USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 53 MET CE :methyl 180:sc= -1.07 (180deg=-1.05) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= -0.0244 USER MOD Set 2.1: A 72 HIS : no HD1:sc= 1.15 K(o=1.2,f=-5!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 68 GLN : amide:sc= 1.29 K(o=1.8,f=-0.035) USER MOD Set 3.2: A 69 GLN : amide:sc= 0.555 K(o=1.8,f=0.63) USER MOD Set 4.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 59 TYR OH : rot -37:sc= 1.66 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 149:sc= 0.992 (180deg=0.0987) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.9) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.593 K(o=0.59,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.0706) USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.0662 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.107 USER MOD Single : A 58 GLN : amide:sc= 0.921 K(o=0.92,f=-0.51) USER MOD Single : A 64 GLN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.44 K(o=1.4,f=-0.017) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 160:sc= -0.541 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.302 USER MOD Single : A 96 SER OG : rot 180:sc=0.000902 USER MOD Single : A 101 MET CE :methyl -174:sc=-0.00096 (180deg=-0.00346) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.03 K(o=-1,f=-4.6!) USER MOD Single : A 108 THR OG1 : rot 130:sc= 0.325 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 8.540 16.441 12.794 1.00 0.00 N ATOM 2 CA GLN A 23 9.471 15.611 12.023 1.00 0.00 C ATOM 3 C GLN A 23 8.831 14.315 11.487 1.00 0.00 C ATOM 4 O GLN A 23 7.831 13.821 12.017 1.00 0.00 O ATOM 5 CB GLN A 23 10.747 15.339 12.846 1.00 0.00 C ATOM 6 CG GLN A 23 10.513 14.519 14.130 1.00 0.00 C ATOM 7 CD GLN A 23 11.786 14.280 14.949 1.00 0.00 C ATOM 8 OE1 GLN A 23 12.900 14.639 14.584 1.00 0.00 O ATOM 9 NE2 GLN A 23 11.674 13.653 16.103 1.00 0.00 N ATOM 0 HA GLN A 23 9.750 16.175 11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.464 14.811 12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.201 16.293 13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.783 15.036 14.753 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.078 13.556 13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.758 13.344 16.429 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.503 13.477 16.670 1.00 0.00 H new ATOM 18 N ILE A 24 9.429 13.767 10.425 1.00 0.00 N ATOM 19 CA ILE A 24 8.984 12.563 9.707 1.00 0.00 C ATOM 20 C ILE A 24 9.834 11.344 10.105 1.00 0.00 C ATOM 21 O ILE A 24 11.015 11.471 10.432 1.00 0.00 O ATOM 22 CB ILE A 24 9.021 12.841 8.184 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.983 13.904 7.762 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.771 11.551 7.387 1.00 0.00 C ATOM 25 CD1 ILE A 24 8.281 14.582 6.417 1.00 0.00 C ATOM 0 H ILE A 24 10.276 14.167 10.022 1.00 0.00 H new ATOM 0 HA ILE A 24 7.957 12.323 9.983 1.00 0.00 H new ATOM 0 HB ILE A 24 10.017 13.224 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.001 13.434 7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.929 14.669 8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.802 11.771 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.541 10.819 7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.792 11.147 7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.503 15.313 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.247 15.084 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.305 13.830 5.628 1.00 0.00 H new ATOM 37 N ASN A 25 9.235 10.148 10.040 1.00 0.00 N ATOM 38 CA ASN A 25 9.843 8.868 10.426 1.00 0.00 C ATOM 39 C ASN A 25 10.024 7.911 9.223 1.00 0.00 C ATOM 40 O ASN A 25 9.699 6.722 9.272 1.00 0.00 O ATOM 41 CB ASN A 25 9.025 8.273 11.584 1.00 0.00 C ATOM 42 CG ASN A 25 8.673 9.256 12.697 1.00 0.00 C ATOM 43 OD1 ASN A 25 7.526 9.375 13.105 1.00 0.00 O ATOM 44 ND2 ASN A 25 9.621 10.003 13.221 1.00 0.00 N ATOM 0 H ASN A 25 8.278 10.041 9.705 1.00 0.00 H new ATOM 0 HA ASN A 25 10.861 9.032 10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.101 7.858 11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.585 7.444 12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.395 10.671 13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.582 9.914 12.890 1.00 0.00 H new ATOM 51 N GLN A 26 10.500 8.477 8.113 1.00 0.00 N ATOM 52 CA GLN A 26 10.635 7.893 6.770 1.00 0.00 C ATOM 53 C GLN A 26 12.050 8.105 6.193 1.00 0.00 C ATOM 54 O GLN A 26 12.948 8.522 6.925 1.00 0.00 O ATOM 55 CB GLN A 26 9.428 8.253 5.897 1.00 0.00 C ATOM 56 CG GLN A 26 8.448 7.064 5.971 1.00 0.00 C ATOM 57 CD GLN A 26 8.943 5.865 5.151 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.117 5.930 3.945 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.282 4.758 5.777 1.00 0.00 N ATOM 0 H GLN A 26 10.831 9.442 8.128 1.00 0.00 H new ATOM 0 HA GLN A 26 10.582 6.805 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.953 9.167 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.737 8.435 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.318 6.764 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.470 7.376 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.146 4.680 6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.681 3.978 5.254 1.00 0.00 H new ATOM 68 N VAL A 27 12.292 7.772 4.919 1.00 0.00 N ATOM 69 CA VAL A 27 13.663 7.649 4.374 1.00 0.00 C ATOM 70 C VAL A 27 14.150 8.808 3.499 1.00 0.00 C ATOM 71 O VAL A 27 13.391 9.469 2.792 1.00 0.00 O ATOM 72 CB VAL A 27 13.793 6.292 3.631 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.212 5.967 3.142 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.359 5.110 4.514 1.00 0.00 C ATOM 0 H VAL A 27 11.557 7.581 4.238 1.00 0.00 H new ATOM 0 HA VAL A 27 14.327 7.692 5.237 1.00 0.00 H new ATOM 0 HB VAL A 27 13.138 6.417 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.210 5.002 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.544 6.740 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.890 5.928 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.466 4.180 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.986 5.072 5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.317 5.239 4.808 1.00 0.00 H new ATOM 84 N ARG A 28 15.467 9.041 3.587 1.00 0.00 N ATOM 85 CA ARG A 28 16.235 10.095 2.912 1.00 0.00 C ATOM 86 C ARG A 28 16.687 9.633 1.513 1.00 0.00 C ATOM 87 O ARG A 28 17.388 8.622 1.419 1.00 0.00 O ATOM 88 CB ARG A 28 17.422 10.467 3.831 1.00 0.00 C ATOM 89 CG ARG A 28 18.412 11.482 3.233 1.00 0.00 C ATOM 90 CD ARG A 28 19.604 11.757 4.164 1.00 0.00 C ATOM 91 NE ARG A 28 19.233 12.588 5.330 1.00 0.00 N ATOM 92 CZ ARG A 28 19.250 13.909 5.405 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.629 14.658 4.409 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.868 14.513 6.491 1.00 0.00 N ATOM 0 H ARG A 28 16.064 8.457 4.172 1.00 0.00 H new ATOM 0 HA ARG A 28 15.622 10.981 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.028 10.872 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.966 9.557 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.780 11.107 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.890 12.417 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 28 20.014 10.809 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 20.392 12.257 3.601 1.00 0.00 H new ATOM 0 HE ARG A 28 18.931 12.089 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.926 14.229 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.628 15.673 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.552 13.968 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.884 15.532 6.541 1.00 0.00 H new ATOM 108 N PRO A 29 16.328 10.352 0.429 1.00 0.00 N ATOM 109 CA PRO A 29 16.856 10.100 -0.914 1.00 0.00 C ATOM 110 C PRO A 29 18.365 10.367 -1.028 1.00 0.00 C ATOM 111 O PRO A 29 18.948 11.080 -0.208 1.00 0.00 O ATOM 112 CB PRO A 29 16.076 11.024 -1.856 1.00 0.00 C ATOM 113 CG PRO A 29 14.848 11.458 -1.062 1.00 0.00 C ATOM 114 CD PRO A 29 15.335 11.413 0.382 1.00 0.00 C ATOM 0 HA PRO A 29 16.731 9.047 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.678 11.883 -2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.790 10.504 -2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.518 12.458 -1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.005 10.786 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.768 12.368 0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.512 11.209 1.067 1.00 0.00 H new ATOM 122 N LYS A 30 18.992 9.857 -2.094 1.00 0.00 N ATOM 123 CA LYS A 30 20.377 10.205 -2.458 1.00 0.00 C ATOM 124 C LYS A 30 20.454 11.670 -2.913 1.00 0.00 C ATOM 125 O LYS A 30 19.448 12.268 -3.292 1.00 0.00 O ATOM 126 CB LYS A 30 20.891 9.220 -3.528 1.00 0.00 C ATOM 127 CG LYS A 30 22.401 8.951 -3.449 1.00 0.00 C ATOM 128 CD LYS A 30 22.881 8.118 -4.646 1.00 0.00 C ATOM 129 CE LYS A 30 24.391 7.857 -4.530 1.00 0.00 C ATOM 130 NZ LYS A 30 24.902 7.026 -5.655 1.00 0.00 N ATOM 0 H LYS A 30 18.556 9.191 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 30 21.028 10.112 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.357 8.275 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.653 9.614 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.941 9.898 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.631 8.426 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.341 7.172 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.664 8.643 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.923 8.808 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.601 7.356 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.924 6.874 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.413 6.108 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.726 7.515 -6.556 1.00 0.00 H new ATOM 144 N LEU A 31 21.660 12.229 -2.934 1.00 0.00 N ATOM 145 CA LEU A 31 21.937 13.659 -3.156 1.00 0.00 C ATOM 146 C LEU A 31 21.269 14.254 -4.413 1.00 0.00 C ATOM 147 O LEU A 31 20.553 15.240 -4.250 1.00 0.00 O ATOM 148 CB LEU A 31 23.461 13.916 -3.135 1.00 0.00 C ATOM 149 CG LEU A 31 24.164 13.650 -1.787 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.665 13.897 -1.937 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.645 14.546 -0.660 1.00 0.00 C ATOM 0 H LEU A 31 22.510 11.683 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 31 21.472 14.192 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.927 13.291 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.640 14.953 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 31 23.953 12.614 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.162 13.709 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.070 13.227 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.835 14.931 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.176 14.314 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.811 15.591 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.578 14.372 -0.519 1.00 0.00 H new ATOM 163 N PRO A 32 21.392 13.682 -5.635 1.00 0.00 N ATOM 164 CA PRO A 32 20.712 14.221 -6.823 1.00 0.00 C ATOM 165 C PRO A 32 19.195 14.201 -6.723 1.00 0.00 C ATOM 166 O PRO A 32 18.530 15.133 -7.172 1.00 0.00 O ATOM 167 CB PRO A 32 21.229 13.403 -8.014 1.00 0.00 C ATOM 168 CG PRO A 32 21.711 12.099 -7.382 1.00 0.00 C ATOM 169 CD PRO A 32 22.237 12.557 -6.025 1.00 0.00 C ATOM 0 HA PRO A 32 20.943 15.280 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.443 13.225 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.038 13.919 