USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= -0.0102 K(o=0.32,f=-0.63) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.33 USER MOD Set 2.1: A 73 MET CE :methyl -155:sc= -0.0105 (180deg=-0.293) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.1) 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= -0.389 X(o=-0.39,f=-0.052) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 46 MET CE :methyl 172:sc= -0.0216 (180deg=-0.0998) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0939 USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 0.725 (180deg=0.01) USER MOD Single : A 53 MET CE :methyl 174:sc= -0.0142 (180deg=-0.0701) USER MOD Single : A 54 HIS : no HD1:sc=-0.00245 X(o=-0.0024,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0036) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -175:sc= -2.44 (180deg=-2.62) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 69 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.898 K(o=0.9,f=-0.32) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.233 USER MOD Single : A 88 GLN : amide:sc= 0.133 X(o=0.13,f=-0.19) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 176:sc= 0 (180deg=-0.0236) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.86) USER MOD Single : A 105 ASN : amide:sc= 1.2 K(o=1.2,f=-1.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.582 11.874 6.560 1.00 0.00 N ATOM 2 CA GLN A 23 2.662 12.740 7.042 1.00 0.00 C ATOM 3 C GLN A 23 4.026 12.027 7.181 1.00 0.00 C ATOM 4 O GLN A 23 4.178 10.838 6.877 1.00 0.00 O ATOM 5 CB GLN A 23 2.222 13.424 8.354 1.00 0.00 C ATOM 6 CG GLN A 23 2.016 12.454 9.533 1.00 0.00 C ATOM 7 CD GLN A 23 1.629 13.196 10.812 1.00 0.00 C ATOM 8 OE1 GLN A 23 0.460 13.400 11.119 1.00 0.00 O ATOM 9 NE2 GLN A 23 2.584 13.643 11.604 1.00 0.00 N ATOM 0 HA GLN A 23 2.836 13.500 6.280 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.971 14.164 8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.292 13.964 8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.238 11.734 9.280 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.932 11.888 9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.562 13.482 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.344 14.149 12.456 1.00 0.00 H new ATOM 18 N ILE A 24 5.031 12.775 7.655 1.00 0.00 N ATOM 19 CA ILE A 24 6.417 12.320 7.842 1.00 0.00 C ATOM 20 C ILE A 24 6.493 11.135 8.819 1.00 0.00 C ATOM 21 O ILE A 24 5.957 11.194 9.928 1.00 0.00 O ATOM 22 CB ILE A 24 7.313 13.487 8.329 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.180 14.775 7.481 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.786 13.046 8.389 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.280 14.580 5.962 1.00 0.00 C ATOM 0 H ILE A 24 4.898 13.748 7.929 1.00 0.00 H new ATOM 0 HA ILE A 24 6.787 11.977 6.876 1.00 0.00 H new ATOM 0 HB ILE A 24 6.957 13.739 9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.221 15.241 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.955 15.475 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.401 13.878 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.887 12.209 9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.114 12.738 7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.174 15.544 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.249 14.148 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.488 13.910 5.628 1.00 0.00 H new ATOM 37 N ASN A 25 7.188 10.072 8.401 1.00 0.00 N ATOM 38 CA ASN A 25 7.463 8.874 9.202 1.00 0.00 C ATOM 39 C ASN A 25 8.957 8.510 9.133 1.00 0.00 C ATOM 40 O ASN A 25 9.739 8.915 9.995 1.00 0.00 O ATOM 41 CB ASN A 25 6.500 7.734 8.799 1.00 0.00 C ATOM 42 CG ASN A 25 5.121 7.868 9.432 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.834 7.279 10.466 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.218 8.627 8.852 1.00 0.00 N ATOM 0 H ASN A 25 7.588 10.020 7.464 1.00 0.00 H new ATOM 0 HA ASN A 25 7.265 9.069 10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.396 7.720 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.936 6.778 9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.290 8.720 9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.446 9.123 7.990 1.00 0.00 H new ATOM 51 N GLN A 26 9.348 7.768 8.095 1.00 0.00 N ATOM 52 CA GLN A 26 10.709 7.285 7.847 1.00 0.00 C ATOM 53 C GLN A 26 10.995 7.133 6.343 1.00 0.00 C ATOM 54 O GLN A 26 10.158 6.627 5.595 1.00 0.00 O ATOM 55 CB GLN A 26 10.874 5.946 8.583 1.00 0.00 C ATOM 56 CG GLN A 26 9.954 4.813 8.076 1.00 0.00 C ATOM 57 CD GLN A 26 10.539 3.932 6.964 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.728 3.917 6.667 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.712 3.140 6.313 1.00 0.00 N ATOM 0 H GLN A 26 8.694 7.473 7.370 1.00 0.00 H new ATOM 0 HA GLN A 26 11.430 8.012 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.911 5.622 8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.682 6.104 9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.693 4.175 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.027 5.257 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.719 3.138 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.065 2.529 5.577 1.00 0.00 H new ATOM 68 N VAL A 27 12.164 7.594 5.892 1.00 0.00 N ATOM 69 CA VAL A 27 12.653 7.488 4.498 1.00 0.00 C ATOM 70 C VAL A 27 14.161 7.751 4.415 1.00 0.00 C ATOM 71 O VAL A 27 14.752 8.320 5.335 1.00 0.00 O ATOM 72 CB VAL A 27 11.881 8.477 3.598 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.140 9.921 4.017 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.120 8.301 2.089 1.00 0.00 C ATOM 0 H VAL A 27 12.827 8.070 6.503 1.00 0.00 H new ATOM 0 HA VAL A 27 12.476 6.471 4.148 1.00 0.00 H new ATOM 0 HB VAL A 27 10.830 8.233 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.583 10.594 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.817 10.064 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.205 10.137 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.536 9.039 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.179 8.439 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.815 7.299 1.787 1.00 0.00 H new ATOM 84 N ARG A 28 14.783 7.422 3.278 1.00 0.00 N ATOM 85 CA ARG A 28 16.158 7.804 2.947 1.00 0.00 C ATOM 86 C ARG A 28 16.267 8.058 1.429 1.00 0.00 C ATOM 87 O ARG A 28 16.028 7.121 0.663 1.00 0.00 O ATOM 88 CB ARG A 28 17.109 6.643 3.349 1.00 0.00 C ATOM 89 CG ARG A 28 17.308 6.357 4.852 1.00 0.00 C ATOM 90 CD ARG A 28 18.250 7.330 5.574 1.00 0.00 C ATOM 91 NE ARG A 28 17.752 8.719 5.551 1.00 0.00 N ATOM 92 CZ ARG A 28 18.456 9.802 5.271 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.744 9.808 5.095 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.902 10.959 5.111 1.00 0.00 N ATOM 0 H ARG A 28 14.334 6.871 2.547 1.00 0.00 H new ATOM 0 HA ARG A 28 16.433 8.712 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.738 5.731 2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.088 6.848 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.336 6.383 5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.697 5.345 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.376 7.009 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.234 7.292 5.107 1.00 0.00 H new ATOM 0 HE ARG A 28 16.766 8.857 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.273 8.939 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.225 10.681 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.891 11.057 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.476 11.774 4.896 1.00 0.00 H new ATOM 108 N PRO A 29 16.567 9.291 0.976 1.00 0.00 N ATOM 109 CA PRO A 29 16.706 9.627 -0.444 1.00 0.00 C ATOM 110 C PRO A 29 18.160 9.504 -0.952 1.00 0.00 C ATOM 111 O PRO A 29 19.096 9.318 -0.171 1.00 0.00 O ATOM 112 CB PRO A 29 16.167 11.057 -0.532 1.00 0.00 C ATOM 113 CG PRO A 29 16.683 11.671 0.767 1.00 0.00 C ATOM 114 CD PRO A 29 16.571 10.520 1.764 1.00 0.00 C ATOM 0 HA PRO A 29 16.160 8.936 -1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.544 11.582 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.079 11.080 -0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.711 12.019 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.084 12.529 1.073 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.407 10.530 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.659 10.605 2.355 1.00 0.00 H new ATOM 122 N LYS A 30 18.351 9.663 -2.271 1.00 0.00 N ATOM 123 CA LYS A 30 19.672 9.785 -2.929 1.00 0.00 C ATOM 124 C LYS A 30 20.047 11.256 -3.085 1.00 0.00 C ATOM 125 O LYS A 30 19.171 12.075 -3.349 1.00 0.00 O ATOM 126 CB LYS A 30 19.621 9.078 -4.295 1.00 0.00 C ATOM 127 CG LYS A 30 20.947 8.483 -4.798 1.00 0.00 C ATOM 128 CD LYS A 30 21.426 7.284 -3.962 1.00 0.00 C ATOM 129 CE LYS A 30 22.477 6.488 -4.747 1.00 0.00 C ATOM 130 NZ LYS A 30 23.001 5.336 -3.962 1.00 0.00 N ATOM 0 H LYS A 30 17.575 9.712 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 30 20.437 9.310 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.884 8.276 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.261 9.791 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.828 8.170 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.714 9.257 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.849 7.632 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.581 6.642 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.038 6.125 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.302 7.146 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.708 4.824 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.443 5.684 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.218 4.694 -3.723 1.00 0.00 H new ATOM 144 N LEU A 31 21.328 11.609 -3.001 1.00 0.00 N ATOM 145 CA LEU A 31 21.758 13.021 -2.967 1.00 0.00 C ATOM 146 C LEU A 31 21.410 13.849 -4.227 1.00 0.00 C ATOM 147 O LEU A 31 20.986 14.996 -4.067 1.00 0.00 O ATOM 148 CB LEU A 31 23.254 13.128 -2.599 1.00 0.00 C ATOM 149 CG LEU A 31 23.661 12.503 -1.248 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.158 12.710 -1.019 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.907 13.107 -0.063 1.00 0.00 C ATOM 0 H LEU A 31 22.096 10.939 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 31 21.163 13.484 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.837 12.653 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.531 14.182 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 31 23.409 11.444 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.445 12.268 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.718 12.233 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.380 13.777 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.235 12.628 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.111 14.176 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.837 12.948 -0.193 1.00 0.00 H new ATOM 163 N PRO A 32 21.464 13.303 -5.461 1.00 0.00 N ATOM 164 CA PRO A 32 21.024 14.039 -6.651 1.00 0.00 C ATOM 165 C PRO A 32 19.508 14.272 -6.706 1.00 0.00 C ATOM 166 O PRO A 32 19.061 15.256 -7.290 1.00 0.00 O ATOM 167 CB PRO A 32 21.525 13.222 -7.850 1.00 0.00 C ATOM 168 CG PRO A 32 22.640 12.353 -7.275 1.00 0.00 C ATOM 169 CD PRO A 32 22.128 12.073 -5.869 1.00 0.00 C ATOM 0 HA PRO A 32 21.437 15.048 -6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.728 12.614 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.895 13.869 -8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.780 11.437 -7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.598 