USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 161:sc= 0.724 USER MOD Set 1.2: A 67 THR OG1 : rot 79:sc= 0.548 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 170:sc= 1.36 (180deg=0.0515) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.926 K(o=2.3,f=-6.7!) USER MOD Set 3.1: A 11 TYR OH : rot -150:sc= 1.12 USER MOD Set 3.2: A 13 GLN : amide:sc= 0.939 K(o=2.1,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.12! K(o=-6.1!,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.709! C(o=-0.71!,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0166) USER MOD Single : A 48 MET CE :methyl -137:sc= -0.556 (180deg=-2.32) USER MOD Single : A 50 MET CE :methyl -123:sc= -0.489 (180deg=-1.02) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.42 USER MOD Single : A 61 ASN : amide:sc= 0.645 K(o=0.64,f=-9.4!) USER MOD Single : A 62 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-5.1!) USER MOD Single : A 66 THR OG1 : rot -91:sc= 1.34 USER MOD Single : A 68 MET CE :methyl -168:sc= -0.198 (180deg=-0.964) USER MOD Single : A 69 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.027) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00567) USER MOD Single : A 74 SER OG : rot 180:sc= 0.517 USER MOD Single : A 76 SER OG : rot 150:sc= 2.18 USER MOD Single : A 81 MET CE :methyl -118:sc= -0.0094 (180deg=-2.14) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 88 SER OG : rot -130:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 1.65 (180deg=1.37) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 0.694 (180deg=0.614) USER MOD Single : A 103 THR OG1 : rot -160:sc= -0.337 USER MOD Single : A 111 LYS NZ :NH3+ -173:sc= 1.11 (180deg=1.04) USER MOD Single : A 112 GLN : amide:sc= 0.662 K(o=0.66,f=-0.34) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= -0.0208 (180deg=-0.149) USER MOD Single : A 117 CYS SG : rot 82:sc= 0.729 USER MOD Single : A 118 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.278 -6.154 -11.269 1.00 0.00 N ATOM 44 CA GLU A 5 -9.992 -5.386 -12.443 1.00 0.00 C ATOM 45 C GLU A 5 -10.778 -4.144 -12.464 1.00 0.00 C ATOM 46 O GLU A 5 -11.792 -3.979 -13.168 1.00 0.00 O ATOM 47 CB GLU A 5 -10.167 -6.172 -13.636 1.00 0.00 C ATOM 48 CG GLU A 5 -11.465 -6.863 -13.610 1.00 0.00 C ATOM 49 CD GLU A 5 -11.674 -7.782 -14.783 1.00 0.00 C ATOM 50 OE1 GLU A 5 -11.966 -7.298 -15.891 1.00 0.00 O ATOM 51 OE2 GLU A 5 -11.548 -9.006 -14.626 1.00 0.00 O ATOM 0 HA GLU A 5 -8.942 -5.095 -12.415 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.108 -5.529 -14.514 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.361 -6.901 -13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.544 -7.439 -12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.263 -6.121 -13.592 1.00 0.00 H new ATOM 58 N ASP A 6 -10.369 -3.333 -11.639 1.00 0.00 N ATOM 59 CA ASP A 6 -11.068 -2.098 -11.367 1.00 0.00 C ATOM 60 C ASP A 6 -10.181 -1.118 -10.646 1.00 0.00 C ATOM 61 O ASP A 6 -10.583 -0.072 -10.209 1.00 0.00 O ATOM 62 CB ASP A 6 -12.300 -2.497 -10.575 1.00 0.00 C ATOM 63 CG ASP A 6 -13.093 -1.374 -9.910 1.00 0.00 C ATOM 64 OD1 ASP A 6 -13.930 -0.744 -10.605 1.00 0.00 O ATOM 65 OD2 ASP A 6 -12.955 -1.146 -8.686 1.00 0.00 O ATOM 0 H ASP A 6 -9.519 -3.463 -11.090 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.361 -1.575 -12.277 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.972 -3.036 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.991 -3.198 -9.800 1.00 0.00 H new ATOM 70 N GLU A 7 -8.977 -1.431 -10.612 1.00 0.00 N ATOM 71 CA GLU A 7 -8.018 -0.669 -9.972 