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.902 11.376 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.490 11.624 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.182 11.753 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.283 12.857 -6.091 1.00 0.00 H new ATOM 177 N LEU A 33 18.645 13.179 -6.074 1.00 0.00 N ATOM 178 CA LEU A 33 17.205 13.050 -5.913 1.00 0.00 C ATOM 179 C LEU A 33 16.677 14.059 -4.888 1.00 0.00 C ATOM 180 O LEU A 33 15.731 14.793 -5.166 1.00 0.00 O ATOM 181 CB LEU A 33 16.904 11.574 -5.611 1.00 0.00 C ATOM 182 CG LEU A 33 15.562 11.164 -6.211 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.385 9.664 -6.362 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.356 11.639 -5.399 1.00 0.00 C ATOM 0 H LEU A 33 19.182 12.424 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 33 16.663 13.307 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.697 10.946 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.890 11.414 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 33 15.592 11.648 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.407 9.455 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.163 9.270 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.458 9.189 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.438 11.311 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.405 11.218 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.365 12.727 -5.337 1.00 0.00 H new ATOM 196 N LEU A 34 17.356 14.200 -3.750 1.00 0.00 N ATOM 197 CA LEU A 34 17.037 15.236 -2.769 1.00 0.00 C ATOM 198 C LEU A 34 17.198 16.648 -3.365 1.00 0.00 C ATOM 199 O LEU A 34 16.373 17.507 -3.075 1.00 0.00 O ATOM 200 CB LEU A 34 17.906 15.000 -1.519 1.00 0.00 C ATOM 201 CG LEU A 34 17.578 15.910 -0.320 1.00 0.00 C ATOM 202 CD1 LEU A 34 16.133 15.747 0.157 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.496 15.551 0.849 1.00 0.00 C ATOM 0 H LEU A 34 18.139 13.603 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 34 15.989 15.172 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.796 13.961 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.952 15.143 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 34 17.723 16.939 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.952 16.410 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.451 16.001 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.965 14.714 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.268 16.192 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.340 14.509 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.535 15.696 0.553 1.00 0.00 H new ATOM 215 N LYS A 35 18.167 16.881 -4.266 1.00 0.00 N ATOM 216 CA LYS A 35 18.337 18.154 -4.989 1.00 0.00 C ATOM 217 C LYS A 35 17.136 18.530 -5.861 1.00 0.00 C ATOM 218 O LYS A 35 16.655 19.652 -5.759 1.00 0.00 O ATOM 219 CB LYS A 35 19.634 18.118 -5.828 1.00 0.00 C ATOM 220 CG LYS A 35 20.321 19.490 -5.848 1.00 0.00 C ATOM 221 CD LYS A 35 21.069 19.746 -4.524 1.00 0.00 C ATOM 222 CE LYS A 35 22.467 19.103 -4.461 1.00 0.00 C ATOM 223 NZ LYS A 35 23.469 19.829 -5.296 1.00 0.00 N ATOM 0 H LYS A 35 18.865 16.181 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 35 18.410 18.935 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.315 17.373 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.402 17.810 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.021 19.539 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.578 20.272 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.168 20.821 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.467 19.365 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.808 19.083 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.402 18.068 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.392 19.357 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.160 19.826 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.553 20.810 -4.962 1.00 0.00 H new ATOM 237 N ILE A 36 16.609 17.596 -6.657 1.00 0.00 N ATOM 238 CA ILE A 36 15.379 17.752 -7.464 1.00 0.00 C ATOM 239 C ILE A 36 14.201 18.148 -6.541 1.00 0.00 C ATOM 240 O ILE A 36 13.504 19.125 -6.800 1.00 0.00 O ATOM 241 CB ILE A 36 15.108 16.434 -8.219 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.200 16.235 -9.293 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.724 16.412 -8.892 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.363 14.772 -9.700 1.00 0.00 C ATOM 0 H ILE A 36 17.036 16.676 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 36 15.498 18.547 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 36 15.127 15.626 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.951 16.828 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.150 16.611 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.586 15.462 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.949 16.529 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.656 17.229 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.143 14.690 -10.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.640 14.180 -8.828 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.422 14.400 -10.106 1.00 0.00 H new ATOM 256 N LEU A 37 14.016 17.446 -5.413 1.00 0.00 N ATOM 257 CA LEU A 37 12.939 17.664 -4.441 1.00 0.00 C ATOM 258 C LEU A 37 13.070 19.010 -3.713 1.00 0.00 C ATOM 259 O LEU A 37 12.094 19.740 -3.554 1.00 0.00 O ATOM 260 CB LEU A 37 12.988 16.482 -3.452 1.00 0.00 C ATOM 261 CG LEU A 37 12.337 15.173 -3.927 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.355 14.844 -5.422 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.876 13.994 -3.120 1.00 0.00 C ATOM 0 H LEU A 37 14.637 16.683 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 37 11.977 17.708 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.032 16.278 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.503 16.790 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 37 11.279 15.355 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.857 13.889 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.835 15.627 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.387 14.781 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.408 13.072 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.956 13.925 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.650 14.142 -2.064 1.00 0.00 H new ATOM 275 N HIS A 38 14.282 19.385 -3.312 1.00 0.00 N ATOM 276 CA HIS A 38 14.582 20.677 -2.688 1.00 0.00 C ATOM 277 C HIS A 38 14.419 21.833 -3.671 1.00 0.00 C ATOM 278 O HIS A 38 13.779 22.823 -3.322 1.00 0.00 O ATOM 279 CB HIS A 38 16.000 20.620 -2.095 1.00 0.00 C ATOM 280 CG HIS A 38 16.069 19.996 -0.716 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.157 20.080 0.160 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.048 19.352 -0.079 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.759 19.485 1.300 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.493 19.046 1.186 1.00 0.00 N ATOM 0 H HIS A 38 15.103 18.788 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 38 13.867 20.866 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.642 20.055 -2.770 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.402 21.632 -2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.075 19.126 -0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.371 19.375 2.183 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.957 18.569 1.911 1.00 0.00 H new ATOM 292 N ALA A 39 14.853 21.668 -4.924 1.00 0.00 N ATOM 293 CA ALA A 39 14.630 22.643 -5.991 1.00 0.00 C ATOM 294 C ALA A 39 13.135 22.834 -6.306 1.00 0.00 C ATOM 295 O ALA A 39 12.745 23.877 -6.836 1.00 0.00 O ATOM 296 CB ALA A 39 15.452 22.215 -7.208 1.00 0.00 C ATOM 0 H ALA A 39 15.374 20.845 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 39 14.967 23.628 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.301 22.929 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.509 22.186 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.133 21.225 -7.533 1.00 0.00 H new ATOM 302 N ALA A 40 12.291 21.866 -5.925 1.00 0.00 N ATOM 303 CA ALA A 40 10.842 22.002 -5.950 1.00 0.00 C ATOM 304 C ALA A 40 10.259 22.657 -4.680 1.00 0.00 C ATOM 305 O ALA A 40 9.166 23.220 -4.750 1.00 0.00 O ATOM 306 CB ALA A 40 10.218 20.624 -6.180 1.00 0.00 C ATOM 0 H ALA A 40 12.607 20.957 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 40 10.593 22.678 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.132 20.715 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.566 20.221 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.511 19.953 -5.373 1.00 0.00 H new ATOM 312 N GLY A 41 10.944 22.568 -3.530 1.00 0.00 N ATOM 313 CA GLY A 41 10.477 23.061 -2.227 1.00 0.00 C ATOM 314 C GLY A 41 9.896 21.975 -1.307 1.00 0.00 C ATOM 315 O GLY A 41 8.814 22.168 -0.747 1.00 0.00 O ATOM 0 H GLY A 41 11.867 22.137 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.309 23.545 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.717 23.824 -2.392 1.00 0.00 H new ATOM 319 N ALA A 42 10.577 20.829 -1.160 1.00 0.00 N ATOM 320 CA ALA A 42 10.148 19.749 -0.257 1.00 0.00 C ATOM 321 C ALA A 42 10.112 20.156 1.232 1.00 0.00 C ATOM 322 O ALA A 42 10.865 21.025 1.680 1.00 0.00 O ATOM 323 CB ALA A 42 11.015 18.505 -0.474 1.00 0.00 C ATOM 0 H ALA A 42 11.440 20.624 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 42 9.114 19.519 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.689 17.712 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.916 18.168 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.058 18.748 -0.270 1.00 0.00 H new ATOM 329 N GLN A 43 9.254 19.485 2.011 1.00 0.00 N ATOM 330 CA GLN A 43 8.947 19.814 3.413 1.00 0.00 C ATOM 331 C GLN A 43 9.841 19.060 4.429 1.00 0.00 C ATOM 332 O GLN A 43 9.408 18.717 5.532 1.00 0.00 O ATOM 333 CB GLN A 43 7.430 19.626 3.633 1.00 0.00 C ATOM 334 CG GLN A 43 6.865 20.476 4.784 1.00 0.00 C ATOM 335 CD GLN A 43 5.367 20.241 4.980 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.932 19.495 5.850 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.514 20.854 4.182 1.00 0.00 N ATOM 0 H GLN A 43 8.737 18.673 1.675 1.00 0.00 H new ATOM 0 HA GLN A 43 9.194 20.858 3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.904 19.880 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.228 18.574 3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.394 20.237 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.044 21.531 4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.857 21.479 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.512 20.703 4.295 1.00 0.00 H new ATOM 346 N GLY A 44 11.088 18.756 4.050 1.00 0.00 N ATOM 347 CA GLY A 44 12.030 17.980 4.866 1.00 0.00 C ATOM 348 C GLY A 44 13.182 17.359 4.073 1.00 0.00 C ATOM 349 O GLY A 44 13.569 17.843 3.009 1.00 0.00 O ATOM 0 H GLY A 44 11.477 19.047 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.443 18.628 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.484 17.186 5.375 1.00 0.00 H new ATOM 353 N GLU A 45 13.719 16.261 4.608 1.00 0.00 N ATOM 354 CA GLU A 45 14.778 15.433 3.999 1.00 0.00 C ATOM 355 C GLU A 45 14.503 13.915 4.098 1.00 0.00 C ATOM 356 O GLU A 45 15.344 13.110 3.712 1.00 0.00 O ATOM 357 CB GLU A 45 16.131 15.750 4.656 1.00 0.00 C ATOM 358 CG GLU A 45 16.582 17.213 4.573 1.00 0.00 C ATOM 359 CD GLU A 45 18.010 17.333 5.131 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.204 17.247 6.368 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.981 17.382 4.340 1.00 0.00 O ATOM 0 H GLU A 45 13.420 15.904 5.515 1.00 0.00 H new