12.872 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.438 11.230 -5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.946 11.822 -5.193 1.00 0.00 H new ATOM 177 N LEU A 33 18.713 13.410 -6.059 1.00 0.00 N ATOM 178 CA LEU A 33 17.249 13.492 -6.043 1.00 0.00 C ATOM 179 C LEU A 33 16.780 14.359 -4.876 1.00 0.00 C ATOM 180 O LEU A 33 15.906 15.195 -5.063 1.00 0.00 O ATOM 181 CB LEU A 33 16.616 12.083 -6.109 1.00 0.00 C ATOM 182 CG LEU A 33 16.048 11.691 -7.494 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.802 12.512 -7.840 1.00 0.00 C ATOM 184 CD2 LEU A 33 17.058 11.849 -8.633 1.00 0.00 C ATOM 0 H LEU A 33 19.077 12.622 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 33 16.893 13.997 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.367 11.349 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.814 12.026 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 33 15.795 10.634 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.429 12.212 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.032 12.338 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.058 13.571 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.593 11.557 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.378 12.889 -8.694 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.923 11.214 -8.443 1.00 0.00 H new ATOM 196 N LEU A 34 17.431 14.260 -3.713 1.00 0.00 N ATOM 197 CA LEU A 34 17.285 15.189 -2.586 1.00 0.00 C ATOM 198 C LEU A 34 17.386 16.638 -3.076 1.00 0.00 C ATOM 199 O LEU A 34 16.571 17.467 -2.689 1.00 0.00 O ATOM 200 CB LEU A 34 18.409 14.879 -1.597 1.00 0.00 C ATOM 201 CG LEU A 34 18.551 15.823 -0.387 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.596 15.147 0.509 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.155 17.206 -0.670 1.00 0.00 C ATOM 0 H LEU A 34 18.094 13.509 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 34 16.312 15.071 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.262 13.866 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.352 14.883 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 34 17.547 15.979 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.760 15.755 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.239 14.160 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.533 15.045 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.204 17.778 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.159 17.088 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.531 17.735 -1.391 1.00 0.00 H new ATOM 215 N LYS A 35 18.348 16.944 -3.959 1.00 0.00 N ATOM 216 CA LYS A 35 18.511 18.290 -4.535 1.00 0.00 C ATOM 217 C LYS A 35 17.314 18.729 -5.381 1.00 0.00 C ATOM 218 O LYS A 35 16.908 19.883 -5.268 1.00 0.00 O ATOM 219 CB LYS A 35 19.848 18.391 -5.298 1.00 0.00 C ATOM 220 CG LYS A 35 20.896 19.130 -4.450 1.00 0.00 C ATOM 221 CD LYS A 35 20.658 20.652 -4.442 1.00 0.00 C ATOM 222 CE LYS A 35 21.397 21.306 -3.268 1.00 0.00 C ATOM 223 NZ LYS A 35 21.361 22.793 -3.349 1.00 0.00 N ATOM 0 H LYS A 35 19.034 16.268 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 35 18.544 18.998 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.209 17.393 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.697 18.917 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.868 18.753 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.892 18.920 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.002 21.085 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.590 20.859 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.946 20.982 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.433 20.968 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.871 23.197 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.814 23.104 -4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.373 23.118 -3.333 1.00 0.00 H new ATOM 237 N ILE A 36 16.685 17.817 -6.131 1.00 0.00 N ATOM 238 CA ILE A 36 15.397 18.087 -6.798 1.00 0.00 C ATOM 239 C ILE A 36 14.326 18.375 -5.738 1.00 0.00 C ATOM 240 O ILE A 36 13.555 19.319 -5.870 1.00 0.00 O ATOM 241 CB ILE A 36 14.944 16.923 -7.708 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.037 16.416 -8.669 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.710 17.344 -8.524 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.875 17.478 -9.382 1.00 0.00 C ATOM 0 H ILE A 36 17.047 16.877 -6.295 1.00 0.00 H new ATOM 0 HA ILE A 36 15.534 18.956 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 36 14.707 16.096 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.712 15.772 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.561 15.794 -9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.397 16.518 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.898 17.606 -7.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.959 18.206 -9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.606 16.992 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.224 18.111 -9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.393 18.089 -8.643 1.00 0.00 H new ATOM 256 N LEU A 37 14.319 17.596 -4.653 1.00 0.00 N ATOM 257 CA LEU A 37 13.326 17.660 -3.579 1.00 0.00 C ATOM 258 C LEU A 37 13.394 18.972 -2.783 1.00 0.00 C ATOM 259 O LEU A 37 12.372 19.621 -2.561 1.00 0.00 O ATOM 260 CB LEU A 37 13.385 16.362 -2.749 1.00 0.00 C ATOM 261 CG LEU A 37 13.003 15.125 -3.595 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.394 13.809 -2.932 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.506 15.074 -3.867 1.00 0.00 C ATOM 0 H LEU A 37 15.028 16.880 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 37 12.323 17.701 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.390 16.232 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.709 16.443 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 37 13.559 15.237 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.100 12.977 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.473 13.785 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.889 13.722 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.274 14.192 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.966 15.024 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.204 15.969 -4.411 1.00 0.00 H new ATOM 275 N HIS A 38 14.602 19.431 -2.458 1.00 0.00 N ATOM 276 CA HIS A 38 14.850 20.753 -1.865 1.00 0.00 C ATOM 277 C HIS A 38 14.468 21.874 -2.852 1.00 0.00 C ATOM 278 O HIS A 38 13.706 22.773 -2.502 1.00 0.00 O ATOM 279 CB HIS A 38 16.331 20.888 -1.475 1.00 0.00 C ATOM 280 CG HIS A 38 16.727 20.168 -0.207 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.788 20.537 0.625 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.132 19.054 0.310 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.818 19.628 1.614 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.836 18.723 1.449 1.00 0.00 N ATOM 0 H HIS A 38 15.454 18.888 -2.600 1.00 0.00 H new ATOM 0 HA HIS A 38 14.232 20.848 -0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.943 20.511 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.566 21.946 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.277 18.533 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.530 19.624 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.645 17.929 2.061 1.00 0.00 H new ATOM 292 N ALA A 39 14.933 21.806 -4.109 1.00 0.00 N ATOM 293 CA ALA A 39 14.673 22.837 -5.122 1.00 0.00 C ATOM 294 C ALA A 39 13.176 22.973 -5.477 1.00 0.00 C ATOM 295 O ALA A 39 12.700 24.076 -5.755 1.00 0.00 O ATOM 296 CB ALA A 39 15.519 22.525 -6.362 1.00 0.00 C ATOM 0 H ALA A 39 15.502 21.031 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 39 14.958 23.805 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.338 23.282 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.575 22.527 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.246 21.544 -6.751 1.00 0.00 H new ATOM 302 N ALA A 40 12.420 21.873 -5.403 1.00 0.00 N ATOM 303 CA ALA A 40 10.960 21.856 -5.545 1.00 0.00 C ATOM 304 C ALA A 40 10.193 22.505 -4.371 1.00 0.00 C ATOM 305 O ALA A 40 9.000 22.789 -4.512 1.00 0.00 O ATOM 306 CB ALA A 40 10.515 20.403 -5.728 1.00 0.00 C ATOM 0 H ALA A 40 12.816 20.947 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 40 10.715 22.466 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.431 20.365 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.983 19.989 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.814 19.819 -4.858 1.00 0.00 H new ATOM 312 N GLY A 41 10.849 22.743 -3.228 1.00 0.00 N ATOM 313 CA GLY A 41 10.281 23.459 -2.079 1.00 0.00 C ATOM 314 C GLY A 41 10.712 22.946 -0.697 1.00 0.00 C ATOM 315 O GLY A 41 10.453 23.631 0.296 1.00 0.00 O ATOM 0 H GLY A 41 11.810 22.437 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.555 24.511 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.194 23.407 -2.143 1.00 0.00 H new ATOM 319 N ALA A 42 11.359 21.777 -0.601 1.00 0.00 N ATOM 320 CA ALA A 42 11.801 21.213 0.674 1.00 0.00 C ATOM 321 C ALA A 42 13.154 21.790 1.162 1.00 0.00 C ATOM 322 O ALA A 42 13.728 22.710 0.577 1.00 0.00 O ATOM 323 CB ALA A 42 11.809 19.682 0.545 1.00 0.00 C ATOM 0 H ALA A 42 11.589 21.198 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 42 11.099 21.504 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.136 19.239 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.804 19.332 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.492 19.388 -0.251 1.00 0.00 H new ATOM 329 N GLN A 43 13.659 21.226 2.262 1.00 0.00 N ATOM 330 CA GLN A 43 14.876 21.619 2.971 1.00 0.00 C ATOM 331 C GLN A 43 15.439 20.586 3.979 1.00 0.00 C ATOM 332 O GLN A 43 16.345 20.893 4.757 1.00 0.00 O ATOM 333 CB GLN A 43 14.590 22.954 3.672 1.00 0.00 C ATOM 334 CG GLN A 43 13.459 22.920 4.720 1.00 0.00 C ATOM 335 CD GLN A 43 13.259 24.254 5.448 1.00 0.00 C ATOM 336 OE1 GLN A 43 13.932 25.254 5.221 1.00 0.00 O ATOM 337 NE2 GLN A 43 12.315 24.326 6.365 1.00 0.00 N ATOM 0 H GLN A 43 13.199 20.433 2.708 1.00 0.00 H new ATOM 0 HA GLN A 43 15.664 21.698 2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.504 23.293 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.339 23.697 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.527 22.640 4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.678 22.144 5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.742 23.508 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.158 25.200 6.868 1.00 0.00 H new ATOM 346 N GLY A 44 14.901 19.364 3.986 1.00 0.00 N ATOM 347 CA GLY A 44 15.246 18.298 4.942 1.00 0.00 C ATOM 348 C GLY A 44 14.949 16.913 4.371 1.00 0.00 C ATOM 349 O GLY A 44 13.808 16.606 4.050 1.00 0.00 O ATOM 0 H GLY A 44 14.193 19.076 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.303 18.367 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.684 18.440 5.865 1.00 0.00 H new ATOM 353 N GLU A 45 15.983 16.080 4.236 1.00 0.00 N ATOM 354 CA GLU A 45 16.018 14.789 3.518 1.00 0.00 C ATOM 355 C GLU A 45 15.285 13.612 4.193 1.00 0.00 C ATOM 356 O GLU A 45 15.766 12.479 4.209 1.00 0.00 O ATOM 357 CB GLU A 45 17.481 14.481 3.154 1.00 0.00 C ATOM 358 CG GLU A 45 18.405 14.429 4.387 1.00 0.00 C ATOM 359 CD GLU A 45 19.787 13.819 4.087 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.922 12.574 4.200 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.748 14.573 3.806 1.00 0.00 O ATOM 0 H GLU A 45 16.887 16.299 4.653 1.00 0.00 H new ATOM 0 HA GLU A 45 15.423 14.907 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.527 13.526 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.847 