1.00 0.00 C ATOM 72 C GLU A 7 -6.922 -0.444 -10.909 1.00 0.00 C ATOM 73 O GLU A 7 -6.562 -1.316 -11.712 1.00 0.00 O ATOM 74 CB GLU A 7 -7.584 -1.309 -8.638 1.00 0.00 C ATOM 75 CG GLU A 7 -6.939 -2.689 -8.751 1.00 0.00 C ATOM 76 CD GLU A 7 -7.881 -3.777 -9.178 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.029 -4.001 -10.403 1.00 0.00 O ATOM 78 OE2 GLU A 7 -8.468 -4.437 -8.301 1.00 0.00 O ATOM 0 H GLU A 7 -8.606 -2.272 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.423 0.302 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.881 -0.638 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.458 -1.387 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.117 -2.636 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.507 -2.956 -7.786 1.00 0.00 H new ATOM 85 N LYS A 8 -6.421 0.715 -10.849 1.00 0.00 N ATOM 86 CA LYS A 8 -5.446 1.108 -11.771 1.00 0.00 C ATOM 87 C LYS A 8 -4.187 1.593 -11.094 1.00 0.00 C ATOM 88 O LYS A 8 -4.234 2.064 -9.944 1.00 0.00 O ATOM 89 CB LYS A 8 -6.007 2.088 -12.791 1.00 0.00 C ATOM 90 CG LYS A 8 -6.667 3.317 -12.187 1.00 0.00 C ATOM 91 CD LYS A 8 -7.381 4.139 -13.246 1.00 0.00 C ATOM 92 CE LYS A 8 -8.520 3.348 -13.896 1.00 0.00 C ATOM 93 NZ LYS A 8 -9.255 4.145 -14.882 1.00 0.00 N ATOM 0 H LYS A 8 -6.674 1.422 -10.159 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.147 0.225 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.200 2.411 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.736 1.568 -13.413 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.379 3.010 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.914 3.931 -11.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.779 5.048 -12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.668 4.448 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.113 2.460 -14.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.208 3.004 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.016 3.569 -15.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.666 4.980 -14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.605 4.452 -15.634 1.00 0.00 H new ATOM 107 N VAL A 9 -3.087 1.515 -11.808 1.00 0.00 N ATOM 108 CA VAL A 9 -1.803 1.777 -11.265 1.00 0.00 C ATOM 109 C VAL A 9 -1.538 3.263 -11.199 1.00 0.00 C ATOM 110 O VAL A 9 -1.537 3.977 -12.210 1.00 0.00 O ATOM 111 CB VAL A 9 -0.682 1.079 -12.081 1.00 0.00 C ATOM 112 CG1 VAL A 9 0.675 1.250 -11.401 1.00 0.00 C ATOM 113 CG2 VAL A 9 -0.994 -0.394 -12.286 1.00 0.00 C ATOM 0 H VAL A 9 -3.075 1.263 -12.796 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.794 1.369 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.636 1.556 -13.060 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.444 0.752 -11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.910 2.311 -11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.641 0.809 -10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.193 -0.859 -12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.079 -0.886 -11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.935 -0.495 -12.828 1.00 0.00 H new ATOM 123 N LEU A 10 -1.338 3.698 -10.018 1.00 0.00 N ATOM 124 CA LEU A 10 -0.983 5.061 -9.721 1.00 0.00 C ATOM 125 C LEU A 10 0.479 5.293 -10.061 1.00 0.00 C ATOM 126 O LEU A 10 0.813 6.014 -10.992 1.00 0.00 O ATOM 127 CB LEU A 10 -1.251 5.368 -8.238 1.00 0.00 C ATOM 128 CG LEU A 10 -0.873 6.770 -7.755 1.00 0.00 C ATOM 129 CD1 LEU A 10 -1.649 7.828 -8.514 1.00 0.00 C ATOM 130 CD2 LEU A 10 -1.108 6.897 -6.258 1.00 0.00 C ATOM 0 H LEU A 10 -1.415 3.108 