ATOM 0 HA GLU A 45 14.796 15.685 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.080 15.463 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.895 15.126 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.552 17.557 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.902 17.849 5.140 1.00 0.00 H new ATOM 368 N MET A 46 13.346 13.517 4.637 1.00 0.00 N ATOM 369 CA MET A 46 12.923 12.136 4.934 1.00 0.00 C ATOM 370 C MET A 46 11.447 12.012 4.551 1.00 0.00 C ATOM 371 O MET A 46 10.618 12.694 5.146 1.00 0.00 O ATOM 372 CB MET A 46 13.073 11.874 6.442 1.00 0.00 C ATOM 373 CG MET A 46 14.536 11.644 6.836 1.00 0.00 C ATOM 374 SD MET A 46 14.822 11.246 8.585 1.00 0.00 S ATOM 375 CE MET A 46 14.323 12.799 9.383 1.00 0.00 C ATOM 0 H MET A 46 12.628 14.194 4.897 1.00 0.00 H new ATOM 0 HA MET A 46 13.530 11.419 4.381 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.675 12.722 7.000 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.480 11.003 6.720 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.935 10.833 6.227 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.106 12.539 6.587 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.543 12.747 10.449 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.873 13.629 8.939 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.254 12.954 9.240 1.00 0.00 H new ATOM 385 N PHE A 47 11.108 11.182 3.562 1.00 0.00 N ATOM 386 CA PHE A 47 9.724 11.059 3.063 1.00 0.00 C ATOM 387 C PHE A 47 9.406 9.666 2.487 1.00 0.00 C ATOM 388 O PHE A 47 10.290 8.853 2.213 1.00 0.00 O ATOM 389 CB PHE A 47 9.409 12.145 2.004 1.00 0.00 C ATOM 390 CG PHE A 47 10.440 13.238 1.796 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.694 12.909 1.250 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.160 14.570 2.151 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.663 13.902 1.071 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.112 15.576 1.911 1.00 0.00 C ATOM 395 CZ PHE A 47 12.364 15.243 1.366 1.00 0.00 C ATOM 0 H PHE A 47 11.775 10.577 3.083 1.00 0.00 H new ATOM 0 HA PHE A 47 9.085 11.204 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.249 11.647 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.466 12.619 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.909 11.889 0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.214 14.820 2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.644 13.637 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.881 16.605 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.094 16.015 1.175 1.00 0.00 H new ATOM 405 N THR A 48 8.114 9.407 2.287 1.00 0.00 N ATOM 406 CA THR A 48 7.550 8.211 1.632 1.00 0.00 C ATOM 407 C THR A 48 7.572 8.321 0.110 1.00 0.00 C ATOM 408 O THR A 48 7.684 9.419 -0.426 1.00 0.00 O ATOM 409 CB THR A 48 6.093 8.041 2.080 1.00 0.00 C ATOM 410 OG1 THR A 48 5.445 9.285 1.946 1.00 0.00 O ATOM 411 CG2 THR A 48 6.020 7.644 3.539 1.00 0.00 C ATOM 0 H THR A 48 7.388 10.056 2.591 1.00 0.00 H new ATOM 0 HA THR A 48 8.162 7.357 1.921 1.00 0.00 H new ATOM 0 HB THR A 48 5.626 7.268 1.470 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.563 9.242 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.977 7.530 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.544 6.700 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.487 8.417 4.150 1.00 0.00 H new ATOM 419 N VAL A 49 7.357 7.201 -0.595 1.00 0.00 N ATOM 420 CA VAL A 49 7.293 7.083 -2.066 1.00 0.00 C ATOM 421 C VAL A 49 6.313 8.098 -2.653 1.00 0.00 C ATOM 422 O VAL A 49 6.597 8.782 -3.640 1.00 0.00 O ATOM 423 CB VAL A 49 6.950 5.634 -2.477 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.509 5.193 -2.208 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.285 5.378 -3.950 1.00 0.00 C ATOM 0 H VAL A 49 7.215 6.303 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 49 8.274 7.315 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 49 7.579 5.028 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.377 4.161 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.299 5.266 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.823 5.837 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.032 4.349 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.712 6.061 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.350 5.542 -4.115 1.00 0.00 H new ATOM 435 N LYS A 50 5.180 8.245 -1.959 1.00 0.00 N ATOM 436 CA LYS A 50 4.065 9.087 -2.350 1.00 0.00 C ATOM 437 C LYS A 50 4.357 10.583 -2.186 1.00 0.00 C ATOM 438 O LYS A 50 3.889 11.385 -2.989 1.00 0.00 O ATOM 439 CB LYS A 50 2.838 8.565 -1.592 1.00 0.00 C ATOM 440 CG LYS A 50 2.754 8.966 -0.113 1.00 0.00 C ATOM 441 CD LYS A 50 1.508 8.372 0.557 1.00 0.00 C ATOM 442 CE LYS A 50 1.477 8.752 2.044 1.00 0.00 C ATOM 443 NZ LYS A 50 0.248 8.246 2.716 1.00 0.00 N ATOM 0 H LYS A 50 5.017 7.759 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 50 3.870 9.019 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.941 8.922 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.829 7.477 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.648 8.625 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.731 10.053 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.609 8.739 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.511 7.287 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.357 8.346 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.526 9.836 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.262 8.522 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.592 8.653 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.214 7.209 2.643 1.00 0.00 H new ATOM 457 N GLU A 51 5.191 10.949 -1.209 1.00 0.00 N ATOM 458 CA GLU A 51 5.697 12.316 -1.036 1.00 0.00 C ATOM 459 C GLU A 51 6.870 12.612 -1.983 1.00 0.00 C ATOM 460 O GLU A 51 6.822 13.605 -2.707 1.00 0.00 O ATOM 461 CB GLU A 51 6.089 12.555 0.430 1.00 0.00 C ATOM 462 CG GLU A 51 4.901 12.535 1.403 1.00 0.00 C ATOM 463 CD GLU A 51 3.961 13.741 1.208 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.173 14.794 1.858 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.985 13.642 0.423 1.00 0.00 O ATOM 0 H GLU A 51 5.539 10.297 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 51 4.897 13.008 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.807 11.793 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.594 13.518 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.337 11.612 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.274 12.530 2.427 1.00 0.00 H new ATOM 472 N VAL A 52 7.889 11.740 -2.064 1.00 0.00 N ATOM 473 CA VAL A 52 9.047 11.946 -2.956 1.00 0.00 C ATOM 474 C VAL A 52 8.631 12.131 -4.409 1.00 0.00 C ATOM 475 O VAL A 52 9.067 13.072 -5.071 1.00 0.00 O ATOM 476 CB VAL A 52 10.108 10.837 -2.869 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.814 10.855 -1.516 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.662 9.415 -3.154 1.00 0.00 C ATOM 0 H VAL A 52 7.936 10.879 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 52 9.504 12.866 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 52 10.775 11.098 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.559 10.060 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.305 11.818 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.083 10.700 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.513 8.740 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.887 9.127 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.266 9.354 -4.168 1.00 0.00 H new ATOM 488 N MET A 53 7.744 11.261 -4.886 1.00 0.00 N ATOM 489 CA MET A 53 7.216 11.356 -6.248 1.00 0.00 C ATOM 490 C MET A 53 6.248 12.542 -6.452 1.00 0.00 C ATOM 491 O MET A 53 6.199 13.085 -7.554 1.00 0.00 O ATOM 492 CB MET A 53 6.696 9.990 -6.727 1.00 0.00 C ATOM 493 CG MET A 53 5.225 9.676 -6.421 1.00 0.00 C ATOM 494 SD MET A 53 3.987 10.481 -7.483 1.00 0.00 S ATOM 495 CE MET A 53 4.473 9.864 -9.121 1.00 0.00 C ATOM 0 H MET A 53 7.373 10.478 -4.348 1.00 0.00 H new ATOM 0 HA MET A 53 8.042 11.609 -6.913 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.842 9.928 -7.805 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.313 9.212 -6.276 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.085 8.597 -6.490 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.024 9.958 -5.388 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.803 10.273 -9.877 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.496 10.172 -9.337 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.412 8.776 -9.133 1.00 0.00 H new ATOM 505 N HIS A 54 5.567 13.042 -5.408 1.00 0.00 N ATOM 506 CA HIS A 54 4.724 14.250 -5.512 1.00 0.00 C ATOM 507 C HIS A 54 5.566 15.492 -5.817 1.00 0.00 C ATOM 508 O HIS A 54 5.199 16.305 -6.670 1.00 0.00 O ATOM 509 CB HIS A 54 3.917 14.473 -4.224 1.00 0.00 C ATOM 510 CG HIS A 54 3.121 15.757 -4.242 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.900 15.952 -4.894 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.517 16.937 -3.679 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.588 17.248 -4.707 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.541 17.861 -3.982 1.00 0.00 N ATOM 0 H HIS A 54 5.583 12.627 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 54 4.031 14.089 -6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.238 13.633 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.598 14.486 -3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.418 17.111 -3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.698 17.728 -5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.541 18.842 -3.704 1.00 0.00 H new ATOM 522 N TYR A 55 6.737 15.603 -5.182 1.00 0.00 N ATOM 523 CA TYR A 55 7.683 16.678 -5.474 1.00 0.00 C ATOM 524 C TYR A 55 8.183 16.651 -6.923 1.00 0.00 C ATOM 525 O TYR A 55 8.489 17.715 -7.447 1.00 0.00 O ATOM 526 CB TYR A 55 8.863 16.650 -4.499 1.00 0.00 C ATOM 527 CG TYR A 55 8.480 16.773 -3.036 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.702 17.859 -2.594 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.889 15.792 -2.118 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.290 17.935 -1.251 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.500 15.872 -0.769 1.00 0.00 C ATOM 532 CZ TYR A 55 7.699 16.949 -0.329 1.00 0.00 C ATOM 533 OH TYR A 55 7.357 17.075 0.983 1.00 0.00 O ATOM 0 H TYR A 55 7.051 14.956 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 55 7.138 17.613 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.411 15.718 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.545 17.462 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.420 18.637 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.506 14.971 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.660 18.749 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.813 15.111 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 55 7.713 16.315 1.488 1.00 0.00 H new ATOM 543 N LEU A 56 8.213 15.498 -7.609 1.00 0.00 N ATOM 544 CA LEU A 56 8.514 15.456 -9.048 1.00 0.00 C ATOM 545 C LEU A 56 7.422 16.163 -9.857 1.00 0.00 C ATOM 546 O LEU A 56 7.734 16.999 -10.697 1.00 0.00 O ATOM 547 CB LEU A 56 8.671 14.014 -9.562 1.00 0.00 C ATOM 548 CG LEU A 56 9.662 13.130 -8.799 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.649 11.724 -9.394 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.086 13.676 -8.846 1.00 0.00 C ATOM 0 H LEU A 56 8.033 14.585 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 56 9.462 15.976 -9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.693 13.533 -9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.981 14.054 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 56 9.347 13.114 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.354 11.093 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.647 11.303 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.937 11.771 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.749 13.013 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.419 13.736 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.110 14.670 -8.399 1.00 0.00 H new ATOM 562 N GLY A 57 6.147 15.890 -9.565 1.00 0.00 N ATOM 563 CA GLY A 57 5.020 16.544 -10.235 1.00 0.00 C ATOM 564 C GLY A 57 5.042 18.061 -10.054 1.00 0.00 C ATOM 565 O GLY A 57 5.011 18.803 -11.039 1.00 0.00 O ATOM 0 H GLY A 57 5.868 15.210 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.044 16.306 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.085 16.146 -9.841 1.00 0.00 H new ATOM 569 N GLN A 58 5.243 18.538 -8.818 1.00 0.00 N ATOM 570 CA GLN A 58 5.360 19.978 -8.557 1.00 0.00 C ATOM 571 C GLN A 58 6.635 20.575 -9.177 1.00 0.00 C ATOM 572 O GLN A 58 6.587 21.693 -9.685 1.00 0.00 O ATOM 573 CB GLN A 58 5.195 20.291 -7.055 1.00 0.00 C ATOM 574 CG GLN A 58 6.506 20.513 -6.277 1.00 0.00 C ATOM 575 CD GLN A 58 6.286 20.675 -4.768 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.388 20.102 -4.167 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.122 21.426 -4.083 1.00 0.00 N ATOM 0 H GLN A 58 5.327 17.951 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 58 4.534 20.479 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.577 21.183 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.650 19.470 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.174 19.670 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.006 21.401 -6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.879 21.914 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.013 21.520 -3.073 1.00 0.00 H new ATOM 586 N TYR A 59 7.753 19.834 -9.191 1.00 0.00 N ATOM 587 CA TYR A 59 9.003 20.258 -9.821 1.00 0.00 C ATOM 588 C TYR A 59 8.800 20.468 -11.322 1.00 0.00 C ATOM 589 O TYR A 59 9.115 21.527 -11.840 1.00 0.00 O ATOM 590 CB TYR A 59 10.103 19.214 -9.603 1.00 0.00 C ATOM 591 CG TYR A 59 11.432 19.557 -10.237 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.695 19.157 -11.562 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.415 20.239 -9.498 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.976 19.341 -12.114 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.694 20.420 -10.047 1.00 0.00 C ATOM 596 CZ TYR A 59 13.988 19.939 -11.334 1.00 0.00 C ATOM 597 OH TYR A 59 15.240 20.125 -11.814 1.00 0.00 O ATOM 0 H TYR A 59 7.811 18.912 -8.758 1.00 0.00 H new ATOM 0 HA TYR A 59 9.307 21.198 -9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.251 19.080 -8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.762 18.258 -10.000 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.912 18.708 -12.155 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.187 20.621 -8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.183 19.027 -13.126 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.456 20.931 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 59 15.490 19.364 -12.379 1.00 0.00 H new ATOM 607 N ILE A 60 8.219 19.497 -12.029 1.00 0.00 N ATOM 608 CA ILE A 60 7.946 19.601 -13.470 1.00 0.00 C ATOM 609 C ILE A 60 6.986 20.765 -13.738 1.00 0.00 C ATOM 610 O ILE A 60 7.200 21.540 -14.669 1.00 0.00 O ATOM 611 CB ILE A 60 7.373 18.263 -13.981 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.376 17.100 -13.824 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.959 18.358 -15.456 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.636 15.768 -13.680 1.00 0.00 C ATOM 0 H ILE A 60 7.922 18.611 -11.620 1.00 0.00 H new ATOM 0 HA ILE A 60 8.871 19.804 -14.010 1.00 0.00 H new ATOM 0 HB ILE A 60 6.497 18.058 -13.366 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.037 17.063 -14.690 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.004 17.270 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.560 17.398 -15.784 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.195 19.127 -15.571 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.828 18.616 -16.062 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.359 14.960 -13.570 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.994 15.802 -12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.027 15.592 -14.567 1.00 0.00 H new ATOM 626 N MET A 61 5.966 20.933 -12.894 1.00 0.00 N ATOM 627 CA MET A 61 4.982 22.009 -13.009 1.00 0.00 C ATOM 628 C MET A 61 5.611 23.407 -12.855 1.00 0.00 C ATOM 629 O MET A 61 5.304 24.299 -13.646 1.00 0.00 O ATOM 630 CB MET A 61 3.864 21.748 -11.987 1.00 0.00 C ATOM 631 CG MET A 61 2.632 22.622 -12.227 1.00 0.00 C ATOM 632 SD MET A 61 1.826 22.344 -13.831 1.00 0.00 S ATOM 633 CE MET A 61 1.715 24.061 -14.398 1.00 0.00 C ATOM 0 H MET A 61 5.799 20.315 -12.100 1.00 0.00 H new ATOM 0 HA MET A 61 4.561 22.007 -14.014 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.574 20.698 -12.031 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.245 21.932 -10.982 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.909 22.438 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.924 23.670 -12.156 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.241 24.090 -15.379 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.121 24.640 -13.691 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.716 24.487 -14.466 1.00 0.00 H new ATOM 643 N VAL A 62 6.540 23.598 -11.906 1.00 0.00 N ATOM 644 CA VAL A 62 7.272 24.872 -11.733 1.00 0.00 C ATOM 645 C VAL A 62 8.362 25.063 -12.796 1.00 0.00 C ATOM 646 O VAL A 62 8.489 26.145 -13.369 1.00 0.00 O ATOM 647 CB VAL A 62 7.792 25.027 -10.288 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.953 24.116 -9.888 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.261 26.451 -10.004 1.00 0.00 C ATOM 0 H VAL A 62 6.808 22.878 -11.235 1.00 0.00 H new ATOM 0 HA VAL A 62 6.565 25.686 -11.895 1.00 0.00 H new ATOM 0 HB VAL A 62 6.917 24.743 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.232 24.315 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.649 23.074 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.807 24.309 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.619 26.518 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.069 26.711 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.430 27.142 -10.144 1.00 0.00 H new ATOM 659 N LYS A 63 9.099 23.999 -13.137 1.00 0.00 N ATOM 660 CA LYS A 63 10.135 23.979 -14.189 1.00 0.00 C ATOM 661 C LYS A 63 9.600 23.920 -15.634 1.00 0.00 C ATOM 662 O LYS A 63 10.406 24.023 -16.556 1.00 0.00 O ATOM 663 CB LYS A 63 11.086 22.794 -13.951 1.00 0.00 C ATOM 664 CG LYS A 63 11.894 22.840 -12.650 1.00 0.00 C ATOM 665 CD LYS A 63 12.825 24.050 -12.522 1.00 0.00 C ATOM 666 CE LYS A 63 13.825 23.815 -11.379 1.00 0.00 C ATOM 667 NZ LYS A 63 15.047 23.092 -11.846 1.00 0.00 N ATOM 0 H LYS A 63 8.991 23.096 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 63 10.652 24.935 -14.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.500 21.875 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.782 22.737 -14.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.202 22.839 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.489 21.930 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.359 24.211 -13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.242 24.951 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.113 24.773 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.343 23.240 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.865 23.391 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.907 22.067 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.220 23.314 -12.847 1.00 0.00 H new ATOM 681 N GLN A 64 8.284 23.734 -15.832 1.00 0.00 N ATOM 682 CA GLN A 64 7.565 23.437 -17.081 1.00 0.00 C ATOM 683 C GLN A 64 8.356 22.509 -18.005 1.00 0.00 C ATOM 684 O GLN A 64 8.655 22.835 -19.156 1.00 0.00 O ATOM 685 CB GLN A 64 6.939 24.678 -17.736 1.00 0.00 C ATOM 686 CG GLN A 64 7.961 25.760 -18.086 1.00 0.00 C ATOM 687 CD GLN A 64 7.663 27.074 -17.370 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.273 28.071 -17.966 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.807 27.121 -16.061 1.00 0.00 N ATOM 0 H GLN A 64 7.636 23.794 -15.046 1.00 0.00 H new ATOM 0 HA GLN A 64 6.688 22.846 -16.815 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.415 24.376 -18.643 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.192 25.098 -17.062 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.960 25.417 -17.816 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.961 25.925 -19.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.131 26.298 -15.554 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.594 27.981 -15.555 1.00 0.00 H new ATOM 698 N LEU A 65 8.685 21.323 -17.475 1.00 0.00 N ATOM 699 CA LEU A 65 9.400 20.285 -18.206 1.00 0.00 C ATOM 700 C LEU A 65 8.382 19.379 -18.904 1.00 0.00 C ATOM 701 O LEU A 65 8.485 18.165 -18.821 1.00 0.00 O ATOM 702 CB LEU A 65 10.399 19.507 -17.309 1.00 0.00 C ATOM 703 CG LEU A 65 11.520 20.321 -16.649 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.445 19.398 -15.861 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.364 21.115 -17.644 1.00 0.00 C ATOM 0 H LEU A 65 8.457 21.061 -16.516 1.00 0.00 H new ATOM 0 HA LEU A 65 10.025 20.750 -18.968 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.832 19.010 -16.522 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.859 18.725 -17.913 1.00 0.00 H new ATOM 0 HG LEU A 65 11.023 21.035 -15.993 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.237 19.986 -15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.874 18.884 -15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.886 18.663 -16.535 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.136 21.666 -17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.832 20.431 -18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.727 21.816 -18.184 1.00 0.00 H new ATOM 717 N TYR A 66 7.344 19.952 -19.516 1.00 0.00 N ATOM 718 CA TYR A 66 6.311 19.203 -20.241 1.00 0.00 C ATOM 719 C TYR A 66 6.065 19.710 -21.675 1.00 0.00 C ATOM 720 O TYR A 66 6.481 20.811 -22.043 1.00 0.00 O ATOM 721 CB TYR A 66 5.015 19.135 -19.424 1.00 0.00 C ATOM 722 CG TYR A 66 4.470 20.482 -19.005 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.792 21.295 -19.928 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.672 20.925 -17.690 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.322 22.563 -19.540 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.189 22.186 -17.285 1.00 0.00 C ATOM 727 CZ TYR A 66 3.519 23.014 -18.217 1.00 0.00 C ATOM 728 OH TYR A 66 3.074 24.251 -17.857 1.00 0.00 O ATOM 0 H TYR A 66 7.194 20.961 -19.523 1.00 0.00 H new ATOM 0 HA TYR A 66 6.694 18.190 -20.363 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.257 18.616 -20.011 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.193 18.535 -18.532 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.631 20.946 -20.937 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.199 20.299 -16.986 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.811 23.191 -20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.330 22.519 -16.267 1.00 0.00 H new ATOM 0 HH TYR A 66 3.285 24.413 -16.914 1.00 0.00 H new ATOM 738 N ASP A 67 5.383 18.905 -22.497 1.00 0.00 N ATOM 739 CA ASP A 