 -11.746 1.00 0.00 C ATOM 1545 CD GLU A 97 -13.357 23.665 -11.340 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -12.176 23.361 -11.075 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -13.792 24.835 -11.288 1.00 0.00 O ATOM 0 H GLU A 97 -14.615 21.028 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 97 -16.325 22.190 -10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -13.616 21.605 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -14.120 20.494 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -14.004 22.155 -12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -15.310 22.977 -11.879 1.00 0.00 H new ATOM 1554 N LYS A 98 -16.006 18.896 -10.337 1.00 0.00 N ATOM 1555 CA LYS A 98 -16.630 17.674 -10.832 1.00 0.00 C ATOM 1556 C LYS A 98 -17.402 16.969 -9.721 1.00 0.00 C ATOM 1557 O LYS A 98 -16.884 16.762 -8.625 1.00 0.00 O ATOM 1558 CB LYS A 98 -15.569 16.732 -11.409 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.043 15.961 -12.630 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.298 14.643 -12.778 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.120 13.621 -13.545 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.840 13.665 -15.006 1.00 0.00 N ATOM 0 H LYS A 98 -15.184 18.743 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.331 17.947 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.686 17.312 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.265 16.024 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.113 15.769 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.896 16.566 -13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.354 14.814 -13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.054 14.249 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.904 12.623 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.180 13.806 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.421 12.953 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.070 14.610 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.833 13.463 -15.173 1.00 0.00 H new ATOM 1576 N ALA A 99 -18.646 16.602 -10.015 1.00 0.00 N ATOM 1577 CA ALA A 99 -19.490 15.920 -9.043 1.00 0.00 C ATOM 1578 C ALA A 99 -20.822 15.510 -9.664 1.00 0.00 C ATOM 1579 O ALA A 99 -21.473 16.306 -10.341 1.00 0.00 O ATOM 1580 CB ALA A 99 -19.724 16.810 -7.831 1.00 0.00 C ATOM 0 H ALA A 99 -19.090 16.766 -10.918 1.00 0.00 H new ATOM 0 HA ALA A 99 -18.974 15.015 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -20.356 16.288 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -18.768 17.050 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -20.216 17.731 -8.145 1.00 0.00 H new ATOM 1586 N SER A 100 -21.219 14.263 -9.430 1.00 0.00 N ATOM 1587 CA SER A 100 -22.473 13.747 -9.968 1.00 0.00 C ATOM 1588 C SER A 100 -23.430 13.365 -8.842 1.00 0.00 C ATOM 1589 O SER A 100 -23.239 12.352 -8.169 1.00 0.00 O ATOM 1590 CB SER A 100 -22.209 12.536 -10.863 1.00 0.00 C ATOM 1591 OG SER A 100 -21.937 12.935 -12.195 1.00 0.00 O ATOM 0 H SER A 100 -20.691 13.592 -8.872 1.00 0.00 H new ATOM 0 HA SER A 100 -22.936 14.534 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.366 11.967 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 100 -23.074 11.874 -10.848 1.00 0.00 H new ATOM 0 HG SER A 100 -21.770 12.142 -12.746 1.00 0.00 H new ATOM 1597 N ASN A 101 -24.461 14.180 -8.647 1.00 0.00 N ATOM 1598 CA ASN A 101 -25.450 13.926 -7.604 1.00 0.00 C ATOM 1599 C ASN A 101 -26.819 13.638 -8.212 1.00 0.00 C ATOM 1600 O ASN A 101 -27.019 13.787 -9.415 1.00 0.00 O ATOM 1601 CB ASN A 101 -25.538 15.124 -6.656 1.00 0.00 C ATOM 1602 CG ASN A 101 -24.758 14.907 -5.374 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -23.684 14.305 -5.382 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -25.296 15.396 -4.263 1.00 0.00 N ATOM 0 H ASN A 101 -24.634 15.022 -9.197 1.00 0.00 H new ATOM 0 HA ASN A 101 -25.133 13.049 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -25.160 16.012 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -26.583 15.316 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -24.817 15.279 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -26.188 15.888 -4.302 1.00 0.00 H new ATOM 1611 N MET A 102 -27.759 13.224 -7.366 1.00 0.00 N ATOM 1612 CA MET A 102 -29.109 12.915 -7.819 1.00 0.00 C ATOM 1613 C MET A 102 -30.097 12.971 -6.658 1.00 0.00 C ATOM 1614 O MET A 102 -31.064 12.210 -6.615 1.00 0.00 O ATOM 1615 CB MET A 102 -29.148 11.532 -8.471 1.00 0.00 C ATOM 1616 CG MET A 102 -30.233 11.386 -9.525 1.00 0.00 C ATOM 1617 SD MET A 102 -29.668 11.854 -11.172 1.00 0.00 S ATOM 1618 CE MET A 102 -30.045 10.368 -12.096 1.00 0.00 C ATOM 0 H MET A 102 -27.609 13.095 -6.365 1.00 0.00 H new ATOM 0 HA MET A 102 -29.398 13.664 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 102 -28.180 11.328 -8.928 1.00 0.00 H new ATOM 0 HB3 MET A 102 -29.301 10.779 -7.698 1.00 0.00 H new ATOM 0 HG2 MET A 102 -30.579 10.353 -9.544 1.00 0.00 H new ATOM 0 HG3 MET A 102 -31.088 12.004 -9.249 1.00 0.00 H new ATOM 0 HE1 MET A 102 -29.752 10.503 -13.137 1.00 0.00 H new ATOM 0 HE2 MET A 102 -29.498 9.527 -11.671 1.00 0.00 H new ATOM 0 HE3 MET A 102 -31.115 10.169 -12.043 1.00 0.00 H new ATOM 1628 N GLU A 103 -29.847 13.879 -5.719 1.00 0.00 N ATOM 1629 CA GLU A 103 -30.712 14.037 -4.554 1.00 0.00 C ATOM 1630 C GLU A 103 -30.713 12.773 -3.700 1.00 0.00 C ATOM 1631 O GLU A 103 -30.744 11.659 -4.221 1.00 0.00 O ATOM 1632 CB GLU A 103 -32.140 14.371 -4.993 1.00 0.00 C ATOM 1633 CG GLU A 103 -32.242 15.650 -5.809 1.00 0.00 C ATOM 1634 CD GLU A 103 -33.425 16.507 -5.407 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -33.629 16.703 -4.190 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -34.148 16.981 -6.308 1.00 0.00 O ATOM 0 H GLU A 103 -29.052 14.517 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 103 -30.322 14.859 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -32.534 13.542 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -32.771 14.462 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -31.324 16.226 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -32.325 15.396 -6.866 1.00 0.00 H new ATOM 1643 N ASN A 104 -30.679 12.956 -2.384 1.00 0.00 N ATOM 1644 CA ASN A 104 -30.677 11.832 -1.455 1.00 0.00 C ATOM 1645 C ASN A 104 -31.477 12.162 -0.199 1.00 0.00 C ATOM 1646 O ASN A 104 -32.310 11.372 0.244 1.00 0.00 O ATOM 1647 CB ASN A 104 -29.242 11.460 -1.077 1.00 0.00 C ATOM 1648 CG ASN A 104 -28.442 12.655 -0.596 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -28.294 12.876 0.607 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -27.920 13.435 -1.535 1.00 0.00 N ATOM 0 H ASN A 104 -30.652 13.872 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 104 -31.148 10.982 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -29.260 10.700 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -28.745 11.017 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -27.372 14.254 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -28.067 13.215 -2.520 1.00 0.00 H new ATOM 1657 N ASN A 105 -31.218 13.335 0.368 1.00 0.00 N ATOM 1658 CA ASN A 105 -31.914 13.773 1.572 1.00 0.00 C ATOM 1659 C ASN A 105 -32.066 15.290 1.592 1.00 0.00 C ATOM 1660 O ASN A 105 -31.337 15.987 2.298 1.00 0.00 O ATOM 1661 CB ASN A 105 -31.162 13.303 2.821 1.00 0.00 C ATOM 1662 CG ASN A 105 -31.808 12.093 3.463 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -33.029 11.932 3.427 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -30.991 11.233 4.060 1.00 0.00 N ATOM 0 H ASN A 105 -30.531 14.000 0.013 1.00 0.00 H new ATOM 0 HA ASN A 105 -32.909 13.329 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -30.133 13.063 2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -31.121 14.117 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -31.369 10.400 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -29.986 11.405 4.066 1.00 0.00 H new ATOM 1671 N GLU A 106 -33.016 15.796 0.813 1.00 0.00 N ATOM 1672 CA GLU A 106 -33.263 17.231 0.740 1.00 0.00 C ATOM 1673 C GLU A 106 -34.683 17.562 1.192 1.00 0.00 C ATOM 1674 O GLU A 106 -34.873 17.827 2.397 1.00 0.00 O ATOM 1675 CB GLU A 106 -33.039 17.737 -0.686 1.00 0.00 C ATOM 1676 CG GLU A 106 -32.762 19.230 -0.766 1.00 0.00 C ATOM 1677 CD GLU A 106 -31.502 19.551 -1.547 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -31.580 19.635 -2.790 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -30.439 19.717 -0.915 1.00 0.00 O ATOM 1680 OXT GLU A 106 -35.592 17.553 0.335 1.00 0.00 O ATOM 0 H GLU A 106 -33.628 15.233 0.223 1.00 0.00 H new ATOM 0 HA GLU A 106 -32.562 17.729 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -32.201 17.196 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -33.919 17.507 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -33.611 19.728 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -32.672 19.633 0.243 1.00 0.00 H new TER 1687 GLU A 106