15.241 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.538 15.439 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.921 13.847 5.171 1.00 0.00 H new ATOM 368 N MET A 46 14.102 13.867 4.747 1.00 0.00 N ATOM 369 CA MET A 46 13.264 12.884 5.445 1.00 0.00 C ATOM 370 C MET A 46 11.813 12.905 4.900 1.00 0.00 C ATOM 371 O MET A 46 10.847 12.615 5.601 1.00 0.00 O ATOM 372 CB MET A 46 13.368 13.187 6.957 1.00 0.00 C ATOM 373 CG MET A 46 12.766 12.156 7.928 1.00 0.00 C ATOM 374 SD MET A 46 13.244 10.418 7.712 1.00 0.00 S ATOM 375 CE MET A 46 15.043 10.587 7.585 1.00 0.00 C ATOM 0 H MET A 46 13.682 14.796 4.724 1.00 0.00 H new ATOM 0 HA MET A 46 13.609 11.865 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.423 13.308 7.205 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.885 14.147 7.142 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.033 12.454 8.942 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.680 12.218 7.853 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.503 9.599 7.591 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.296 11.099 6.656 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.415 11.165 8.431 1.00 0.00 H new ATOM 385 N PHE A 47 11.651 13.257 3.622 1.00 0.00 N ATOM 386 CA PHE A 47 10.361 13.298 2.904 1.00 0.00 C ATOM 387 C PHE A 47 9.938 11.901 2.405 1.00 0.00 C ATOM 388 O PHE A 47 10.677 11.261 1.662 1.00 0.00 O ATOM 389 CB PHE A 47 10.394 14.340 1.761 1.00 0.00 C ATOM 390 CG PHE A 47 11.761 14.824 1.296 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.670 13.935 0.693 1.00 0.00 C ATOM 392 CD2 PHE A 47 12.129 16.169 1.481 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.935 14.391 0.281 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.394 16.625 1.068 1.00 0.00 C ATOM 395 CZ PHE A 47 14.295 15.738 0.458 1.00 0.00 C ATOM 0 H PHE A 47 12.437 13.532 3.033 1.00 0.00 H new ATOM 0 HA PHE A 47 9.597 13.618 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.877 13.914 0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.819 15.209 2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.396 12.901 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.436 16.856 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.633 13.703 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.672 17.657 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.261 16.089 0.126 1.00 0.00 H new ATOM 405 N THR A 48 8.759 11.416 2.814 1.00 0.00 N ATOM 406 CA THR A 48 8.206 10.074 2.489 1.00 0.00 C ATOM 407 C THR A 48 7.637 10.024 1.062 1.00 0.00 C ATOM 408 O THR A 48 7.540 11.058 0.415 1.00 0.00 O ATOM 409 CB THR A 48 7.146 9.660 3.540 1.00 0.00 C ATOM 410 OG1 THR A 48 6.455 10.798 4.014 1.00 0.00 O ATOM 411 CG2 THR A 48 7.785 8.975 4.753 1.00 0.00 C ATOM 0 H THR A 48 8.131 11.961 3.405 1.00 0.00 H new ATOM 0 HA THR A 48 9.023 9.353 2.527 1.00 0.00 H new ATOM 0 HB THR A 48 6.467 8.967 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.787 10.523 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.008 8.700 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.313 8.078 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.489 9.659 5.228 1.00 0.00 H new ATOM 419 N VAL A 49 7.231 8.858 0.528 1.00 0.00 N ATOM 420 CA VAL A 49 6.800 8.725 -0.895 1.00 0.00 C ATOM 421 C VAL A 49 5.670 9.691 -1.282 1.00 0.00 C ATOM 422 O VAL A 49 5.696 10.280 -2.361 1.00 0.00 O ATOM 423 CB VAL A 49 6.450 7.260 -1.244 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.231 6.707 -0.495 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.247 7.049 -2.747 1.00 0.00 C ATOM 0 H VAL A 49 7.189 7.985 1.054 1.00 0.00 H new ATOM 0 HA VAL A 49 7.658 9.017 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 49 7.324 6.700 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.055 5.675 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.416 6.743 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.354 7.309 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.003 6.004 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.431 7.682 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.162 7.311 -3.278 1.00 0.00 H new ATOM 435 N LYS A 50 4.742 9.934 -0.348 1.00 0.00 N ATOM 436 CA LYS A 50 3.643 10.909 -0.459 1.00 0.00 C ATOM 437 C LYS A 50 4.151 12.337 -0.706 1.00 0.00 C ATOM 438 O LYS A 50 3.574 13.075 -1.502 1.00 0.00 O ATOM 439 CB LYS A 50 2.826 10.858 0.845 1.00 0.00 C ATOM 440 CG LYS A 50 2.137 9.499 1.077 1.00 0.00 C ATOM 441 CD LYS A 50 1.439 9.399 2.443 1.00 0.00 C ATOM 442 CE LYS A 50 2.436 9.449 3.615 1.00 0.00 C ATOM 443 NZ LYS A 50 1.758 9.212 4.921 1.00 0.00 N ATOM 0 H LYS A 50 4.734 9.438 0.543 1.00 0.00 H new ATOM 0 HA LYS A 50 3.027 10.644 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.484 11.073 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.070 11.643 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.403 9.332 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.879 8.704 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.723 10.215 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.872 8.470 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.212 8.699 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.931 10.420 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.700 10.106 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.799 8.847 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.301 8.518 5.473 1.00 0.00 H new ATOM 457 N GLU A 51 5.261 12.699 -0.063 1.00 0.00 N ATOM 458 CA GLU A 51 5.956 13.981 -0.230 1.00 0.00 C ATOM 459 C GLU A 51 6.839 13.985 -1.488 1.00 0.00 C ATOM 460 O GLU A 51 6.761 14.910 -2.290 1.00 0.00 O ATOM 461 CB GLU A 51 6.810 14.269 1.020 1.00 0.00 C ATOM 462 CG GLU A 51 6.029 14.324 2.339 1.00 0.00 C ATOM 463 CD GLU A 51 4.948 15.423 2.333 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.293 16.620 2.482 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.743 15.098 2.194 1.00 0.00 O ATOM 0 H GLU A 51 5.719 12.088 0.613 1.00 0.00 H new ATOM 0 HA GLU A 51 5.207 14.763 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.578 13.500 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.324 15.220 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.560 13.357 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.721 14.503 3.162 1.00 0.00 H new ATOM 472 N VAL A 52 7.644 12.935 -1.698 1.00 0.00 N ATOM 473 CA VAL A 52 8.584 12.793 -2.829 1.00 0.00 C ATOM 474 C VAL A 52 7.869 12.927 -4.169 1.00 0.00 C ATOM 475 O VAL A 52 8.274 13.739 -4.998 1.00 0.00 O ATOM 476 CB VAL A 52 9.341 11.448 -2.748 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.153 11.091 -4.001 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.316 11.465 -1.570 1.00 0.00 C ATOM 0 H VAL A 52 7.663 12.133 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 52 9.310 13.603 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 52 8.559 10.698 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.649 10.132 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.486 11.025 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.902 11.862 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.845 10.513 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.035 12.273 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.764 11.621 -0.643 1.00 0.00 H new ATOM 488 N MET A 53 6.781 12.183 -4.381 1.00 0.00 N ATOM 489 CA MET A 53 6.048 12.239 -5.649 1.00 0.00 C ATOM 490 C MET A 53 5.334 13.584 -5.827 1.00 0.00 C ATOM 491 O MET A 53 5.330 14.125 -6.930 1.00 0.00 O ATOM 492 CB MET A 53 5.074 11.055 -5.759 1.00 0.00 C ATOM 493 CG MET A 53 5.778 9.690 -5.706 1.00 0.00 C ATOM 494 SD MET A 53 7.189 9.451 -6.826 1.00 0.00 S ATOM 495 CE MET A 53 6.384 9.560 -8.446 1.00 0.00 C ATOM 0 H MET A 53 6.389 11.538 -3.695 1.00 0.00 H new ATOM 0 HA MET A 53 6.768 12.156 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.347 11.114 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.518 11.135 -6.693 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.123 9.525 -4.685 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.039 8.918 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.141 9.538 -9.230 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.706 8.716 -8.573 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.821 10.491 -8.511 1.00 0.00 H new ATOM 505 N HIS A 54 4.819 14.187 -4.749 1.00 0.00 N ATOM 506 CA HIS A 54 4.233 15.535 -4.795 1.00 0.00 C ATOM 507 C HIS A 54 5.266 16.596 -5.196 1.00 0.00 C ATOM 508 O HIS A 54 5.022 17.393 -6.098 1.00 0.00 O ATOM 509 CB HIS A 54 3.596 15.876 -3.438 1.00 0.00 C ATOM 510 CG HIS A 54 2.898 17.217 -3.398 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.839 18.068 -2.289 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.219 17.797 -4.431 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.122 19.137 -2.681 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.734 18.998 -3.961 1.00 0.00 N ATOM 0 H HIS A 54 4.796 13.758 -3.824 1.00 0.00 H new ATOM 0 HA HIS A 54 3.459 15.539 -5.563 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.877 15.098 -3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.371 15.860 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.088 17.393 -5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.891 19.987 -2.056 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.177 19.667 -4.493 1.00 0.00 H new ATOM 522 N TYR A 55 6.448 16.592 -4.583 1.00 0.00 N ATOM 523 CA TYR A 55 7.567 17.456 -4.979 1.00 0.00 C ATOM 524 C TYR A 55 8.021 17.206 -6.424 1.00 0.00 C ATOM 525 O TYR A 55 8.287 18.172 -7.133 1.00 0.00 O ATOM 526 CB TYR A 55 8.734 17.317 -3.990 1.00 0.00 C ATOM 527 CG TYR A 55 8.540 18.043 -2.668 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.323 19.437 -2.650 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.600 17.332 -1.452 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.131 20.109 -1.428 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.402 17.999 -0.227 1.00 0.00 C ATOM 532 CZ TYR A 55 8.162 19.391 -0.212 1.00 0.00 C ATOM 533 OH TYR A 55 7.975 20.053 0.964 1.00 0.00 O ATOM 0 H TYR A 55 6.661 15.986 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 55 7.209 18.485 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.895 16.258 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.641 17.692 -4.465 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.304 19.991 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.799 16.270 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.960 21.175 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.434 17.446 0.700 1.00 0.00 H new ATOM 0 HH TYR A 55 8.024 19.418 1.708 1.00 0.00 H new ATOM 543 N LEU A 56 8.033 15.958 -6.902 1.00 0.00 N ATOM 544 CA LEU A 56 8.401 15.629 -8.284 1.00 0.00 C ATOM 545 C LEU A 56 7.381 16.181 -9.292 1.00 0.00 C ATOM 546 O LEU A 56 7.775 16.842 -10.251 1.00 0.00 O ATOM 547 CB LEU A 56 8.567 14.103 -8.422 1.00 0.00 C ATOM 548 CG LEU A 56 9.880 13.551 -7.836 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.816 12.026 -7.746 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.075 13.902 -8.716 1.00 0.00 C ATOM 0 H LEU A 56 7.787 15.144 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 56 9.352 16.108 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.728 13.612 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.515 13.838 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 56 10.002 14.000 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.749 11.647 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.987 11.734 