67 5.031 19.255 -23.880 1.00 0.00 C ATOM 740 C ASP A 67 3.877 20.269 -23.991 1.00 0.00 C ATOM 741 O ASP A 67 2.937 20.270 -23.194 1.00 0.00 O ATOM 742 CB ASP A 67 4.677 17.998 -24.674 1.00 0.00 C ATOM 743 CG ASP A 67 4.560 18.361 -26.154 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.594 18.742 -26.750 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.422 18.416 -26.665 1.00 0.00 O ATOM 0 H ASP A 67 5.055 17.980 -22.218 1.00 0.00 H new ATOM 0 HA ASP A 67 5.916 19.735 -24.297 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.443 17.235 -24.533 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.738 17.577 -24.314 1.00 0.00 H new ATOM 750 N GLN A 68 3.928 21.106 -25.031 1.00 0.00 N ATOM 751 CA GLN A 68 2.950 22.162 -25.308 1.00 0.00 C ATOM 752 C GLN A 68 1.566 21.641 -25.747 1.00 0.00 C ATOM 753 O GLN A 68 0.543 22.185 -25.326 1.00 0.00 O ATOM 754 CB GLN A 68 3.472 23.174 -26.348 1.00 0.00 C ATOM 755 CG GLN A 68 4.908 23.049 -26.902 1.00 0.00 C ATOM 756 CD GLN A 68 4.936 22.314 -28.244 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.685 22.898 -29.291 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.174 21.021 -28.298 1.00 0.00 N ATOM 0 H GLN A 68 4.674 21.066 -25.725 1.00 0.00 H new ATOM 0 HA GLN A 68 2.815 22.663 -24.349 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.793 23.141 -27.200 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.381 24.167 -25.907 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.339 24.043 -27.023 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.530 22.517 -26.183 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.386 20.505 -27.444 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.146 20.534 -29.194 1.00 0.00 H new ATOM 767 N GLN A 69 1.513 20.595 -26.579 1.00 0.00 N ATOM 768 CA GLN A 69 0.264 19.914 -26.946 1.00 0.00 C ATOM 769 C GLN A 69 -0.164 18.893 -25.875 1.00 0.00 C ATOM 770 O GLN A 69 -1.360 18.660 -25.687 1.00 0.00 O ATOM 771 CB GLN A 69 0.416 19.205 -28.304 1.00 0.00 C ATOM 772 CG GLN A 69 0.424 20.130 -29.534 1.00 0.00 C ATOM 773 CD GLN A 69 1.774 20.799 -29.785 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.749 20.172 -30.179 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.891 22.095 -29.583 1.00 0.00 N ATOM 0 H GLN A 69 2.340 20.194 -27.020 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.511 20.677 -27.019 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.344 18.633 -28.294 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.398 18.489 -28.414 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.145 19.552 -30.415 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.336 20.901 -29.404 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.090 22.634 -29.255 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.783 22.559 -29.755 1.00 0.00 H new ATOM 784 N GLU A 70 0.799 18.289 -25.170 1.00 0.00 N ATOM 785 CA GLU A 70 0.571 17.160 -24.249 1.00 0.00 C ATOM 786 C GLU A 70 1.162 17.390 -22.846 1.00 0.00 C ATOM 787 O GLU A 70 2.240 16.909 -22.511 1.00 0.00 O ATOM 788 CB GLU A 70 1.090 15.855 -24.883 1.00 0.00 C ATOM 789 CG GLU A 70 0.212 15.379 -26.047 1.00 0.00 C ATOM 790 CD GLU A 70 0.537 13.919 -26.417 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.019 12.998 -25.737 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.297 13.681 -27.388 1.00 0.00 O ATOM 0 H GLU A 70 1.777 18.573 -25.221 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.505 17.076 -24.096 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.109 16.008 -25.239 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.132 15.076 -24.121 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.840 15.464 -25.773 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.369 16.022 -26.913 1.00 0.00 H new ATOM 799 N GLN A 71 0.432 18.093 -21.978 1.00 0.00 N ATOM 800 CA GLN A 71 0.888 18.466 -20.630 1.00 0.00 C ATOM 801 C GLN A 71 1.259 17.277 -19.717 1.00 0.00 C ATOM 802 O GLN A 71 2.078 17.425 -18.811 1.00 0.00 O ATOM 803 CB GLN A 71 -0.231 19.287 -19.981 1.00 0.00 C ATOM 804 CG GLN A 71 -0.183 20.782 -20.332 1.00 0.00 C ATOM 805 CD GLN A 71 -0.603 21.125 -21.761 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.735 21.507 -22.027 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.270 21.024 -22.740 1.00 0.00 N ATOM 0 H GLN A 71 -0.508 18.426 -22.192 1.00 0.00 H new ATOM 0 HA GLN A 71 1.814 19.030 -20.744 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.194 18.881 -20.291 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.171 19.175 -18.898 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.829 21.323 -19.640 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.832 21.145 -20.171 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.220 20.708 -22.545 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.003 21.262 -23.694 1.00 0.00 H new ATOM 816 N HIS A 72 0.679 16.096 -19.949 1.00 0.00 N ATOM 817 CA HIS A 72 1.004 14.837 -19.264 1.00 0.00 C ATOM 818 C HIS A 72 2.309 14.178 -19.754 1.00 0.00 C ATOM 819 O HIS A 72 2.889 13.366 -19.035 1.00 0.00 O ATOM 820 CB HIS A 72 -0.179 13.872 -19.446 1.00 0.00 C ATOM 821 CG HIS A 72 -0.675 13.820 -20.867 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.560 14.736 -21.437 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.168 13.023 -21.846 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.569 14.474 -22.751 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.754 13.438 -23.026 1.00 0.00 N ATOM 0 H HIS A 72 -0.058 15.984 -20.645 1.00 0.00 H new ATOM 0 HA HIS A 72 1.172 15.068 -18.212 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.122 12.872 -19.134 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.995 14.178 -18.792 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.550 12.225 -21.725 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.147 15.016 -23.485 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.596 13.030 -23.947 1.00 0.00 H new ATOM 833 N MET A 73 2.779 14.519 -20.957 1.00 0.00 N ATOM 834 CA MET A 73 4.086 14.125 -21.492 1.00 0.00 C ATOM 835 C MET A 73 5.163 15.071 -20.947 1.00 0.00 C ATOM 836 O MET A 73 5.114 16.288 -21.137 1.00 0.00 O ATOM 837 CB MET A 73 4.042 14.089 -23.031 1.00 0.00 C ATOM 838 CG MET A 73 5.416 14.110 -23.714 1.00 0.00 C ATOM 839 SD MET A 73 6.633 12.873 -23.187 1.00 0.00 S ATOM 840 CE MET A 73 5.834 11.356 -23.754 1.00 0.00 C ATOM 0 H MET A 73 2.244 15.095 -21.606 1.00 0.00 H new ATOM 0 HA MET A 73 4.341 13.117 -21.166 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.510 13.191 -23.344 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.463 14.942 -23.384 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.260 13.993 -24.786 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.852 15.097 -23.561 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.460 10.500 -23.504 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.865 11.251 -23.267 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.694 11.400 -24.834 1.00 0.00 H new ATOM 850 N VAL A 74 6.147 14.493 -20.264 1.00 0.00 N ATOM 851 CA VAL A 74 7.220 15.191 -19.555 1.00 0.00 C ATOM 852 C VAL A 74 8.504 15.110 -20.399 1.00 0.00 C ATOM 853 O VAL A 74 8.916 14.024 -20.805 1.00 0.00 O ATOM 854 CB VAL A 74 7.431 14.548 -18.169 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.476 15.327 -17.372 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.138 14.510 -17.339 1.00 0.00 C ATOM 0 H VAL A 74 6.223 13.479 -20.185 1.00 0.00 H new ATOM 0 HA VAL A 74 6.957 16.238 -19.406 1.00 0.00 H new ATOM 0 HB VAL A 74 7.764 13.527 -18.354 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.612 14.860 -16.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.423 15.323 -17.912 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.139 16.355 -17.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.340 14.048 -16.372 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.773 15.526 -17.187 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.383 13.929 -17.868 1.00 0.00 H new ATOM 866 N TYR A 75 9.153 16.251 -20.630 1.00 0.00 N ATOM 867 CA TYR A 75 10.418 16.424 -21.348 1.00 0.00 C ATOM 868 C TYR A 75 11.484 17.069 -20.436 1.00 0.00 C ATOM 869 O TYR A 75 11.592 18.293 -20.341 1.00 0.00 O ATOM 870 CB TYR A 75 10.173 17.236 -22.629 1.00 0.00 C ATOM 871 CG TYR A 75 9.707 16.372 -23.782 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.608 15.445 -24.338 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.394 16.464 -24.282 1.00 0.00 C ATOM 874 CE1 TYR A 75 10.201 14.602 -25.385 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.993 15.643 -25.353 1.00 0.00 C ATOM 876 CZ TYR A 75 8.890 14.702 -25.904 1.00 0.00 C ATOM 877 OH TYR A 75 8.485 13.901 -26.929 1.00 0.00 O ATOM 0 H TYR A 75 8.784 17.142 -20.298 1.00 0.00 H new ATOM 0 HA TYR A 75 10.810 15.449 -21.639 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.427 18.005 -22.431 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.092 17.749 -22.912 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.617 15.382 -23.958 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.696 17.163 -23.845 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.890 13.877 -25.794 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.995 15.733 -25.755 1.00 0.00 H new ATOM 0 HH TYR A 75 7.554 14.106 -27.156 1.00 0.00 H new ATOM 887 N CYS A 76 12.288 16.230 -19.776 1.00 0.00 N ATOM 888 CA CYS A 76 13.377 16.587 -18.856 1.00 0.00 C ATOM 889 C CYS A 76 14.777 16.657 -19.498 1.00 0.00 C ATOM 890 O CYS A 76 15.773 16.682 -18.774 1.00 0.00 O ATOM 891 CB CYS A 76 13.371 15.618 -17.661 1.00 0.00 C ATOM 892 SG CYS A 76 11.841 15.747 -16.699 1.00 0.00 S ATOM 0 H CYS A 76 12.191 15.219 -19.875 1.00 0.00 H new ATOM 0 HA CYS A 76 13.176 17.607 -18.528 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.489 14.596 -18.021 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.224 15.830 -17.017 1.00 0.00 H new ATOM 0 HG CYS A 76 11.681 14.668 -15.992 1.00 0.00 H new ATOM 898 N GLY A 77 14.891 16.661 -20.831 1.00 0.00 N ATOM 899 CA GLY A 77 16.188 16.684 -21.524 1.00 0.00 C ATOM 900 C GLY A 77 17.078 17.859 -21.086 1.00 0.00 C ATOM 901 O GLY A 77 16.683 19.023 -21.194 1.00 0.00 O ATOM 0 H GLY A 77 14.089 16.648 -21.461 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.712 15.747 -21.335 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.019 16.743 -22.599 1.00 0.00 H new ATOM 905 N GLY A 78 18.272 17.547 -20.569 1.00 0.00 N ATOM 906 CA GLY A 78 19.242 18.519 -20.039 1.00 0.00 C ATOM 907 C GLY A 78 19.016 18.974 -18.584 1.00 0.00 C ATOM 908 O GLY A 78 19.806 19.772 -18.076 1.00 0.00 O ATOM 0 H GLY A 78 18.602 16.584 -20.505 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.239 18.084 -20.112 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.231 19.400 -20.680 1.00 0.00 H new ATOM 912 N ASP A 79 17.979 18.482 -17.895 1.00 0.00 N ATOM 913 CA ASP A 79 17.704 18.778 -16.477 1.00 0.00 C ATOM 914 C ASP A 79 18.331 17.742 -15.521 1.00 0.00 C ATOM 915 O ASP A 79 18.593 16.606 -15.921 1.00 0.00 O ATOM 916 CB ASP A 79 16.187 18.864 -16.260 1.00 0.00 C ATOM 917 CG ASP A 79 15.867 19.528 -14.923 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.912 20.776 -14.825 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.624 18.784 -13.949 1.00 0.00 O ATOM 0 H ASP A 79 17.292 17.854 -18.313 1.00 0.00 H new ATOM 0 HA ASP A 79 18.168 19.736 -16.241 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.731 19.431 -17.071 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.754 17.864 -16.287 1.00 0.00 H new