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.595 5.732 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.312 5.214 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.708 4.641 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 10 0.188 6.926 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.364 8.817 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.425 7.751 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.717 7.679 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.834 7.900 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.161 6.718 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.498 6.164 -5.730 1.00 0.00 H new ATOM 142 N TYR A 11 1.324 4.644 -9.336 1.00 0.00 N ATOM 143 CA TYR A 11 2.744 4.748 -9.529 1.00 0.00 C ATOM 144 C TYR A 11 3.360 3.392 -9.305 1.00 0.00 C ATOM 145 O TYR A 11 2.879 2.614 -8.465 1.00 0.00 O ATOM 146 CB TYR A 11 3.340 5.819 -8.599 1.00 0.00 C ATOM 147 CG TYR A 11 4.832 6.070 -8.751 1.00 0.00 C ATOM 148 CD1 TYR A 11 5.371 6.495 -9.964 1.00 0.00 C ATOM 149 CD2 TYR A 11 5.695 5.889 -7.683 1.00 0.00 C ATOM 150 CE1 TYR A 11 6.729 6.731 -10.100 1.00 0.00 C ATOM 151 CE2 TYR A 11 7.050 6.128 -7.812 1.00 0.00 C ATOM 152 CZ TYR A 11 7.562 6.546 -9.016 1.00 0.00 C ATOM 153 OH TYR A 11 8.921 6.788 -9.134 1.00 0.00 O ATOM 0 H TYR A 11 1.052 4.015 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 11 2.964 5.066 -10.548 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.813 6.757 -8.772 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.143 5.528 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.719 6.643 -10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.303 5.556 -6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.133 7.057 -11.047 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.706 5.986 -6.966 1.00 0.00 H new ATOM 0 HH TYR A 11 9.412 6.197 -8.526 1.00 0.00 H new ATOM 163 N SER A 12 4.332 3.081 -10.104 1.00 0.00 N ATOM 164 CA SER A 12 4.991 1.833 -10.084 1.00 0.00 C ATOM 165 C SER A 12 6.526 1.991 -10.037 1.00 0.00 C ATOM 166 O SER A 12 7.102 2.672 -10.896 1.00 0.00 O ATOM 167 CB SER A 12 4.535 1.114 -11.332 1.00 0.00 C ATOM 168 OG SER A 12 4.396 2.023 -12.424 1.00 0.00 O ATOM 0 H SER A 12 4.695 3.720 -10.811 1.00 0.00 H new ATOM 0 HA SER A 12 4.741 1.267 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.253 0.336 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.583 0.618 -11.143 1.00 0.00 H new ATOM 0 HG SER A 12 4.102 1.534 -13.221 1.00 0.00 H new ATOM 174 N GLN A 13 7.174 1.414 -9.017 1.00 0.00 N ATOM 175 CA GLN A 13 8.644 1.450 -8.927 1.00 0.00 C ATOM 176 C GLN A 13 9.215 0.220 -8.229 1.00 0.00 C ATOM 177 O GLN A 13 8.545 -0.410 -7.438 1.00 0.00 O ATOM 178 CB GLN A 13 9.163 2.808 -8.405 1.00 0.00 C ATOM 179 CG GLN A 13 10.674 2.958 -8.349 1.00 0.00 C ATOM 180 CD GLN A 13 11.116 4.375 -8.086 1.00 0.00 C ATOM 181 OE1 GLN A 13 10.424 5.156 -7.445 1.00 0.00 O ATOM 182 NE2 GLN A 13 12.264 4.721 -8.583 1.00 0.00 N ATOM 0 H GLN A 13 6.714 0.922 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 13 9.041 1.383 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.761 3.598 -9.039 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.763 2.969 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.069 2.309 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.102 2.619 -9.292 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.815 4.045 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.615 5.669 -8.444 1.00 0.00 H new ATOM 191 N ARG A 14 10.467 -0.085 -8.520 1.00 0.00 N ATOM 192 CA ARG A 14 11.077 -1.308 -8.116 1.00 0.00 C ATOM 193 C ARG A 14 11.504 -1.321 -6.666 1.00 0.00 C ATOM 194 O ARG A 14 12.183 -0.403 -6.160 1.00 0.00 O ATOM 195 CB ARG A 14 12.202 -1.682 -9.073 1.00 0.00 C ATOM 196 CG ARG A 14 11.693 -1.866 -10.496 1.00 0.00 C ATOM 197 CD ARG A 14 12.801 -2.166 -11.473 1.00 0.00 C ATOM 198 NE ARG A 14 12.287 -2.266 -12.847 1.00 0.00 N ATOM 199 CZ ARG A 14 12.935 -1.853 -13.938 1.00 0.00 C ATOM 200 NH1 ARG A 14 14.135 -1.309 -13.841 1.00 0.00 N ATOM 201 NH2 ARG A 14 12.363 -1.973 -15.126 1.00 0.00 N ATOM 0 H ARG A 14 11.085 0.528 -9.052 1.00 0.00 H new ATOM 0 HA ARG A 14 10.315 -2.085 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.966 -0.905 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.677 -2.603 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.966 -2.678 -10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.170 -0.963 -10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.557 -1.382 -11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.290 -3.100 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 14 11.365 -2.683 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.574 -1.202 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.623 -0.996 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.431 -2.380 -15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.854 -1.659 -15.963 1.00 0.00 H new ATOM 215 N VAL A 15 11.127 -2.395 -6.044 1.00 0.00 N ATOM 216 CA VAL A 15 11.246 -2.632 -4.634 1.00 0.00 C ATOM 217 C VAL A 15 11.684 -4.107 -4.414 1.00 0.00 C ATOM 218 O VAL A 15 11.814 -4.870 -5.387 1.00 0.00 O ATOM 219 CB VAL A 15 9.833 -2.422 -3.993 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.871 -3.561 -4.346 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.901 -2.194 -2.501 1.00 0.00 C ATOM 0 H VAL A 15 10.701 -3.180 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 15 11.976 -1.958 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 15 9.431 -1.508 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.902 -3.376 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.750 -3.613 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.275 -4.505 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.894 -2.054 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.361 -3.058 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.497 -1.305 -2.296 1.00 0.00 H new ATOM 231 N LYS A 16 11.956 -4.470 -3.185 1.00 0.00 N ATOM 232 CA LYS A 16 12.178 -5.849 -2.800 1.00 0.00 C ATOM 233 C LYS A 16 11.041 -6.232 -1.873 1.00 0.00 C ATOM 234 O LYS A 16 10.595 -5.384 -1.109 1.00 0.00 O ATOM 235 CB LYS A 16 13.496 -6.010 -2.044 1.00 0.00 C ATOM 236 CG LYS A 16 14.746 -5.658 -2.823 1.00 0.00 C ATOM 237 CD LYS A 16 15.974 -5.881 -1.962 1.00 0.00 C ATOM 238 CE LYS A 16 17.257 -5.584 -2.710 1.00 0.00 C ATOM 239 NZ LYS A 16 18.435 -5.766 -1.844 1.00 0.00 N ATOM 0 H LYS A 16 12.031 -3.810 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 16 12.221 -6.477 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.460 -5.387 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.578 -7.044 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.807 -6.269 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.702 -4.618 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.916 -5.247 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.989 -6.914 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.335 -6.240 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.233 -4.561 -3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.299 -5.555 