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.666 11.609 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.985 13.497 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.934 13.475 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.162 14.986 -8.796 1.00 0.00 H new ATOM 562 N GLY A 57 6.080 15.988 -9.051 1.00 0.00 N ATOM 563 CA GLY A 57 5.019 16.523 -9.913 1.00 0.00 C ATOM 564 C GLY A 57 5.044 18.054 -9.976 1.00 0.00 C ATOM 565 O GLY A 57 5.089 18.637 -11.061 1.00 0.00 O ATOM 0 H GLY A 57 5.732 15.457 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.131 16.117 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.049 16.192 -9.542 1.00 0.00 H new ATOM 569 N GLN A 58 5.146 18.712 -8.812 1.00 0.00 N ATOM 570 CA GLN A 58 5.308 20.175 -8.735 1.00 0.00 C ATOM 571 C GLN A 58 6.518 20.639 -9.529 1.00 0.00 C ATOM 572 O GLN A 58 6.401 21.533 -10.353 1.00 0.00 O ATOM 573 CB GLN A 58 5.505 20.641 -7.286 1.00 0.00 C ATOM 574 CG GLN A 58 4.223 20.499 -6.477 1.00 0.00 C ATOM 575 CD GLN A 58 4.478 20.765 -4.998 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.112 21.791 -4.438 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.143 19.851 -4.328 1.00 0.00 N ATOM 0 H GLN A 58 5.119 18.251 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 58 4.396 20.605 -9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.298 20.057 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.829 21.682 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.473 21.196 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.817 19.495 -6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.447 18.997 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.355 19.996 -3.341 1.00 0.00 H new ATOM 586 N TYR A 59 7.666 20.011 -9.306 1.00 0.00 N ATOM 587 CA TYR A 59 8.921 20.368 -9.978 1.00 0.00 C ATOM 588 C TYR A 59 8.823 20.277 -11.509 1.00 0.00 C ATOM 589 O TYR A 59 9.194 21.225 -12.202 1.00 0.00 O ATOM 590 CB TYR A 59 10.046 19.489 -9.441 1.00 0.00 C ATOM 591 CG TYR A 59 11.433 19.902 -9.900 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.143 20.890 -9.188 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.013 19.305 -11.036 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.439 21.266 -9.591 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.305 19.686 -11.448 1.00 0.00 C ATOM 596 CZ TYR A 59 14.026 20.662 -10.725 1.00 0.00 C ATOM 597 OH TYR A 59 15.282 21.013 -11.120 1.00 0.00 O ATOM 0 H TYR A 59 7.759 19.235 -8.651 1.00 0.00 H new ATOM 0 HA TYR A 59 9.137 21.413 -9.756 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.016 19.506 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.866 18.459 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.690 21.361 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.468 18.556 -11.591 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.983 22.015 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.747 19.229 -12.321 1.00 0.00 H new ATOM 0 HH TYR A 59 15.530 20.499 -11.917 1.00 0.00 H new ATOM 607 N ILE A 60 8.242 19.195 -12.041 1.00 0.00 N ATOM 608 CA ILE A 60 7.984 19.021 -13.482 1.00 0.00 C ATOM 609 C ILE A 60 7.062 20.143 -13.997 1.00 0.00 C ATOM 610 O ILE A 60 7.378 20.777 -15.006 1.00 0.00 O ATOM 611 CB ILE A 60 7.430 17.595 -13.742 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.499 16.525 -13.403 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.983 17.358 -15.198 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.932 15.103 -13.300 1.00 0.00 C ATOM 0 H ILE A 60 7.932 18.403 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 60 8.912 19.107 -14.048 1.00 0.00 H new ATOM 0 HB ILE A 60 6.556 17.508 -13.097 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.275 16.543 -14.168 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.976 16.786 -12.459 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.608 16.340 -15.302 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.193 18.064 -15.456 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.831 17.502 -15.867 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.736 14.407 -13.061 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.176 15.069 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.480 14.822 -14.251 1.00 0.00 H new ATOM 626 N MET A 61 5.976 20.467 -13.286 1.00 0.00 N ATOM 627 CA MET A 61 5.069 21.571 -13.653 1.00 0.00 C ATOM 628 C MET A 61 5.704 22.967 -13.506 1.00 0.00 C ATOM 629 O MET A 61 5.397 23.858 -14.298 1.00 0.00 O ATOM 630 CB MET A 61 3.773 21.486 -12.825 1.00 0.00 C ATOM 631 CG MET A 61 2.709 20.550 -13.419 1.00 0.00 C ATOM 632 SD MET A 61 3.144 18.795 -13.582 1.00 0.00 S ATOM 633 CE MET A 61 3.735 18.748 -15.292 1.00 0.00 C ATOM 0 H MET A 61 5.697 19.973 -12.438 1.00 0.00 H new ATOM 0 HA MET A 61 4.846 21.448 -14.713 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.019 21.147 -11.819 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.349 22.486 -12.729 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.814 20.620 -12.800 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.443 20.925 -14.407 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.956 17.718 -15.572 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.966 19.147 -15.954 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.639 19.351 -15.381 1.00 0.00 H new ATOM 643 N VAL A 62 6.609 23.170 -12.542 1.00 0.00 N ATOM 644 CA VAL A 62 7.254 24.456 -12.244 1.00 0.00 C ATOM 645 C VAL A 62 8.363 24.765 -13.246 1.00 0.00 C ATOM 646 O VAL A 62 8.476 25.896 -13.723 1.00 0.00 O ATOM 647 CB VAL A 62 7.761 24.413 -10.785 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.897 25.378 -10.465 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.605 24.702 -9.822 1.00 0.00 C ATOM 0 H VAL A 62 6.924 22.420 -11.927 1.00 0.00 H new ATOM 0 HA VAL A 62 6.537 25.271 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 62 8.161 23.407 -10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.181 25.271 -9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.755 25.153 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.568 26.401 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.970 24.670 -8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.196 25.690 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.826 23.951 -9.954 1.00 0.00 H new ATOM 659 N LYS A 63 9.148 23.745 -13.606 1.00 0.00 N ATOM 660 CA LYS A 63 10.204 23.818 -14.626 1.00 0.00 C ATOM 661 C LYS A 63 9.695 23.489 -16.047 1.00 0.00 C ATOM 662 O LYS A 63 10.434 23.684 -17.010 1.00 0.00 O ATOM 663 CB LYS A 63 11.406 22.975 -14.156 1.00 0.00 C ATOM 664 CG LYS A 63 12.051 23.426 -12.830 1.00 0.00 C ATOM 665 CD LYS A 63 12.575 24.872 -12.792 1.00 0.00 C ATOM 666 CE LYS A 63 13.648 25.128 -13.861 1.00 0.00 C ATOM 667 NZ LYS A 63 14.211 26.503 -13.759 1.00 0.00 N ATOM 0 H LYS A 63 9.066 22.819 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 63 10.545 24.848 -14.726 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.083 21.940 -14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.168 22.993 -14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.318 23.305 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.880 22.754 -12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.744 25.562 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.990 25.081 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.450 24.398 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.216 24.984 -14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.932 26.639 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.450 27.200 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.645 26.632 -12.823 1.00 0.00 H new ATOM 681 N GLN A 64 8.425 23.076 -16.192 1.00 0.00 N ATOM 682 CA GLN A 64 7.687 22.922 -17.457 1.00 0.00 C ATOM 683 C GLN A 64 8.221 21.791 -18.350 1.00 0.00 C ATOM 684 O GLN A 64 8.380 21.938 -19.563 1.00 0.00 O ATOM 685 CB GLN A 64 7.487 24.274 -18.173 1.00 0.00 C ATOM 686 CG GLN A 64 6.834 25.321 -17.259 1.00 0.00 C ATOM 687 CD GLN A 64 6.523 26.617 -18.006 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.404 26.869 -18.437 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.494 27.488 -18.203 1.00 0.00 N ATOM 0 H GLN A 64 7.854 22.827 -15.385 1.00 0.00 H new ATOM 0 HA GLN A 64 6.685 22.581 -17.198 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.451 24.646 -18.519 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.866 24.127 -19.057 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.914 24.914 -16.841 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.497 25.535 -16.421 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.432 27.295 -17.851 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.307 28.355 -18.707 1.00 0.00 H new ATOM 698 N LEU A 65 8.469 20.632 -17.730 1.00 0.00 N ATOM 699 CA LEU A 65 8.957 19.414 -18.384 1.00 0.00 C ATOM 700 C LEU A 65 7.808 18.489 -18.810 1.00 0.00 C ATOM 701 O LEU A 65 7.818 17.298 -18.519 1.00 0.00 O ATOM 702 CB LEU A 65 9.984 18.695 -17.490 1.00 0.00 C ATOM 703 CG LEU A 65 11.321 19.400 -17.188 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.802 20.374 -18.267 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.239 20.112 -15.850 1.00 0.00 C ATOM 0 H LEU A 65 8.331 20.513 -16.726 1.00 0.00 H new ATOM 0 HA LEU A 65 9.465 19.707 -19.303 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.500 18.480 -16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.213 17.736 -17.954 1.00 0.00 H new ATOM 0 HG LEU A 65 12.066 18.605 -17.164 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.749 20.818 -17.961 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.939 19.838 -19.206 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.060 21.161 -18.404 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.187 20.608 -15.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.441 20.854 -15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.030 19.386 -15.064 1.00 0.00 H new ATOM 717 N TYR A 66 6.785 19.021 -19.470 1.00 0.00 N ATOM 718 CA TYR A 66 5.655 18.244 -20.000 1.00 0.00 C ATOM 719 C TYR A 66 5.077 18.855 -21.295 1.00 0.00 C ATOM 720 O TYR A 66 5.396 19.994 -21.647 1.00 0.00 O ATOM 721 CB TYR A 66 4.571 18.135 -18.912 1.00 0.00 C ATOM 722 CG TYR A 66 3.818 19.427 -18.623 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.433 20.473 -17.902 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.490 19.576 -19.069 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.726 21.663 -17.632 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.782 20.764 -18.805 1.00 0.00 C ATOM 727 CZ TYR A 66 2.397 21.811 -18.087 1.00 0.00 C ATOM 728 OH TYR A 66 1.700 22.955 -17.835 1.00 0.00 O ATOM 0 H TYR A 66 6.710 20.021 -19.658 1.00 0.00 H new ATOM 0 HA TYR A 66 6.016 17.250 -20.266 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.852 17.372 -19.211 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.037 17.789 -17.989 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.450 20.362 -17.555 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.013 18.776 -19.616 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.200 22.460 -17.078 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.766 20.874 -19.153 1.00 0.00 H new ATOM 0 HH TYR A 66 0.803 22.883 -18.222 1.00 0.00 H new ATOM 738 N ASP A 67 4.218 18.113 -22.005 1.00 0.00 N ATOM 739 CA ASP A 67 3.500 18.606 -23.195 1.00 0.00 C ATOM 740 C ASP A 67 2.088 19.117 -22.853 1.00 0.00 C ATOM 741 O ASP A 67 1.349 18.472 -22.109 1.00 0.00 O ATOM 742 CB ASP A 67 3.424 17.508 -24.259 1.00 0.00 C ATOM 743 CG