ATOM 924 N LEU A 80 18.505 18.091 -14.237 1.00 0.00 N ATOM 925 CA LEU A 80 18.909 17.149 -13.182 1.00 0.00 C ATOM 926 C LEU A 80 17.941 15.962 -13.097 1.00 0.00 C ATOM 927 O LEU A 80 18.374 14.810 -13.066 1.00 0.00 O ATOM 928 CB LEU A 80 18.946 17.874 -11.823 1.00 0.00 C ATOM 929 CG LEU A 80 20.142 17.477 -10.938 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.125 18.345 -9.679 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.135 16.016 -10.487 1.00 0.00 C ATOM 0 H LEU A 80 18.368 19.044 -13.899 1.00 0.00 H new ATOM 0 HA LEU A 80 19.900 16.770 -13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.976 18.950 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.022 17.664 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 80 21.033 17.623 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.967 18.076 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.203 19.395 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.193 18.183 -9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.011 15.822 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.232 15.818 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.156 15.365 -11.361 1.00 0.00 H new ATOM 943 N LEU A 81 16.628 16.235 -13.118 1.00 0.00 N ATOM 944 CA LEU A 81 15.617 15.181 -13.166 1.00 0.00 C ATOM 945 C LEU A 81 15.814 14.227 -14.364 1.00 0.00 C ATOM 946 O LEU A 81 15.743 13.010 -14.197 1.00 0.00 O ATOM 947 CB LEU A 81 14.221 15.837 -13.120 1.00 0.00 C ATOM 948 CG LEU A 81 13.025 14.866 -13.198 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.092 13.723 -12.183 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.730 15.639 -12.946 1.00 0.00 C ATOM 0 H LEU A 81 16.246 17.181 -13.102 1.00 0.00 H new ATOM 0 HA LEU A 81 15.721 14.535 -12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.140 16.412 -12.197 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.145 16.546 -13.945 1.00 0.00 H new ATOM 0 HG LEU A 81 13.057 14.426 -14.195 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.218 13.082 -12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.996 13.138 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.110 14.134 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.882 14.956 -13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.765 16.096 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.618 16.417 -13.701 1.00 0.00 H new ATOM 962 N GLY A 82 16.146 14.752 -15.548 1.00 0.00 N ATOM 963 CA GLY A 82 16.454 13.943 -16.737 1.00 0.00 C ATOM 964 C GLY A 82 17.744 13.127 -16.598 1.00 0.00 C ATOM 965 O GLY A 82 17.775 11.945 -16.944 1.00 0.00 O ATOM 0 H GLY A 82 16.210 15.757 -15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.623 13.265 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.539 14.600 -17.603 1.00 0.00 H new ATOM 969 N GLU A 83 18.794 13.717 -16.020 1.00 0.00 N ATOM 970 CA GLU A 83 20.075 13.045 -15.771 1.00 0.00 C ATOM 971 C GLU A 83 19.914 11.869 -14.791 1.00 0.00 C ATOM 972 O GLU A 83 20.509 10.807 -14.993 1.00 0.00 O ATOM 973 CB GLU A 83 21.143 14.080 -15.351 1.00 0.00 C ATOM 974 CG GLU A 83 21.767 13.916 -13.960 1.00 0.00 C ATOM 975 CD GLU A 83 22.914 14.926 -13.754 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.649 16.110 -13.433 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.099 14.541 -13.914 1.00 0.00 O ATOM 0 H GLU A 83 18.779 14.688 -15.707 1.00 0.00 H new ATOM 0 HA GLU A 83 20.433 12.590 -16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.946 14.054 -16.087 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.693 15.071 -15.405 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.005 14.063 -13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.145 12.900 -13.843 1.00 0.00 H new ATOM 984 N LEU A 84 19.058 12.027 -13.775 1.00 0.00 N ATOM 985 CA LEU A 84 18.745 10.981 -12.805 1.00 0.00 C ATOM 986 C LEU A 84 17.807 9.892 -13.357 1.00 0.00 C ATOM 987 O LEU A 84 17.984 8.711 -13.052 1.00 0.00 O ATOM 988 CB LEU A 84 18.178 11.659 -11.553 1.00 0.00 C ATOM 989 CG LEU A 84 17.950 10.688 -10.388 1.00 0.00 C ATOM 990 CD1 LEU A 84 19.236 10.005 -9.913 1.00 0.00 C ATOM 991 CD2 LEU A 84 17.396 11.481 -9.223 1.00 0.00 C ATOM 0 H LEU A 84 18.558 12.899 -13.604 1.00 0.00 H new ATOM 0 HA LEU A 84 19.660 10.441 -12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.862 12.445 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.233 12.141 -11.805 1.00 0.00 H new ATOM 0 HG LEU A 84 17.270 9.911 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.007 9.331 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.671 9.437 -10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.947 10.760 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.224 10.814 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.110 12.253 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.455 11.947 -9.515 1.00 0.00 H new ATOM 1003 N LEU A 85 16.842 10.271 -14.201 1.00 0.00 N ATOM 1004 CA LEU A 85 16.016 9.329 -14.972 1.00 0.00 C ATOM 1005 C LEU A 85 16.862 8.535 -15.991 1.00 0.00 C ATOM 1006 O LEU A 85 16.524 7.395 -16.312 1.00 0.00 O ATOM 1007 CB LEU A 85 14.884 10.112 -15.676 1.00 0.00 C ATOM 1008 CG LEU A 85 13.691 10.419 -14.758 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.855 11.544 -15.358 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.776 9.203 -14.582 1.00 0.00 C ATOM 0 H LEU A 85 16.608 11.249 -14.372 1.00 0.00 H new ATOM 0 HA LEU A 85 15.581 8.599 -14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.286 11.049 -16.062 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.534 9.538 -16.534 1.00 0.00 H new ATOM 0 HG LEU A 85 14.100 10.702 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.010 11.758 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.469 12.438 -15.462 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.487 11.241 -16.338 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.946 9.464 -13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.388 8.896 -15.553 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.342 8.382 -14.142 1.00 0.00 H new ATOM 1022 N GLY A 86 17.953 9.126 -16.500 1.00 0.00 N ATOM 1023 CA GLY A 86 18.798 8.559 -17.563 1.00 0.00 C ATOM 1024 C GLY A 86 18.172 8.669 -18.963 1.00 0.00 C ATOM 1025 O GLY A 86 18.588 7.976 -19.895 1.00 0.00 O ATOM 0 H GLY A 86 18.281 10.036 -16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.761 9.069 -17.562 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.993 7.510 -17.341 1.00 0.00 H new ATOM 1029 N ARG A 87 17.134 9.508 -19.087 1.00 0.00 N ATOM 1030 CA ARG A 87 16.246 9.686 -20.247 1.00 0.00 C ATOM 1031 C ARG A 87 15.603 11.069 -20.204 1.00 0.00 C ATOM 1032 O ARG A 87 15.308 11.609 -19.139 1.00 0.00 O ATOM 1033 CB ARG A 87 15.198 8.552 -20.304 1.00 0.00 C ATOM 1034 CG ARG A 87 14.339 8.483 -19.035 1.00 0.00 C ATOM 1035 CD ARG A 87 13.429 7.265 -18.937 1.00 0.00 C ATOM 1036 NE ARG A 87 12.422 7.260 -20.013 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.053 6.272 -20.806 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.539 5.068 -20.713 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.163 6.509 -21.723 1.00 0.00 N ATOM 0 H ARG A 87 16.872 10.128 -18.320 1.00 0.00 H new ATOM 0 HA ARG A 87 16.830 9.625 -21.165 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.552 8.702 -21.169 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.706 7.598 -20.447 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.998 8.495 -18.167 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.725 9.382 -18.981 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.028 6.356 -18.992 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.929 7.259 -17.968 1.00 0.00 H new ATOM 0 HE ARG A 87 11.942 8.147 -20.167 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.239 4.854 -20.002 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.220 4.339 -21.351 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.765 7.443 -21.818 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.862 5.761 -22.348 1.00 0.00 H new ATOM 1053 N GLN A 88 15.354 11.611 -21.387 1.00 0.00 N ATOM 1054 CA GLN A 88 14.736 12.925 -21.586 1.00 0.00 C ATOM 1055 C GLN A 88 13.220 12.921 -21.416 1.00 0.00 C ATOM 1056 O GLN A 88 12.646 13.994 -21.287 1.00 0.00 O ATOM 1057 CB GLN A 88 15.127 13.457 -22.973 1.00 0.00 C ATOM 1058 CG GLN A 88 14.548 12.678 -24.169 1.00 0.00 C ATOM 1059 CD GLN A 88 15.081 13.210 -25.500 1.00 0.00 C ATOM 1060 OE1 GLN A 88 15.989 12.653 -26.105 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.558 14.309 -26.006 1.00 0.00 N ATOM 0 H GLN A 88 15.581 11.140 -22.263 1.00 0.00 H new ATOM 0 HA GLN A 88 15.114 13.584 -20.805 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.806 14.496 -23.048 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.214 13.453 -23.051 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.800 11.622 -24.072 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.460 12.749 -24.158 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.801 14.786 -25.516 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.910 14.682 -26.888 1.00 0.00 H new ATOM 1070 N SER A 89 12.559 11.762 -21.454 1.00 0.00 N ATOM 1071 CA SER A 89 11.079 11.737 -21.460 1.00 0.00 C ATOM 1072 C SER A 89 10.374 10.497 -20.906 1.00 0.00 C ATOM 1073 O SER A 89 10.877 9.375 -20.961 1.00 0.00 O ATOM 1074 CB SER A 89 10.553 12.019 -22.876 1.00 0.00 C ATOM 1075 OG SER A 89 11.016 11.038 -23.796 1.00 0.00 O ATOM 0 H SER A 89 13.004 10.844 -21.481 1.00 0.00 H new ATOM 0 HA SER A 89 10.826 12.521 -20.746 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.463 12.029 -22.868 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.879 13.008 -23.199 1.00 0.00 H new ATOM 0 HG SER A 89 10.667 11.237 -24.690 1.00 0.00 H new ATOM 1081 N PHE A 90 9.176 10.735 -20.368 1.00 0.00 N ATOM 1082 CA PHE A 90 8.196 9.781 -19.825 1.00 0.00 C ATOM 1083 C PHE A 90 6.818 10.486 -19.748 1.00 0.00 C ATOM 1084 O PHE A 90 6.703 11.666 -20.081 1.00 0.00 O ATOM 1085 CB PHE A 90 8.657 9.282 -18.442 1.00 0.00 C ATOM 1086 CG PHE A 90 8.690 10.346 -17.363 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.757 11.261 -17.311 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.640 10.442 -16.430 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.766 12.280 -16.347 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.660 11.451 -15.453 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.724 12.370 -15.406 1.00 0.00 C ATOM 0 H PHE A 90 8.831 11.692 -20.293 1.00 0.00 H new ATOM 0 HA PHE A 90 8.111 8.908 -20.472 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.994 8.479 -18.121 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.654 8.852 -18.540 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.572 11.179 -18.015 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.820 9.740 -16.465 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.574 12.996 -16.327 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.856 11.521 -14.736 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.741 13.142 -14.651 1.00 0.00 H new ATOM 1101 N SER A 91 5.762 9.802 -19.302 1.00 0.00 N ATOM 1102 CA SER A 91 4.413 10.384 -19.159 1.00 0.00 C ATOM 1103 C SER A 91 3.767 9.994 -17.832 1.00 0.00 C ATOM 1104 O SER A 91 4.052 8.920 -17.310 1.00 0.00 O ATOM 1105 CB SER A 91 3.546 9.926 -20.337 1.00 0.00 C ATOM 1106 OG SER A 91 2.193 10.321 -20.170 1.00 0.00 O ATOM 0 H SER A 91 5.813 8.821 -19.026 1.00 0.00 H new ATOM 0 HA SER A 91 4.499 11.471 -19.163 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.937 10.346 -21.263 