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.370 -5.122 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.469 -6.749 -1.506 1.00 0.00 H new ATOM 253 N LEU A 17 10.559 -7.464 -1.919 1.00 0.00 N ATOM 254 CA LEU A 17 9.506 -7.858 -1.044 1.00 0.00 C ATOM 255 C LEU A 17 10.102 -8.792 -0.056 1.00 0.00 C ATOM 256 O LEU A 17 11.064 -9.469 -0.364 1.00 0.00 O ATOM 257 CB LEU A 17 8.365 -8.541 -1.801 1.00 0.00 C ATOM 258 CG LEU A 17 7.192 -9.029 -0.953 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.461 -7.864 -0.307 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.253 -9.850 -1.788 1.00 0.00 C ATOM 0 H LEU A 17 10.888 -8.192 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 17 9.074 -6.983 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.982 -7.844 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.775 -9.394 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 17 7.586 -9.657 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.631 -8.241 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.149 -7.313 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.078 -7.200 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.422 -10.191 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.871 -9.243 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.784 -10.712 -2.191 1.00 0.00 H new ATOM 272 N PHE A 18 9.581 -8.802 1.107 1.00 0.00 N ATOM 273 CA PHE A 18 10.072 -9.610 2.187 1.00 0.00 C ATOM 274 C PHE A 18 8.929 -10.291 2.908 1.00 0.00 C ATOM 275 O PHE A 18 7.842 -9.750 2.978 1.00 0.00 O ATOM 276 CB PHE A 18 10.796 -8.726 3.198 1.00 0.00 C ATOM 277 CG PHE A 18 12.074 -8.065 2.739 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.042 -6.907 1.988 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.306 -8.597 3.077 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.202 -6.299 1.578 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.476 -7.991 2.669 1.00 0.00 C ATOM 282 CZ PHE A 18 14.423 -6.838 1.916 1.00 0.00 C ATOM 0 H PHE A 18 8.772 -8.234 1.358 1.00 0.00 H new ATOM 0 HA PHE A 18 10.745 -10.358 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.107 -7.945 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.024 -9.331 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.090 -6.473 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.352 -9.499 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.157 -5.395 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.430 -8.419 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.335 -6.359 1.592 1.00 0.00 H new ATOM 292 N ARG A 19 9.209 -11.446 3.457 1.00 0.00 N ATOM 293 CA ARG A 19 8.358 -12.185 4.270 1.00 0.00 C ATOM 294 C ARG A 19 8.909 -12.263 5.606 1.00 0.00 C ATOM 295 O ARG A 19 10.106 -12.288 5.805 1.00 0.00 O ATOM 296 CB ARG A 19 8.220 -13.595 3.817 1.00 0.00 C ATOM 297 CG ARG A 19 9.521 -14.301 3.403 1.00 0.00 C ATOM 298 CD ARG A 19 9.308 -15.774 3.122 1.00 0.00 C ATOM 299 NE ARG A 19 9.285 -16.581 4.355 1.00 0.00 N ATOM 300 CZ ARG A 19 8.295 -17.395 4.750 1.00 0.00 C ATOM 301 NH1 ARG A 19 7.117 -17.376 4.142 1.00 0.00 N ATOM 302 NH2 ARG A 19 8.500 -18.209 5.773 1.00 0.00 N ATOM 0 H ARG A 19 10.111 -11.903 3.320 1.00 0.00 H new ATOM 0 HA ARG A 19 7.392 -11.681 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.758 -14.170 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.533 -13.618 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.927 -13.818 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.262 -14.187 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.368 -15.907 