ASP A 67 2.884 18.066 -25.582 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.644 18.121 -25.738 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.695 18.492 -26.439 1.00 0.00 O ATOM 0 H ASP A 67 3.998 17.145 -21.771 1.00 0.00 H new ATOM 0 HA ASP A 67 4.064 19.452 -23.588 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.414 17.080 -24.417 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.780 16.701 -23.910 1.00 0.00 H new ATOM 750 N GLN A 68 1.682 20.260 -23.419 1.00 0.00 N ATOM 751 CA GLN A 68 0.390 20.886 -23.125 1.00 0.00 C ATOM 752 C GLN A 68 -0.852 20.146 -23.658 1.00 0.00 C ATOM 753 O GLN A 68 -1.954 20.381 -23.156 1.00 0.00 O ATOM 754 CB GLN A 68 0.435 22.356 -23.576 1.00 0.00 C ATOM 755 CG GLN A 68 0.428 22.549 -25.106 1.00 0.00 C ATOM 756 CD GLN A 68 0.494 24.017 -25.542 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.526 24.954 -24.752 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.516 24.282 -26.833 1.00 0.00 N ATOM 0 H GLN A 68 2.243 20.777 -24.096 1.00 0.00 H new ATOM 0 HA GLN A 68 0.255 20.824 -22.045 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.421 22.881 -23.151 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.331 22.823 -23.166 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.275 22.013 -25.535 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.475 22.098 -25.516 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.490 23.520 -27.511 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.559 25.249 -27.154 1.00 0.00 H new ATOM 767 N GLN A 69 -0.695 19.250 -24.636 1.00 0.00 N ATOM 768 CA GLN A 69 -1.759 18.396 -25.183 1.00 0.00 C ATOM 769 C GLN A 69 -1.608 16.938 -24.720 1.00 0.00 C ATOM 770 O GLN A 69 -2.606 16.259 -24.475 1.00 0.00 O ATOM 771 CB GLN A 69 -1.752 18.531 -26.716 1.00 0.00 C ATOM 772 CG GLN A 69 -2.945 17.849 -27.407 1.00 0.00 C ATOM 773 CD GLN A 69 -2.624 16.471 -27.990 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.226 16.330 -29.140 1.00 0.00 O ATOM 775 NE2 GLN A 69 -2.792 15.401 -27.241 1.00 0.00 N ATOM 0 H GLN A 69 0.207 19.092 -25.086 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.727 18.724 -24.805 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.749 19.589 -26.978 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.827 18.104 -27.104 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.758 17.747 -26.688 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.306 18.495 -28.207 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.123 15.497 -26.281 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.591 14.476 -27.621 1.00 0.00 H new ATOM 784 N GLU A 70 -0.374 16.462 -24.550 1.00 0.00 N ATOM 785 CA GLU A 70 -0.042 15.140 -23.994 1.00 0.00 C ATOM 786 C GLU A 70 0.352 15.281 -22.517 1.00 0.00 C ATOM 787 O GLU A 70 1.473 14.981 -22.115 1.00 0.00 O ATOM 788 CB GLU A 70 0.996 14.405 -24.866 1.00 0.00 C ATOM 789 CG GLU A 70 0.442 14.073 -26.257 1.00 0.00 C ATOM 790 CD GLU A 70 1.424 13.187 -27.047 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.349 11.939 -26.928 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.265 13.725 -27.809 1.00 0.00 O ATOM 0 H GLU A 70 0.454 17.001 -24.803 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.923 14.498 -24.018 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.887 15.024 -24.968 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.302 13.485 -24.368 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.516 13.562 -26.158 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.256 14.995 -26.807 1.00 0.00 H new ATOM 799 N GLN A 71 -0.582 15.773 -21.693 1.00 0.00 N ATOM 800 CA GLN A 71 -0.315 16.147 -20.295 1.00 0.00 C ATOM 801 C GLN A 71 0.032 14.942 -19.400 1.00 0.00 C ATOM 802 O GLN A 71 0.684 15.103 -18.371 1.00 0.00 O ATOM 803 CB GLN A 71 -1.512 16.931 -19.728 1.00 0.00 C ATOM 804 CG GLN A 71 -1.756 18.254 -20.481 1.00 0.00 C ATOM 805 CD GLN A 71 -2.929 19.073 -19.937 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.492 18.821 -18.878 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.346 20.099 -20.649 1.00 0.00 N ATOM 0 H GLN A 71 -1.550 15.924 -21.977 1.00 0.00 H new ATOM 0 HA GLN A 71 0.570 16.783 -20.294 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.408 16.313 -19.785 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.338 17.143 -18.673 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.851 18.859 -20.434 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.937 18.033 -21.533 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.890 20.325 -21.533 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.125 20.668 -20.316 1.00 0.00 H new ATOM 816 N HIS A 72 -0.349 13.725 -19.805 1.00 0.00 N ATOM 817 CA HIS A 72 0.075 12.459 -19.189 1.00 0.00 C ATOM 818 C HIS A 72 1.553 12.113 -19.455 1.00 0.00 C ATOM 819 O HIS A 72 2.090 11.203 -18.823 1.00 0.00 O ATOM 820 CB HIS A 72 -0.829 11.343 -19.733 1.00 0.00 C ATOM 821 CG HIS A 72 -0.714 11.175 -21.232 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.409 11.919 -22.192 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.152 10.335 -21.868 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.962 11.487 -23.385 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.021 10.542 -23.220 1.00 0.00 N ATOM 0 H HIS A 72 -0.980 13.588 -20.594 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.019 12.562 -18.108 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.571 10.403 -19.246 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.865 11.562 -19.475 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.839 9.643 -21.403 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.310 11.849 -24.341 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.479 10.060 -23.967 1.00 0.00 H new ATOM 833 N MET A 73 2.204 12.809 -20.392 1.00 0.00 N ATOM 834 CA MET A 73 3.565 12.563 -20.863 1.00 0.00 C ATOM 835 C MET A 73 4.536 13.633 -20.339 1.00 0.00 C ATOM 836 O MET A 73 4.286 14.838 -20.435 1.00 0.00 O ATOM 837 CB MET A 73 3.554 12.502 -22.400 1.00 0.00 C ATOM 838 CG MET A 73 4.827 11.903 -22.957 1.00 0.00 C ATOM 839 SD MET A 73 4.995 10.141 -22.618 1.00 0.00 S ATOM 840 CE MET A 73 6.704 10.075 -23.145 1.00 0.00 C ATOM 0 H MET A 73 1.770 13.601 -20.866 1.00 0.00 H new ATOM 0 HA MET A 73 3.920 11.609 -20.474 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.701 11.911 -22.732 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.421 13.507 -22.801 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.854 12.062 -24.035 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.683 12.430 -22.535 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.948 9.061 -23.462 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.855 10.762 -23.978 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.352 10.361 -22.316 1.00 0.00 H new ATOM 850 N VAL A 74 5.671 13.189 -19.798 1.00 0.00 N ATOM 851 CA VAL A 74 6.736 14.031 -19.245 1.00 0.00 C ATOM 852 C VAL A 74 7.850 14.152 -20.283 1.00 0.00 C ATOM 853 O VAL A 74 8.206 13.179 -20.947 1.00 0.00 O ATOM 854 CB VAL A 74 7.223 13.454 -17.898 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.428 14.211 -17.332 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.095 13.516 -16.857 1.00 0.00 C ATOM 0 H VAL A 74 5.883 12.194 -19.730 1.00 0.00 H new ATOM 0 HA VAL A 74 6.368 15.035 -19.032 1.00 0.00 H new ATOM 0 HB VAL A 74 7.521 12.424 -18.096 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.727 13.762 -16.385 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.257 14.156 -18.038 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.159 15.255 -17.170 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.450 13.106 -15.911 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.790 14.552 -16.712 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.243 12.933 -17.208 1.00 0.00 H new ATOM 866 N TYR A 75 8.397 15.359 -20.401 1.00 0.00 N ATOM 867 CA TYR A 75 9.414 15.785 -21.360 1.00 0.00 C ATOM 868 C TYR A 75 10.502 16.611 -20.661 1.00 0.00 C ATOM 869 O TYR A 75 10.659 17.815 -20.852 1.00 0.00 O ATOM 870 CB TYR A 75 8.745 16.512 -22.535 1.00 0.00 C ATOM 871 CG TYR A 75 8.124 15.531 -23.503 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.966 14.628 -24.177 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.731 15.479 -23.693 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.420 13.672 -25.050 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.182 14.538 -24.586 1.00 0.00 C ATOM 876 CZ TYR A 75 7.025 13.631 -25.268 1.00 0.00 C ATOM 877 OH TYR A 75 6.486 12.720 -26.126 1.00 0.00 O ATOM 0 H TYR A 75 8.121 16.122 -19.783 1.00 0.00 H new ATOM 0 HA TYR A 75 9.924 14.917 -21.778 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.979 17.189 -22.158 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.483 17.123 -23.055 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.034 14.670 -24.023 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.085 16.158 -23.156 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.067 12.969 -25.554 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.115 14.509 -24.750 1.00 0.00 H new ATOM 0 HH TYR A 75 5.513 12.833 -26.154 1.00 0.00 H new ATOM 887 N CYS A 76 11.285 15.910 -19.848 1.00 0.00 N ATOM 888 CA CYS A 76 12.530 16.369 -19.208 1.00 0.00 C ATOM 889 C CYS A 76 13.729 16.452 -20.186 1.00 0.00 C ATOM 890 O CYS A 76 14.868 16.226 -19.775 1.00 0.00 O ATOM 891 CB CYS A 76 12.835 15.470 -17.991 1.00 0.00 C ATOM 892 SG CYS A 76 11.646 15.698 -16.637 1.00 0.00 S ATOM 0 H CYS A 76 11.061 14.947 -19.598 1.00 0.00 H new ATOM 0 HA CYS A 76 12.376 17.394 -18.870 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.827 14.426 -18.304 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.840 15.686 -17.627 1.00 0.00 H new ATOM 0 HG CYS A 76 11.958 14.913 -15.649 1.00 0.00 H new ATOM 898 N GLY A 77 13.486 16.765 -21.468 1.00 0.00 N ATOM 899 CA GLY A 77 14.435 16.780 -22.600 1.00 0.00 C ATOM 900 C GLY A 77 15.515 17.868 -22.539 1.00 0.00 C ATOM 901 O GLY A 77 15.614 18.719 -23.426 1.00 0.00 O ATOM 0 H GLY A 77 12.549 17.036 -21.767 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.925 15.808 -22.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.870 16.904 -23.524 1.00 0.00 H new ATOM 905 N GLY A 78 16.306 17.834 -21.469 1.00 0.00 N ATOM 906 CA GLY A 78 17.379 18.774 -21.130 1.00 0.00 C ATOM 907 C GLY A 78 17.463 19.097 -19.630 1.00 0.00 C ATOM 908 O GLY A 78 18.241 19.971 -19.245 1.00 0.00 O ATOM 0 H GLY A 78 16.210 17.101 -20.767 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.332 18.358 -21.457 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.228 19.700 -21.685 1.00 0.00 H new ATOM 912 N ASP A 79 16.659 18.441 -18.779 1.00 0.00 N ATOM 913 CA ASP A 79 16.536 18.777 -17.357 1.00 0.00 C ATOM 914 C ASP A 79 17.371 17.875 -16.439 1.00 0.00 C ATOM 915 O ASP A 79 17.506 16.676 -16.691 1.00 0.00 O ATOM 916 CB ASP A 79 15.067 18.719 -16.939 1.00 0.00 C ATOM 917 CG ASP A 79 14.887 19.449 -15.602 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.907 20.703 -15.598 1.00 0.00 O ATOM 919 OD2 ASP A 79 14.815 18.756 -14.565 1.00 0.00 O ATOM 0 H ASP A 79 16.072 17.657 -19.063 1.00 0.00 H new ATOM 0 HA ASP A 79 16.929 19.787 -17.241 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.442 19.179 -17.704 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.745 17.682 -16.846 1.00 0.00 H new ATOM 924 N LEU A 80 17.847 18.432 -15.318 1.00 0.00 N ATOM 925 CA LEU A 80 18.561 17.685 -14.280 1.00 0.00 C ATOM 926 C LEU A 80 17.764 16.473 -13.776 1.00 0.00 C ATOM 927 O LEU A 80 18.357 15.412 -13.610 1.00 0.00 O ATOM 928 CB LEU A 80 18.909 18.615 -13.102 1.00 0.00 C ATOM 929 CG LEU A 80 19.903 19.747 -13.426 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.121 20.605 -12.179 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.265 19.221 -13.886 1.00 0.00 C ATOM 0 H LEU A 80 17.745 19.425 -15.106 1.00 0.00 H new ATOM 0 HA LEU A 80 19.477 17.304 -14.731 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.987 19.060 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.323 18.011 -12.294 1.00 0.00 H new ATOM 0 HG LEU A 80 19.468 20.327 -14.240 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.824 21.406 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.171 21.035 -11.863 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.524 19.986 -11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.926 20.061 -14.