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.601 8.841 -20.431 1.00 0.00 H new ATOM 0 HG SER A 91 2.160 11.231 -19.808 1.00 0.00 H new ATOM 1112 N VAL A 92 2.825 10.788 -17.306 1.00 0.00 N ATOM 1113 CA VAL A 92 1.997 10.389 -16.158 1.00 0.00 C ATOM 1114 C VAL A 92 1.151 9.134 -16.464 1.00 0.00 C ATOM 1115 O VAL A 92 0.726 8.429 -15.547 1.00 0.00 O ATOM 1116 CB VAL A 92 1.120 11.563 -15.664 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.809 12.929 -15.763 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.245 11.661 -16.352 1.00 0.00 C ATOM 0 H VAL A 92 2.615 11.721 -17.662 1.00 0.00 H new ATOM 0 HA VAL A 92 2.675 10.121 -15.348 1.00 0.00 H new ATOM 0 HB VAL A 92 0.962 11.316 -14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.134 13.704 -15.399 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.716 12.924 -15.158 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.068 13.132 -16.802 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.796 12.510 -15.948 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.103 11.798 -17.424 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.809 10.745 -16.174 1.00 0.00 H new ATOM 1128 N LYS A 93 0.937 8.842 -17.760 1.00 0.00 N ATOM 1129 CA LYS A 93 0.226 7.665 -18.298 1.00 0.00 C ATOM 1130 C LYS A 93 1.151 6.457 -18.551 1.00 0.00 C ATOM 1131 O LYS A 93 0.666 5.347 -18.772 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.515 8.075 -19.589 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.510 9.232 -19.377 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.115 9.727 -20.698 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.037 10.925 -20.426 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.529 11.547 -21.687 1.00 0.00 N ATOM 0 H LYS A 93 1.274 9.455 -18.503 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.487 7.333 -17.544 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.216 8.367 -20.343 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.051 7.211 -19.982 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.310 8.904 -18.714 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.003 10.059 -18.880 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.322 10.015 -21.388 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.677 8.924 -21.176 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.887 10.600 -19.826 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.500 11.670 -19.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.148 12.351 -21.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.720 11.881 -22.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.064 10.844 -22.235 1.00 0.00 H new ATOM 1150 N ASP A 94 2.470 6.664 -18.500 1.00 0.00 N ATOM 1151 CA ASP A 94 3.522 5.637 -18.591 1.00 0.00 C ATOM 1152 C ASP A 94 4.728 6.036 -17.697 1.00 0.00 C ATOM 1153 O ASP A 94 5.798 6.392 -18.207 1.00 0.00 O ATOM 1154 CB ASP A 94 3.902 5.449 -20.072 1.00 0.00 C ATOM 1155 CG ASP A 94 4.944 4.336 -20.288 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.887 3.296 -19.586 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.797 4.472 -21.199 1.00 0.00 O ATOM 0 H ASP A 94 2.857 7.601 -18.388 1.00 0.00 H new ATOM 0 HA ASP A 94 3.166 4.677 -18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.005 5.215 -20.645 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.295 6.388 -20.463 1.00 0.00 H new ATOM 1162 N PRO A 95 4.557 6.038 -16.356 1.00 0.00 N ATOM 1163 CA PRO A 95 5.516 6.622 -15.411 1.00 0.00 C ATOM 1164 C PRO A 95 6.616 5.679 -14.905 1.00 0.00 C ATOM 1165 O PRO A 95 7.442 6.093 -14.092 1.00 0.00 O ATOM 1166 CB PRO A 95 4.634 7.105 -14.265 1.00 0.00 C ATOM 1167 CG PRO A 95 3.582 6.001 -14.173 1.00 0.00 C ATOM 1168 CD PRO A 95 3.337 5.668 -15.642 1.00 0.00 C ATOM 0 HA PRO A 95 6.095 7.404 -15.903 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.195 7.210 -13.337 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.187 8.076 -14.478 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.945 5.138 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.674 6.344 -13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.119 4.608 -15.769 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.479 6.219 -16.027 1.00 0.00 H new ATOM 1176 N SER A 96 6.642 4.424 -15.362 1.00 0.00 N ATOM 1177 CA SER A 96 7.530 3.349 -14.886 1.00 0.00 C ATOM 1178 C SER A 96 8.987 3.747 -14.570 1.00 0.00 C ATOM 1179 O SER A 96 9.460 3.351 -13.499 1.00 0.00 O ATOM 1180 CB SER A 96 7.525 2.192 -15.893 1.00 0.00 C ATOM 1181 OG SER A 96 6.195 1.729 -16.096 1.00 0.00 O ATOM 0 H SER A 96 6.019 4.111 -16.107 1.00 0.00 H new ATOM 0 HA SER A 96 7.110 3.059 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.953 2.521 -16.840 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.150 1.378 -15.527 1.00 0.00 H new ATOM 0 HG SER A 96 6.200 0.992 -16.741 1.00 0.00 H new ATOM 1187 N PRO A 97 9.717 4.541 -15.391 1.00 0.00 N ATOM 1188 CA PRO A 97 11.110 4.874 -15.079 1.00 0.00 C ATOM 1189 C PRO A 97 11.298 5.753 -13.830 1.00 0.00 C ATOM 1190 O PRO A 97 12.374 5.705 -13.238 1.00 0.00 O ATOM 1191 CB PRO A 97 11.671 5.547 -16.333 1.00 0.00 C ATOM 1192 CG PRO A 97 10.434 6.137 -17.003 1.00 0.00 C ATOM 1193 CD PRO A 97 9.372 5.084 -16.708 1.00 0.00 C ATOM 0 HA PRO A 97 11.647 3.961 -14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.399 6.319 -16.083 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.176 4.831 -16.981 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.170 7.109 -16.586 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.580 6.279 -18.074 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.374 5.523 -16.703 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.372 4.302 -17.468 1.00 0.00 H new ATOM 1201 N LEU A 98 10.288 6.512 -13.375 1.00 0.00 N ATOM 1202 CA LEU A 98 10.382 7.266 -12.119 1.00 0.00 C ATOM 1203 C LEU A 98 10.427 6.296 -10.923 1.00 0.00 C ATOM 1204 O LEU A 98 11.327 6.339 -10.080 1.00 0.00 O ATOM 1205 CB LEU A 98 9.273 8.349 -12.076 1.00 0.00 C ATOM 1206 CG LEU A 98 7.904 8.035 -11.434 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.912 8.111 -9.902 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.871 9.060 -11.901 1.00 0.00 C ATOM 0 H LEU A 98 9.397 6.618 -13.860 1.00 0.00 H new ATOM 0 HA LEU A 98 11.318 7.821 -12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.685 9.212 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.084 8.659 -13.104 1.00 0.00 H new ATOM 0 HG LEU A 98 7.666 7.016 -11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.918 7.879 -9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.629 7.392 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.195 9.116 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.906 8.837 -11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.189 10.059 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.780 9.016 -12.986 1.00 0.00 H new ATOM 1220 N TYR A 99 9.505 5.332 -10.901 1.00 0.00 N ATOM 1221 CA TYR A 99 9.460 4.324 -9.851 1.00 0.00 C ATOM 1222 C TYR A 99 10.744 3.494 -9.875 1.00 0.00 C ATOM 1223 O TYR A 99 11.393 3.353 -8.843 1.00 0.00 O ATOM 1224 CB TYR A 99 8.186 3.485 -10.004 1.00 0.00 C ATOM 1225 CG TYR A 99 6.914 4.272 -9.729 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.426 4.380 -8.411 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.238 4.925 -10.779 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.254 5.116 -8.146 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.089 5.691 -10.512 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.576 5.768 -9.200 1.00 0.00 C ATOM 1231 OH TYR A 99 3.429 6.463 -8.961 1.00 0.00 O ATOM 0 H TYR A 99 8.775 5.232 -11.607 1.00 0.00 H new ATOM 0 HA TYR A 99 9.413 4.792 -8.868 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.144 3.081 -11.015 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.234 2.635 -9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.952 3.897 -7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.603 4.837 -11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.874 5.182 -7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.598 6.222 -11.314 1.00 0.00 H new ATOM 0 HH TYR A 99 3.099 6.848 -9.800 1.00 0.00 H new ATOM 1241 N ASP A 100 11.202 3.076 -11.057 1.00 0.00 N ATOM 1242 CA ASP A 100 12.465 2.351 -11.228 1.00 0.00 C ATOM 1243 C ASP A 100 13.698 3.126 -10.748 1.00 0.00 C ATOM 1244 O ASP A 100 14.584 2.548 -10.121 1.00 0.00 O ATOM 1245 CB ASP A 100 12.639 1.992 -12.697 1.00 0.00 C ATOM 1246 CG ASP A 100 13.611 0.816 -12.876 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.369 -0.259 -12.273 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.616 0.960 -13.612 1.00 0.00 O ATOM 0 H ASP A 100 10.702 3.233 -11.932 1.00 0.00 H new ATOM 0 HA ASP A 100 12.398 1.460 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.671 1.735 -13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.010 2.859 -13.243 1.00 0.00 H new ATOM 1253 N MET A 101 13.734 4.442 -10.979 1.00 0.00 N ATOM 1254 CA MET A 101 14.790 5.311 -10.441 1.00 0.00 C ATOM 1255 C MET A 101 14.678 5.523 -8.927 1.00 0.00 C ATOM 1256 O MET A 101 15.705 5.703 -8.282 1.00 0.00 O ATOM 1257 CB MET A 101 15.096 6.563 -11.284 1.00 0.00 C ATOM 1258 CG MET A 101 14.133 7.734 -11.143 1.00 0.00 C ATOM 1259 SD MET A 101 14.194 8.669 -9.592 1.00 0.00 S ATOM 1260 CE MET A 101 12.614 9.554 -9.695 1.00 0.00 C ATOM 0 H MET A 101 13.038 4.934 -11.540 1.00 0.00 H new ATOM 0 HA MET A 101 15.716 4.749 -10.557 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.096 6.912 -11.025 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.123 6.269 -12.333 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.320 8.427 -11.963 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.119 7.355 -11.270 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.538 10.260 -8.868 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.561 10.095 -10.640 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.793 8.840 -9.639 1.00 0.00 H new ATOM 1270 N LEU A 102 13.482 5.469 -8.326 1.00 0.00 N ATOM 1271 CA LEU A 102 13.318 5.491 -6.880 1.00 0.00 C ATOM 1272 C LEU A 102 13.861 4.189 -6.300 1.00 0.00 C ATOM 1273 O LEU A 102 14.664 4.281 -5.384 1.00 0.00 O ATOM 1274 CB LEU A 102 11.845 5.735 -6.485 1.00 0.00 C ATOM 1275 CG LEU A 102 11.329 7.141 -6.837 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.806 7.214 -6.712 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.889 8.204 -5.894 1.00 0.00 C ATOM 0 H LEU A 102 12.602 5.409 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 102 13.885 6.322 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.219 4.994 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.736 5.577 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 102 11.653 7.329 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.468 8.218 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.350 6.495 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.513 6.981 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.500 9.182 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.590 7.977 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.977 8.213 -5.961 1.00 0.00 H new ATOM 1289 N ARG A 103 13.557 3.009 -6.875 1.00 0.00 N ATOM 1290 CA ARG A 103 13.877 1.695 -6.294 1.00 0.00 C ATOM 1291 C ARG A 103 15.310 1.560 -5.762 1.00 0.00 C ATOM 1292 O ARG A 103 15.530 1.075 -4.652 1.00 0.00 O ATOM 1293 CB ARG A 103 13.656 0.615 -7.363 1.00 0.00 C ATOM 1294 CG ARG A 103 12.192 0.372 -7.740 1.00 0.00 C ATOM 1295 CD ARG A 103 11.961 -0.995 -8.379 1.00 0.00 C ATOM 1296 NE ARG A 103 12.862 -1.263 -9.524 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.838 -2.148 -9.607 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.162 -2.951 -8.631 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.514 -2.226 -10.712 1.00 0.00 N ATOM 0 H ARG A 103 13.074 2.944 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 103 13.216 1.578 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.206 0.896 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.085 -0.322 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.573 0.459 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.866 1.150 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.101 -1.770 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.926 -1.062 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 103 12.709 -0.691 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.651 -2.914 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.926 -3.616 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.287 -1.611 -11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.273 -2.902 -10.799 1.00 0.00 H new ATOM 1313 N LYS A 104 16.272 2.010 -6.576 1.00 0.00 N ATOM 1314 CA LYS A 104 17.715 2.034 -6.302 1.00 0.00 C ATOM 1315 C LYS A 104 18.253 3.354 -5.732 1.00 0.00 C ATOM 1316 O LYS A 104 19.377 3.371 -5.234 1.00 0.00 O ATOM 1317 CB LYS A 104 18.510 1.539 -7.531 1.00 0.00 C ATOM 1318 CG LYS A 104 17.934 1.811 -8.930 1.00 0.00 C ATOM 1319 CD LYS A 104 17.563 3.265 -9.249 1.00 0.00 C ATOM 1320 CE LYS A 104 18.592 4.390 -9.064 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.812 4.193 -9.904 1.00 0.00 N ATOM 0 H LYS A 104 16.052 2.389 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 104 17.872 1.332 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.503 1.987 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.642 0.462 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.661 1.475 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.043 1.196 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.238 3.294 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.697 3.518 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.131 5.345 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.882 4.444 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.475 4.978 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.270 3.295 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.542 4.168 -10.908 1.00 0.00 H new ATOM 1335 N ASN A 105 17.491 4.454 -5.782 1.00 0.00 N ATOM 1336 CA ASN A 105 17.873 5.691 -5.098 1.00 0.00 C ATOM 1337 C ASN A 105 17.518 5.616 -3.606 1.00 0.00 C ATOM 1338 O ASN A 105 18.348 5.927 -2.751 1.00 0.00 O ATOM 1339 CB ASN A 105 17.221 6.880 -5.791 1.00 0.00 C ATOM 1340 CG ASN A 105 18.025 8.093 -5.428 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.793 8.755 -4.434 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.069 8.332 -6.183 1.00 0.00 N ATOM 0 H ASN A 105 16.608 4.510 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 105 18.953 5.824 -5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.206 6.736 -6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.185 6.993 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.710 9.088 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.241 7.762 -7.011 1.00 0.00 H new ATOM 1349 N LEU A 106 16.296 5.153 -3.312 1.00 0.00 N ATOM 1350 CA LEU A 106 15.836 4.840 -1.955 1.00 0.00 C ATOM 1351 C LEU A 106 14.828 3.678 -1.840 1.00 0.00 C ATOM 1352 O LEU A 106 13.930 3.521 -2.664 1.00 0.00 O ATOM 1353 CB LEU A 106 15.306 6.121 -1.294 1.00 0.00 C ATOM 1354 CG LEU A 106 13.980 6.733 -1.794 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.454 7.689 -0.723 1.00 0.00 C ATOM 1356 CD2 LEU A 106 14.148 7.529 -3.089 1.00 0.00 C ATOM 0 H LEU A 106 15.587 4.983 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 106 16.708 4.465 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.193 5.918 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.078 6.885 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 106 13.293 5.909 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.516 8.132 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.285 7.140 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.186 8.478 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.184 7.936 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.851 8.346 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.529 6.873 -3.872 1.00 0.00 H new ATOM 1368 N VAL A 107 14.925 2.912 -0.742 1.00 0.00 N ATOM 1369 CA VAL A 107 14.022 1.769 -0.452 1.00 0.00 C ATOM 1370 C VAL A 107 12.646 2.208 0.066 1.00 0.00 C ATOM 1371 O VAL A 107 11.645 1.531 -0.137 1.00 0.00 O ATOM 1372 CB VAL A 107 14.709 0.749 0.487 1.00 0.00 C ATOM 1373 CG1 VAL A 107 13.849 -0.491 0.769 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.030 0.246 -0.116 1.00 0.00 C ATOM 0 H VAL A 107 15.632 3.062 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 107 13.826 1.268 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 107 14.874 1.292 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 107 14.389 -1.165 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.915 -0.186 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 107 13.631 -1.003 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.492 -0.469 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.832 -0.238 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.704 1.089 -0.269 1.00 0.00 H new ATOM 1384 N THR A 108 12.591 3.401 0.653 1.00 0.00 N ATOM 1385 CA THR A 108 11.378 4.106 1.126 1.00 0.00 C ATOM 1386 C THR A 108 10.431 3.197 1.942 1.00 0.00 C ATOM 1387 O THR A 108 10.884 2.340 2.706 1.00 0.00 O ATOM 1388 CB THR A 108 10.764 4.924 -0.035 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.722 5.747 0.433 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.212 4.141 -1.222 1.00 0.00 C ATOM 0 H THR A 108 13.437 3.943 0.827 1.00 0.00 H new ATOM 0 HA THR A 108 11.642 4.849 1.878 1.00 0.00 H new ATOM 0 HB THR A 108 11.624 5.482 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.860 6.663 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.813 4.835 -1.962 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.011 3.551 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.418 3.477 -0.882 1.00 0.00 H new ATOM 1398 N LEU A 109 9.120 3.397 1.823 1.00 0.00 N ATOM 1399 CA LEU A 109 8.053 2.620 2.473 1.00 0.00 C ATOM 1400 C LEU A 109 7.946 1.154 1.979 1.00 0.00 C ATOM 1401 O LEU A 109 7.185 0.363 2.540 1.00 0.00 O ATOM 1402 CB LEU A 109 6.744 3.397 2.269 1.00 0.00 C ATOM 1403 CG LEU A 109 5.554 2.937 3.137 1.00 0.00 C ATOM 1404 CD1 LEU A 109 5.871 2.826 4.632 1.00 0.00 C ATOM 1405 CD2 LEU A 109 4.454 3.978 2.990 1.00 0.00 C ATOM 0 H LEU A 109 8.747 4.146 1.239 1.00 0.00 H new ATOM 0 HA LEU A 109 8.286 2.515 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.933 4.451 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.457 3.321 1.220 1.00 0.00 H new ATOM 0 HG LEU A 109 5.275 1.942 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.981 2.497 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.673 2.103 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.185 3.799 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.593 3.685 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.822 4.946 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.158 4.049 1.943 1.00 0.00 H new ATOM 1417 N ALA A 110 8.681 0.782 0.925 1.00 0.00 N ATOM 1418 CA ALA A 110 8.596 -0.525 0.274 1.00 0.00 C ATOM 1419 C ALA A 110 9.067 -1.681 1.184 1.00 0.00 C ATOM 1420 O ALA A 110 10.015 -1.537 1.964 1.00 0.00 O ATOM 1421 CB ALA A 110 9.396 -0.477 -1.035 1.00 0.00 C ATOM 0 H ALA A 110 9.368 1.399 0.492 1.00 0.00 H new ATOM 0 HA ALA A 110 7.548 -0.734 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.341 -1.446 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.979 0.289 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.437 -0.240 -0.817 1.00 0.00 H new ATOM 1427 N THR A 111 8.408 -2.840 1.073 1.00 0.00 N ATOM 1428 CA THR A 111 8.650 -4.027 1.913 1.00 0.00 C ATOM 1429 C THR A 111 8.417 -5.356 1.185 1.00 0.00 C ATOM 1430 O THR A 111 7.741 -5.414 0.146 1.00 0.00 O ATOM 1431 CB THR A 111 7.789 -3.937 3.180 1.00 0.00 C ATOM 1432 OG1 THR A 111 8.200 -4.929 4.100 1.00 0.00 O ATOM 1433 CG2 THR A 111 6.282 -4.090 2.948 1.00 0.00 C ATOM 0 H THR A 111 7.673 -2.986 0.381 1.00 0.00 H new ATOM 0 HA THR A 111 9.708 -4.023 2.177 1.00 0.00 H new ATOM 0 HB THR A 111 7.943 -2.928 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.652 -4.871 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 111 5.758 -4.012 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.935 -3.304 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.080 -5.063 2.501 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.534 13.802 -12.136 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.656 14.122 -11.186 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.532 12.047 -10.686 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.538 15.425 -13.924 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.154 14.305 -12.483 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.470 13.495 -10.234 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.050 11.326 -9.593 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.320 11.393 -11.633 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.615 14.784 -14.556 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.127 16.448 -14.625 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.436 13.872 -12.821 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.745 13.055 -10.577 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.372 9.980 -9.426 1.00 0.00 C HETATM 1455 CE4 48M A 200 1.649 10.051 -11.464 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.079 15.202 -15.798 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.351 16.869 -15.871 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.229 13.250 -11.863 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.178 9.340 -10.363 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.463 16.261 -16.449 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.828 12.735 -12.255 1.00 0.00 CL HETATM 1462 CL1 48M A 200 2.682 9.280 -12.606 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -1.987 16.715 -17.713 1.00 0.00 C HETATM 1464 CM2 48M A 200 3.046 16.561 -15.765 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.331 18.219 -13.875 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.423 17.062 -18.711 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.960 20.269 -11.874 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.036 19.782 -12.513 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.890 21.472 -11.707 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.336 18.351 -12.641 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.153 17.828 -11.547 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.601 17.519 -11.574 1.00 0.00 C HETATM 1473 N3 48M A 200 0.703 15.637 -11.659 1.00 0.00 N HETATM 1474 C4 48M A 200 0.105 19.289 -11.374 1.00 0.00 C HETATM 1475 C5 48M A 200 0.845 16.932 -11.298 1.00 0.00 C HETATM 1476 O5 48M A 200 1.849 17.297 -10.713 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.175 14.957 -12.547 1.00 0.00 C HETATM 1478 O6 48M A 200 1.287 16.995 -14.111 1.00 0.00 O HETATM 1479 C7 48M A 200 0.133 13.511 -10.847 1.00 0.00 C HETATM 1480 C8 48M A 200 1.253 14.591 -10.781 1.00 0.00 C HETATM 1481 C9 48M A 200 2.344 17.614 -14.884 1.00 0.00 C