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.703 18.607 -13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.138 18.620 -14.786 1.00 0.00 H new ATOM 943 N LEU A 81 16.440 16.568 -13.601 1.00 0.00 N ATOM 944 CA LEU A 81 15.623 15.418 -13.195 1.00 0.00 C ATOM 945 C LEU A 81 15.662 14.301 -14.251 1.00 0.00 C ATOM 946 O LEU A 81 15.874 13.147 -13.895 1.00 0.00 O ATOM 947 CB LEU A 81 14.190 15.888 -12.874 1.00 0.00 C ATOM 948 CG LEU A 81 13.194 14.765 -12.523 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.634 13.904 -11.336 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.834 15.377 -12.189 1.00 0.00 C ATOM 0 H LEU A 81 15.912 17.430 -13.734 1.00 0.00 H new ATOM 0 HA LEU A 81 16.041 14.983 -12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.233 16.588 -12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.805 16.439 -13.732 1.00 0.00 H new ATOM 0 HG LEU A 81 13.144 14.118 -13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.885 13.135 -11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.590 13.432 -11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.741 14.532 -10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.129 14.584 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.937 16.050 -11.338 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.465 15.934 -13.050 1.00 0.00 H new ATOM 962 N GLY A 82 15.530 14.621 -15.543 1.00 0.00 N ATOM 963 CA GLY A 82 15.606 13.613 -16.616 1.00 0.00 C ATOM 964 C GLY A 82 16.984 12.942 -16.713 1.00 0.00 C ATOM 965 O GLY A 82 17.085 11.722 -16.866 1.00 0.00 O ATOM 0 H GLY A 82 15.369 15.572 -15.876 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.848 12.849 -16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.371 14.087 -17.569 1.00 0.00 H new ATOM 969 N GLU A 83 18.055 13.726 -16.590 1.00 0.00 N ATOM 970 CA GLU A 83 19.447 13.243 -16.593 1.00 0.00 C ATOM 971 C GLU A 83 19.727 12.301 -15.415 1.00 0.00 C ATOM 972 O GLU A 83 20.232 11.192 -15.597 1.00 0.00 O ATOM 973 CB GLU A 83 20.404 14.437 -16.470 1.00 0.00 C ATOM 974 CG GLU A 83 20.383 15.398 -17.655 1.00 0.00 C ATOM 975 CD GLU A 83 21.352 14.957 -18.768 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.998 14.055 -19.566 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.478 15.507 -18.855 1.00 0.00 O ATOM 0 H GLU A 83 17.984 14.738 -16.483 1.00 0.00 H new ATOM 0 HA GLU A 83 19.600 12.703 -17.527 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.156 14.992 -15.565 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.419 14.060 -16.344 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.371 15.457 -18.057 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.651 16.399 -17.316 1.00 0.00 H new ATOM 984 N LEU A 84 19.376 12.749 -14.206 1.00 0.00 N ATOM 985 CA LEU A 84 19.615 12.028 -12.951 1.00 0.00 C ATOM 986 C LEU A 84 18.710 10.793 -12.787 1.00 0.00 C ATOM 987 O LEU A 84 19.160 9.788 -12.230 1.00 0.00 O ATOM 988 CB LEU A 84 19.450 13.006 -11.774 1.00 0.00 C ATOM 989 CG LEU A 84 20.671 13.899 -11.453 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.457 14.477 -12.634 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.209 15.074 -10.593 1.00 0.00 C ATOM 0 H LEU A 84 18.907 13.644 -14.069 1.00 0.00 H new ATOM 0 HA LEU A 84 20.634 11.642 -12.970 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.598 13.653 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.202 12.430 -10.882 1.00 0.00 H new ATOM 0 HG LEU A 84 21.363 13.219 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.284 15.081 -12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.849 13.663 -13.243 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.798 15.099 -13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.062 15.712 -10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.462 15.652 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.773 14.698 -9.667 1.00 0.00 H new ATOM 1003 N LEU A 85 17.472 10.824 -13.302 1.00 0.00 N ATOM 1004 CA LEU A 85 16.609 9.635 -13.368 1.00 0.00 C ATOM 1005 C LEU A 85 17.060 8.664 -14.470 1.00 0.00 C ATOM 1006 O LEU A 85 16.901 7.452 -14.325 1.00 0.00 O ATOM 1007 CB LEU A 85 15.122 10.048 -13.431 1.00 0.00 C ATOM 1008 CG LEU A 85 14.405 10.111 -14.793 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.822 8.753 -15.201 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.216 11.067 -14.721 1.00 0.00 C ATOM 0 H LEU A 85 17.043 11.668 -13.682 1.00 0.00 H new ATOM 0 HA LEU A 85 16.715 9.062 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.564 9.355 -12.801 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.038 11.033 -12.973 1.00 0.00 H new ATOM 0 HG LEU A 85 15.156 10.437 -15.513 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.326 8.845 -16.167 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.625 8.019 -15.274 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.100 8.427 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.718 11.102 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.513 10.717 -13.965 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.567 12.065 -14.457 1.00 0.00 H new ATOM 1022 N GLY A 86 17.656 9.189 -15.547 1.00 0.00 N ATOM 1023 CA GLY A 86 18.231 8.396 -16.640 1.00 0.00 C ATOM 1024 C GLY A 86 17.275 8.171 -17.814 1.00 0.00 C ATOM 1025 O GLY A 86 17.631 7.472 -18.765 1.00 0.00 O ATOM 0 H GLY A 86 17.754 10.195 -15.686 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.128 8.896 -17.006 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.543 7.428 -16.248 1.00 0.00 H new ATOM 1029 N ARG A 87 16.080 8.782 -17.777 1.00 0.00 N ATOM 1030 CA ARG A 87 15.139 8.844 -18.909 1.00 0.00 C ATOM 1031 C ARG A 87 14.594 10.266 -19.022 1.00 0.00 C ATOM 1032 O ARG A 87 14.031 10.792 -18.068 1.00 0.00 O ATOM 1033 CB ARG A 87 14.017 7.793 -18.732 1.00 0.00 C ATOM 1034 CG ARG A 87 13.663 7.053 -20.032 1.00 0.00 C ATOM 1035 CD ARG A 87 14.701 5.976 -20.375 1.00 0.00 C ATOM 1036 NE ARG A 87 14.347 5.265 -21.620 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.048 4.311 -22.211 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.182 3.884 -21.729 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.617 3.761 -23.310 1.00 0.00 N ATOM 0 H ARG A 87 15.733 9.256 -16.943 1.00 0.00 H new ATOM 0 HA ARG A 87 15.650 8.602 -19.841 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.326 7.066 -17.981 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.124 8.287 -18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.680 6.592 -19.932 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.597 7.769 -20.851 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.683 6.436 -20.483 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.772 5.262 -19.554 1.00 0.00 H new ATOM 0 HE ARG A 87 13.473 5.537 -22.070 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.555 4.287 -20.870 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.696 3.147 -22.211 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.734 4.065 -23.720 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.162 3.026 -23.760 1.00 0.00 H new ATOM 1053 N GLN A 88 14.765 10.899 -20.182 1.00 0.00 N ATOM 1054 CA GLN A 88 14.343 12.291 -20.402 1.00 0.00 C ATOM 1055 C GLN A 88 12.862 12.411 -20.812 1.00 0.00 C ATOM 1056 O GLN A 88 12.334 13.517 -20.894 1.00 0.00 O ATOM 1057 CB GLN A 88 15.297 12.983 -21.389 1.00 0.00 C ATOM 1058 CG GLN A 88 16.717 13.215 -20.833 1.00 0.00 C ATOM 1059 CD GLN A 88 17.609 11.970 -20.875 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.043 11.528 -21.930 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.898 11.325 -19.760 1.00 0.00 N ATOM 0 H GLN A 88 15.199 10.466 -20.997 1.00 0.00 H new ATOM 0 HA GLN A 88 14.410 12.816 -19.449 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.367 12.380 -22.294 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.870 13.943 -21.678 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.195 14.012 -21.403 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.641 13.562 -19.802 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.550 11.671 -18.866 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.470 10.481 -19.793 1.00 0.00 H new ATOM 1070 N SER A 89 12.167 11.291 -21.014 1.00 0.00 N ATOM 1071 CA SER A 89 10.716 11.237 -21.238 1.00 0.00 C ATOM 1072 C SER A 89 10.118 9.922 -20.728 1.00 0.00 C ATOM 1073 O SER A 89 10.736 8.857 -20.821 1.00 0.00 O ATOM 1074 CB SER A 89 10.388 11.469 -22.721 1.00 0.00 C ATOM 1075 OG SER A 89 10.990 10.486 -23.554 1.00 0.00 O ATOM 0 H SER A 89 12.606 10.371 -21.027 1.00 0.00 H new ATOM 0 HA SER A 89 10.256 12.041 -20.663 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.307 11.452 -22.861 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.733 12.459 -23.019 1.00 0.00 H new ATOM 0 HG SER A 89 10.759 10.664 -24.490 1.00 0.00 H new ATOM 1081 N PHE A 90 8.923 10.011 -20.141 1.00 0.00 N ATOM 1082 CA PHE A 90 8.154 8.887 -19.593 1.00 0.00 C ATOM 1083 C PHE A 90 6.670 9.268 -19.464 1.00 0.00 C ATOM 1084 O PHE A 90 6.323 10.448 -19.519 1.00 0.00 O ATOM 1085 CB PHE A 90 8.741 8.447 -18.235 1.00 0.00 C ATOM 1086 CG PHE A 90 8.720 9.491 -17.131 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.606 9.579 -16.271 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.815 10.362 -16.946 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.579 10.540 -15.246 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.783 11.323 -15.919 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.667 11.412 -15.071 1.00 0.00 C ATOM 0 H PHE A 90 8.443 10.904 -20.029 1.00 0.00 H new ATOM 0 HA PHE A 90 8.225 8.042 -20.278 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.191 7.571 -17.890 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.773 8.134 -18.392 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.771 8.906 -16.400 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.677 10.291 -17.593 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.722 10.608 -14.593 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.618 11.994 -15.782 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.645 12.151 -14.284 1.00 0.00 H new ATOM 1101 N SER A 91 5.790 8.280 -19.285 1.00 0.00 N ATOM 1102 CA SER A 91 4.341 8.487 -19.154 1.00 0.00 C ATOM 1103 C SER A 91 3.832 8.134 -17.761 1.00 0.00 C ATOM 1104 O SER A 91 4.287 7.177 -17.136 1.00 0.00 O ATOM 1105 CB SER A 91 3.604 7.667 -20.211 1.00 0.00 C ATOM 1106 OG SER A 91 2.201 7.826 -20.077 1.00 0.00 O ATOM 0 H SER A 91 6.065 7.300 -19.226 1.00 0.00 H new ATOM 0 HA SER A 91 4.143 9.548 -19.309 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.918 7.981 -21.207 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.867 6.614 -20.111 1.00 0.00 H new ATOM 0 HG SER A 91 1.745 7.295 -20.763 1.00 0.00 H new ATOM 1112 N VAL A 92 2.814 8.860 -17.306 1.00 0.00 N ATOM 1113 CA VAL A 92 2.039 8.539 -16.099 1.00 0.00 C ATOM 1114 C VAL A 92 1.225 7.246 -16.301 1.00 0.00 C ATOM 1115 O VAL A 92 0.954 6.527 -15.337 1.00 0.00 O ATOM 1116 CB VAL A 92 1.147 9.747 -15.747 1.00 0.00 C ATOM 1117 CG1 VAL A 92 0.160 9.446 -14.621 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.010 10.937 -15.303 1.00 0.00 C ATOM 0 H VAL A 92 2.494 9.708 -17.773 1.00 0.00 H new ATOM 0 HA VAL A 92 2.710 8.351 -15.261 1.00 0.00 H new ATOM 0 HB VAL A 92 0.587 9.980 -16.652 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.441 10.332 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.493 8.626 -14.919 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.708 9.164 -13.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.366 11.782 -15.058 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.592 10.657 -14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.686 11.218 -16.111 1.00 0.00 H new ATOM 1128 N LYS A 93 0.896 6.903 -17.558 1.00 0.00 N ATOM 1129 CA LYS A 93 0.227 5.647 -17.954 1.00 0.00 C ATOM 1130 C LYS A 93 1.205 4.476 -18.162 1.00 0.00 C ATOM 1131 O LYS A 93 0.771 3.327 -18.243 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.627 5.885 -19.216 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.699 6.975 -19.028 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.501 7.305 -20.300 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.403 6.163 -20.803 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.770 5.342 -21.875 1.00 0.00 N ATOM 0 H LYS A 93 1.094 7.510 -18.354 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.418 5.352 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.027 6.167 -20.041 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.113 4.951 -19.499 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.392 6.656 -18.249 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.216 7.885 -18.672 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.120 8.181 -20.106 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.804 7.576 -21.093 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.661 5.517 -19.964 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.335 6.584 -21.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.426 4.591 -22.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.547 5.948 -22.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.894 4.913 -21.513 1.00 0.00 H new ATOM 1150 N ASP A 94 2.511 4.751 -18.229 1.00 0.00 N ATOM 1151 CA ASP A 94 3.589 3.753 -18.327 1.00 0.00 C ATOM 1152 C ASP A 94 4.837 4.178 -17.508 1.00 0.00 C ATOM 1153 O ASP A 94 5.876 4.527 -18.082 1.00 0.00 O ATOM 1154 CB ASP A 94 3.906 3.481 -19.809 1.00 0.00 C ATOM 1155 CG ASP A 94 4.957 2.370 -20.003 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.068 1.463 -19.142 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.658 2.381 -21.044 1.00 0.00 O ATOM 0 H ASP A 94 2.863 5.708 -18.216 1.00 0.00 H new ATOM 0 HA ASP A 94 3.253 2.816 -17.882 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.988 3.201 -20.326 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.265 4.399 -20.273 1.00 0.00 H new ATOM 1162 N PRO A 95 4.757 4.169 -16.160 1.00 0.00 N ATOM 1163 CA PRO A 95 5.810 4.636 -15.242 1.00 0.00 C ATOM 1164 C PRO A 95 6.995 3.653 -15.098 1.00 0.00 C ATOM 1165 O PRO A 95 7.623 3.578 -14.043 1.00 0.00 O ATOM 1166 CB PRO A 95 5.069 4.910 -13.923 1.00 0.00 C ATOM 1167 CG PRO A 95 3.971 3.851 -13.928 1.00 0.00 C ATOM 1168 CD PRO A 95 3.566 3.812 -15.396 1.00 0.00 C ATOM 0 HA PRO A 95 6.307 5.530 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.727 4.807 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.658 5.919 -13.892 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.336 2.884 -13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.137 4.127 -13.283 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.208 2.821 -15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.753 4.511 -15.594 1.00 0.00 H new ATOM 1176 N SER A 96 7.335 2.896 -16.144 1.00 0.00 N ATOM 1177 CA SER A 96 8.385 1.863 -16.111 1.00 0.00 C ATOM 1178 C SER A 96 9.779 2.417 -15.740 1.00 0.00 C ATOM 1179 O SER A 96 10.348 1.956 -14.743 1.00 0.00 O ATOM 1180 CB SER A 96 8.396 1.079 -17.430 1.00 0.00 C ATOM 1181 OG SER A 96 9.388 0.064 -17.401 1.00 0.00 O ATOM 0 H SER A 96 6.884 2.981 -17.055 1.00 0.00 H new ATOM 0 HA SER A 96 8.138 1.173 -15.304 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.417 0.633 -17.602 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.587 1.758 -18.261 1.00 0.00 H new ATOM 0 HG SER A 96 9.379 -0.426 -18.249 1.00 0.00 H new ATOM 1187 N PRO A 97 10.317 3.460 -16.417 1.00 0.00 N ATOM 1188 CA PRO A 97 11.565 4.110 -15.993 1.00 0.00 C ATOM 1189 C PRO A 97 11.417 4.899 -14.678 1.00 0.00 C ATOM 1190 O PRO A 97 12.413 5.148 -14.002 1.00 0.00 O ATOM 1191 CB PRO A 97 11.961 5.027 -17.155 1.00 0.00 C ATOM 1192 CG PRO A 97 10.616 5.389 -17.776 1.00 0.00 C ATOM 1193 CD PRO A 97 9.832 4.088 -17.643 1.00 0.00 C ATOM 0 HA PRO A 97 12.331 3.365 -15.777 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.497 5.911 -16.808 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.611 4.519 -17.867 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.132 6.210 -17.247 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.719 5.697 -18.817 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.761 4.280 -17.587 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.996 3.442 -18.505 1.00 0.00 H new ATOM 1201 N LEU A 98 10.193 5.277 -14.284 1.00 0.00 N ATOM 1202 CA LEU A 98 9.935 6.020 -13.047 1.00 0.00 C ATOM 1203 C LEU A 98 10.121 5.121 -11.816 1.00 0.00 C ATOM 1204 O LEU A 98 10.907 5.458 -10.935 1.00 0.00 O ATOM 1205 CB LEU A 98 8.537 6.666 -13.120 1.00 0.00 C ATOM 1206 CG LEU A 98 8.202 7.623 -11.963 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.124 8.841 -11.948 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.760 8.106 -12.123 1.00 0.00 C ATOM 0 H LEU A 98 9.349 5.073 -14.820 1.00 0.00 H new ATOM 0 HA LEU A 98 10.663 6.824 -12.940 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.454 7.213 -14.059 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.788 5.874 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 98 8.337 7.080 -11.027 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.854 9.491 -11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.157 8.514 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.019 9.388 -12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.511 8.785 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.654 8.627 -13.075 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.085 7.250 -12.101 1.00 0.00 H new ATOM 1220 N TYR A 99 9.496 3.940 -11.775 1.00 0.00 N ATOM 1221 CA TYR A 99 9.760 2.962 -10.708 1.00 0.00 C ATOM 1222 C TYR A 99 11.224 2.514 -10.685 1.00 0.00 C ATOM 1223 O TYR A 99 11.803 2.373 -9.608 1.00 0.00 O ATOM 1224 CB TYR A 99 8.835 1.748 -10.844 1.00 0.00 C ATOM 1225 CG TYR A 99 7.450 2.001 -10.279 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.259 1.990 -8.882 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.365 2.281 -11.132 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.989 2.262 -8.337 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.096 2.561 -10.590 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.903 2.551 -9.192 1.00 0.00 C ATOM 1231 OH TYR A 99 3.669 2.821 -8.680 1.00 0.00 O ATOM 0 H TYR A 99 8.807 3.637 -12.463 1.00 0.00 H new ATOM 0 HA TYR A 99 9.555 3.460 -9.761 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.750 1.477 -11.896 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.282 0.896 -10.331 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.090 1.772 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.506 2.281 -12.203 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.846 2.250 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.268 2.784 -11.246 1.00 0.00 H new ATOM 0 HH TYR A 99 3.043 2.998 -9.412 1.00 0.00 H new ATOM 1241 N ASP A 100 11.845 2.357 -11.857 1.00 0.00 N ATOM 1242 CA ASP A 100 13.258 1.994 -11.973 1.00 0.00 C ATOM 1243 C ASP A 100 14.189 3.049 -11.357 1.00 0.00 C ATOM 1244 O ASP A 100 15.124 2.696 -10.637 1.00 0.00 O ATOM 1245 CB ASP A 100 13.588 1.786 -13.455 1.00 0.00 C ATOM 1246 CG ASP A 100 14.966 1.144 -13.664 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.158 -0.029 -13.266 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.869 1.805 -14.231 1.00 0.00 O ATOM 0 H ASP A 100 11.379 2.479 -12.756 1.00 0.00 H new ATOM 0 HA ASP A 100 13.424 1.074 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.824 1.155 -13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.556 2.746 -13.970 1.00 0.00 H new ATOM 1253 N MET A 101 13.903 4.339 -11.572 1.00 0.00 N ATOM 1254 CA MET A 101 14.645 5.428 -10.920 1.00 0.00 C ATOM 1255 C MET A 101 14.412 5.431 -9.405 1.00 0.00 C ATOM 1256 O MET A 101 15.378 5.437 -8.647 1.00 0.00 O ATOM 1257 CB MET A 101 14.385 6.796 -11.592 1.00 0.00 C ATOM 1258 CG MET A 101 13.357 7.737 -10.941 1.00 0.00 C ATOM 1259 SD MET A 101 13.978 8.720 -9.551 1.00 0.00 S ATOM 1260 CE MET A 101 12.591 9.878 -9.429 1.00 0.00 C ATOM 0 H MET A 101 13.160 4.656 -12.195 1.00 0.00 H new ATOM 0 HA MET A 101 15.709 5.240 -11.062 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.335 7.327 -11.647 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.064 6.609 -12.617 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.977 8.416 -11.704 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.512 7.142 -10.595 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.742 10.538 -8.574 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.532 10.473 -10.341 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.663 9.322 -9.298 1.00 0.00 H new ATOM 1270 N LEU A 102 13.157 5.359 -8.948 1.00 0.00 N ATOM 1271 CA LEU A 102 12.790 5.445 -7.531 1.00 0.00 C ATOM 1272 C LEU A 102 13.503 4.337 -6.747 1.00 0.00 C ATOM 1273 O LEU A 102 14.310 4.644 -5.872 1.00 0.00 O ATOM 1274 CB LEU A 102 11.251 5.375 -7.387 1.00 0.00 C ATOM 1275 CG LEU A 102 10.473 6.590 -7.941 1.00 0.00 C ATOM 1276 CD1 LEU A 102 8.983 6.260 -8.035 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.616 7.840 -7.077 1.00 0.00 C ATOM 0 H LEU A 102 12.353 5.237 -9.564 1.00 0.00 H new ATOM 0 HA LEU A 102 13.112 6.399 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.897 4.477 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.008 5.261 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 102 10.902 6.798 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.443 7.122 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.840 5.409 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.602 6.013 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.046 8.656 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.237 7.635 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.667 8.122 -7.017 1.00 0.00 H new ATOM 1289 N ARG A 103 13.329 3.072 -7.155 1.00 0.00 N ATOM 1290 CA ARG A 103 13.907 1.880 -6.500 1.00 0.00 C ATOM 1291 C ARG A 103 15.444 1.848 -6.472 1.00 0.00 C ATOM 1292 O ARG A 103 16.009 1.129 -5.645 1.00 0.00 O ATOM 1293 CB ARG A 103 13.363 0.615 -7.192 1.00 0.00 C ATOM 1294 CG ARG A 103 11.866 0.387 -6.916 1.00 0.00 C ATOM 1295 CD ARG A 103 11.344 -0.794 -7.742 1.00 0.00 C ATOM 1296 NE ARG A 103 9.915 -1.054 -7.473 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.164 -1.984 -8.040 1.00 0.00 C ATOM 1298 NH1 ARG A 103 9.633 -2.798 -8.945 1.00 0.00 N ATOM 1299 NH2 ARG A 103 7.913 -2.118 -7.705 1.00 0.00 N ATOM 0 H ARG A 103 12.767 2.838 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 103 13.601 1.922 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.522 0.697 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.928 -0.253 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.711 0.193 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.303 1.288 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.484 -0.587 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.927 -1.686 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 103 9.462 -0.457 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.608 -2.729 -9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.025 -3.503 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.505 -1.503 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.341 -2.838 -8.147 1.00 0.00 H new ATOM 1313 N LYS A 104 16.124 2.624 -7.333 1.00 0.00 N ATOM 1314 CA LYS A 104 17.596 2.776 -7.341 1.00 0.00 C ATOM 1315 C LYS A 104 18.091 4.078 -6.698 1.00 0.00 C ATOM 1316 O LYS A 104 19.294 4.227 -6.484 1.00 0.00 O ATOM 1317 CB LYS A 104 18.138 2.587 -8.769 1.00 0.00 C ATOM 1318 CG LYS A 104 18.061 1.107 -9.185 1.00 0.00 C ATOM 1319 CD LYS A 104 18.678 0.836 -10.565 1.00 0.00 C ATOM 1320 CE LYS A 104 17.820 1.461 -11.668 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.284 1.089 -13.029 1.00 0.00 N ATOM 0 H LYS A 104 15.662 3.174 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 104 18.000 1.989 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.563 3.197 -9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.171 2.932 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.573 0.499 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.018 0.792 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.687 1.245 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.763 -0.238 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.785 1.145 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.837 2.546 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.524 1.269 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.118 1.658 -13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.535 0.080 -13.046 1.00 0.00 H new ATOM 1335 N ASN A 105 17.186 5.000 -6.355 1.00 0.00 N ATOM 1336 CA ASN A 105 17.514 6.239 -5.643 1.00 0.00 C ATOM 1337 C ASN A 105 17.151 6.127 -4.159 1.00 0.00 C ATOM 1338 O ASN A 105 18.031 6.034 -3.304 1.00 0.00 O ATOM 1339 CB ASN A 105 16.811 7.425 -6.331 1.00 0.00 C ATOM 1340 CG ASN A 105 17.610 7.929 -7.514 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.392 8.861 -7.429 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.451 7.280 -8.634 1.00 0.00 N ATOM 0 H ASN A 105 16.193 4.906 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 105 18.589 6.413 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.819 7.119 -6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.671 8.233 -5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.986 7.549 -9.460 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.792 6.503 -8.684 1.00 0.00 H new ATOM 1349 N LEU A 106 15.851 6.140 -3.866 1.00 0.00 N ATOM 1350 CA LEU A 106 15.337 6.036 -2.494 1.00 0.00 C ATOM 1351 C LEU A 106 15.123 4.587 -2.037 1.00 0.00 C ATOM 1352 O LEU A 106 15.001 3.656 -2.837 1.00 0.00 O ATOM 1353 CB LEU A 106 14.142 6.980 -2.202 1.00 0.00 C ATOM 1354 CG LEU A 106 12.843 6.974 -3.029 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.068 7.702 -4.345 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.219 5.611 -3.299 1.00 0.00 C ATOM 0 H LEU A 106 15.120 6.223 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 106 16.136 6.413 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.850 6.798 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.533 7.996 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 106 12.117 7.488 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.146 7.695 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.363 8.732 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.856 7.201 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.311 5.737 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.926 4.990 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.973 5.130 -2.353 1.00 0.00 H new ATOM 1368 N VAL A 107 15.080 4.414 -0.716 1.00 0.00 N ATOM 1369 CA VAL A 107 14.686 3.138 -0.088 1.00 0.00 C ATOM 1370 C VAL A 107 13.204 2.864 -0.332 1.00 0.00 C ATOM 1371 O VAL A 107 12.393 3.791 -0.340 1.00 0.00 O ATOM 1372 CB VAL A 107 14.999 3.064 1.418 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.514 3.089 1.648 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.335 4.177 2.238 1.00 0.00 C ATOM 0 H VAL A 107 15.315 5.147 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 107 15.292 2.367 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 107 14.579 2.121 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.721 3.036 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.972 2.236 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.928 4.013 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.599 4.062 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.680 5.147 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.252 4.114 2.127 1.00 0.00 H new ATOM 1384 N THR A 108 12.847 1.594 -0.524 1.00 0.00 N ATOM 1385 CA THR A 108 11.492 1.164 -0.903 1.00 0.00 C ATOM 1386 C THR A 108 10.415 1.750 0.014 1.00 0.00 C ATOM 1387 O THR A 108 10.384 1.473 1.215 1.00 0.00 O ATOM 1388 CB THR A 108 11.397 -0.365 -0.860 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.384 -0.921 -1.709 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.030 -0.875 -1.351 1.00 0.00 C ATOM 0 H THR A 108 13.500 0.818 -0.420 1.00 0.00 H new ATOM 0 HA THR A 108 11.314 1.533 -1.913 1.00 0.00 H new ATOM 0 HB THR A 108 11.538 -0.665 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.326 -1.899 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.009 -1.964 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.241 -0.468 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.870 -0.554 -2.380 1.00 0.00 H new ATOM 1398 N LEU A 109 9.502 2.519 -0.583 1.00 0.00 N ATOM 1399 CA LEU A 109 8.274 3.032 0.026 1.00 0.00 C ATOM 1400 C LEU A 109 7.116 2.938 -0.976 1.00 0.00 C ATOM 1401 O LEU A 109 7.316 3.050 -2.188 1.00 0.00 O ATOM 1402 CB LEU A 109 8.462 4.493 0.472 1.00 0.00 C ATOM 1403 CG LEU A 109 9.382 4.727 1.679 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.388 6.221 1.990 1.00 0.00 C ATOM 1405 CD2 LEU A 109 8.888 4.029 2.948 1.00 0.00 C ATOM 0 H LEU A 109 9.605 2.816 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 109 8.042 2.427 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.855 5.060 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.481 4.908 0.705 1.00 0.00 H new ATOM 0 HG LEU A 109 10.363 4.331 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.036 6.412 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.758 6.771 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.375 6.548 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.579 4.231 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.898 4.404 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.835 2.954 2.775 1.00 0.00 H new ATOM 1417 N ALA A 110 5.904 2.747 -0.457 1.00 0.00 N ATOM 1418 CA ALA A 110 4.692 2.537 -1.244 1.00 0.00 C ATOM 1419 C ALA A 110 3.447 3.080 -0.511 1.00 0.00 C ATOM 1420 O ALA A 110 3.408 3.116 0.723 1.00 0.00 O ATOM 1421 CB ALA A 110 4.605 1.034 -1.543 1.00 0.00 C ATOM 0 H ALA A 110 5.735 2.734 0.549 1.00 0.00 H new ATOM 0 HA ALA A 110 4.730 3.091 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.710 0.831 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.486 0.723 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.556 0.479 -0.606 1.00 0.00 H new ATOM 1427 N THR A 111 2.438 3.531 -1.265 1.00 0.00 N ATOM 1428 CA THR A 111 1.222 4.185 -0.733 1.00 0.00 C ATOM 1429 C THR A 111 -0.022 3.912 -1.588 1.00 0.00 C ATOM 1430 O THR A 111 0.073 3.587 -2.781 1.00 0.00 O ATOM 1431 CB THR A 111 1.458 5.698 -0.550 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.378 6.291 0.145 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.684 6.478 -1.849 1.00 0.00 C ATOM 0 H THR A 111 2.437 3.453 -2.282 1.00 0.00 H new ATOM 0 HA THR A 111 1.022 3.743 0.243 1.00 0.00 H new ATOM 0 HB THR A 111 2.384 5.761 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.546 7.250 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.841 7.532 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.562 6.084 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.811 6.374 -2.493 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.360 12.105 -10.908 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.938 13.077 -10.655 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.444 10.855 -9.656 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.827 13.073 -13.056 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.223 12.641 -11.953 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.978 13.193 -9.731 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.733 10.043 -10.760 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.913 10.470 -8.396 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.927 12.225 -13.263 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.327 13.795 -14.155 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.527 12.295 -12.310 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.277 12.841 -10.086 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.639 9.290 -8.235 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.479 8.877 -10.599 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.539 12.129 -14.509 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.956 13.692 -15.401 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.551 12.388 -11.371 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.926 8.489 -9.339 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -2.062 12.874 -15.574 1.00 0.00 C HETATM 1461 CL 48L A 200 7.167 11.943 -11.785 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.142 13.924 -17.504 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.107 15.088 -14.677 1.00 0.00 C HETATM 1464 CM3 48L A 200 1.105 16.391 -15.544 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.273 18.510 -12.318 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.495 18.067 -12.001 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.173 19.556 -12.931 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.721 16.827 -11.258 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.287 16.199 -11.631 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.699 15.740 -11.641 1.00 0.00 C HETATM 1471 N3 48L A 200 0.704 14.083 -11.229 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.665 12.749 -16.805 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.080 17.657 -11.901 1.00 0.00 C HETATM 1474 C5 48L A 200 0.799 15.432 -11.312 1.00 0.00 C HETATM 1475 O5 48L A 200 1.845 15.985 -11.021 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.241 13.120 -11.677 1.00 0.00 C HETATM 1477 O6 48L A 200 0.864 14.488 -14.037 1.00 0.00 O HETATM 1478 C7 48L A 200 0.655 12.157 -9.824 1.00 0.00 C HETATM 1479 C8 48L A 200 1.510 13.400 -10.207 1.00 0.00 C HETATM 1480 C9 48L A 200 1.645 15.003 -15.144 1.00 0.00 C HETATM 1481 BR 48L A 200 2.898 7.811 -12.112 1.00 0.00 BR HETATM 1482 F 48L A 200 1.675 11.235 -7.314 1.00 0.00 F