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.102 -16.135 2.469 1.00 0.00 H new ATOM 0 HE ARG A 19 10.099 -16.514 4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.955 -16.737 3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.373 -18.000 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.402 -18.212 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.756 -18.834 6.085 1.00 0.00 H new ATOM 316 N PHE A 20 8.056 -12.304 6.481 1.00 0.00 N ATOM 317 CA PHE A 20 8.388 -12.451 7.831 1.00 0.00 C ATOM 318 C PHE A 20 8.464 -13.905 8.052 1.00 0.00 C ATOM 319 O PHE A 20 7.495 -14.641 7.845 1.00 0.00 O ATOM 320 CB PHE A 20 7.350 -11.896 8.761 1.00 0.00 C ATOM 321 CG PHE A 20 7.808 -11.848 10.195 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.716 -10.895 10.609 1.00 0.00 C ATOM 323 CD2 PHE A 20 7.352 -12.778 11.116 1.00 0.00 C ATOM 324 CE1 PHE A 20 9.157 -10.859 11.915 1.00 0.00 C ATOM 325 CE2 PHE A 20 7.793 -12.750 12.421 1.00 0.00 C ATOM 326 CZ PHE A 20 8.698 -11.789 12.820 1.00 0.00 C ATOM 0 H PHE A 20 7.054 -12.236 6.301 1.00 0.00 H new ATOM 0 HA PHE A 20 9.312 -11.912 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.081 -10.890 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.448 -12.504 8.694 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.086 -10.168 9.901 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.644 -13.533 10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.861 -10.102 12.227 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.431 -13.479 13.130 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.046 -11.766 13.842 1.00 0.00 H new ATOM 336 N ASP A 21 9.568 -14.321 8.406 1.00 0.00 N ATOM 337 CA ASP A 21 9.760 -15.685 8.683 1.00 0.00 C ATOM 338 C ASP A 21 9.448 -15.918 10.066 1.00 0.00 C ATOM 339 O ASP A 21 9.950 -15.285 10.915 1.00 0.00 O ATOM 340 CB ASP A 21 11.130 -16.238 8.408 1.00 0.00 C ATOM 341 CG ASP A 21 10.942 -17.639 7.908 1.00 0.00 C ATOM 342 OD1 ASP A 21 10.675 -18.524 8.722 1.00 0.00 O ATOM 343 OD2 ASP A 21 10.976 -17.849 6.684 1.00 0.00 O ATOM 0 H ASP A 21 10.396 -13.737 8.522 1.00 0.00 H new ATOM 0 HA ASP A 21 9.098 -16.208 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.650 -15.630 7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.739 -16.229 9.312 1.00 0.00 H new ATOM 348 N ALA A 22 8.551 -16.720 10.247 1.00 0.00 N ATOM 349 CA ALA A 22 8.109 -17.134 11.541 1.00 0.00 C ATOM 350 C ALA A 22 9.175 -17.968 12.200 1.00 0.00 C ATOM 351 O ALA A 22 9.436 -17.845 13.396 1.00 0.00 O ATOM 352 CB ALA A 22 6.814 -17.890 11.437 1.00 0.00 C ATOM 0 H ALA A 22 8.041 -17.163 9.483 1.00 0.00 H new ATOM 0 HA ALA A 22 7.930 -16.253 12.158 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.492 -18.198 12.432 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.053 -17.249 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.957 -18.772 10.813 1.00 0.00 H new ATOM 358 N GLU A 23 9.842 -18.762 11.396 1.00 0.00 N ATOM 359 CA GLU A 23 10.851 -19.636 11.879 1.00 0.00 C ATOM 360 C GLU A 23 12.142 -18.884 12.044 1.00 0.00 C ATOM 361 O GLU A 23 12.921 -19.165 12.947 1.00 0.00 O ATOM 362 CB GLU A 23 11.039 -20.788 10.933 1.00 0.00 C ATOM 363 CG GLU A 23 9.783 -21.594 10.721 1.00 0.00 C ATOM 364 CD GLU A 23 9.172 -22.081 12.002 1.00 0.00 C ATOM 365 OE1 GLU A 23 9.763 -22.954 12.653 1.00 0.00 O ATOM 366 OE2 GLU A 23 8.067 -21.628 12.362 1.00 0.00 O ATOM 0 H GLU A 23 9.690 -18.810 10.389 1.00 0.00 H new ATOM 0 HA GLU A 23 10.543 -20.029 12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.385 -20.408 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.822 -21.442 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.054 -20.985 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.011 -22.450 10.086 1.00 0.00 H new ATOM 373 N VAL A 24 12.354 -17.875 11.194 1.00 0.00 N ATOM 374 CA VAL A 24 13.605 -17.113 11.294 1.00 0.00 C ATOM 375 C VAL A 24 13.391 -15.918 12.136 1.00 0.00 C ATOM 376 O VAL A 24 14.333 -15.231 12.564 1.00 0.00 O ATOM 377 CB VAL A 24 14.191 -16.645 9.934 1.00 0.00 C ATOM 378 CG1 VAL A 24 15.661 -16.232 10.046 1.00 0.00 C ATOM 379 CG2 VAL A 24 14.019 -17.691 8.931 1.00 0.00 C ATOM 0 H VAL A 24 11.711 -17.575 10.461 1.00 0.00 H new ATOM 0 HA VAL A 24 14.328 -17.803 11.730 1.00 0.00 H new ATOM 0 HB VAL A 24 13.640 -15.757 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 24 16.025 -15.913 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 24 15.755 -15.409 10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 16.252 -17.080 10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 24 14.433 -17.355 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.538 -18.593 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.958 -17.907 8.809 1.00 0.00 H new ATOM 389 N SER A 25 12.130 -15.709 12.428 1.00 0.00 N ATOM 390 CA SER A 25 11.641 -14.499 13.001 1.00 0.00 C ATOM 391 C SER A 25 12.125 -13.363 12.196 1.00 0.00 C ATOM 392 O SER A 25 12.374 -12.274 12.732 1.00 0.00 O ATOM 393 CB SER A 25 12.081 -14.404 14.396 1.00 0.00 C ATOM 394 OG SER A 25 11.308 -15.221 15.263 1.00 0.00 O ATOM 0 H SER A 25 11.401 -16.404 12.265 1.00 0.00 H new ATOM 0 HA SER A 25 10.551 -14.484 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.129 -14.696 14.464 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.017 -13.367 14.725 1.00 0.00 H new ATOM 0 HG SER A 25 11.638 -15.127 16.181 1.00 0.00 H new ATOM 400 N GLN A 26 12.227 -13.549 10.880 1.00 0.00 N ATOM 401 CA GLN A 26 12.846 -12.465 10.224 1.00 0.00 C ATOM 402 C GLN A 26 12.239 -12.119 8.880 1.00 0.00 C ATOM 403 O GLN A 26 11.822 -12.982 8.142 1.00 0.00 O ATOM 404 CB GLN A 26 14.356 -12.702 10.064 1.00 0.00 C ATOM 405 CG GLN A 26 15.109 -11.552 9.394 1.00 0.00 C ATOM 406 CD GLN A 26 16.548 -11.867 9.084 1.00 0.00 C ATOM 407 OE1 GLN A 26 17.203 -12.633 9.785 1.00 0.00 O ATOM 408 NE2 GLN A 26 17.053 -11.283 8.035 1.00 0.00 N ATOM 0 H GLN A 26 11.922 -14.348 10.325 1.00 0.00 H new ATOM 0 HA GLN A 26 12.670 -11.608 10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.790 -12.880 11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.509 -13.609 9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.598 -11.285 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.070 -10.677 10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.478 -10.652 7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.023 -11.456 7.772 1.00 0.00 H new ATOM 417 N TRP A 27 12.255 -10.849 8.579 1.00 0.00 N ATOM 418 CA TRP A 27 11.897 -10.286 7.334 1.00 0.00 C ATOM 419 C TRP A 27 12.972 -10.670 6.293 1.00 0.00 C ATOM 420 O TRP A 27 14.051 -10.083 6.252 1.00 0.00 O ATOM 421 CB TRP A 27 11.836 -8.751 7.513 1.00 0.00 C ATOM 422 CG TRP A 27 12.033 -8.285 8.951 1.00 0.00 C ATOM 423 CD1 TRP A 27 13.219 -8.200 9.639 1.00 0.00 C ATOM 424 CD2 TRP A 27 11.016 -7.845 9.861 1.00 0.00 C ATOM 425 NE1 TRP A 27 12.987 -7.785 10.922 1.00 0.00 N ATOM 426 CE2 TRP A 27 11.650 -7.546 11.082 1.00 0.00 C ATOM 427 CE3 TRP A 27 9.633 -7.684 9.765 1.00 0.00 C ATOM 428 CZ2 TRP A 27 10.949 -7.096 12.197 1.00 0.00 C ATOM 429 CZ3 TRP A 27 8.940 -7.235 10.872 1.00 0.00 C ATOM 430 CH2 TRP A 27 9.597 -6.946 12.072 1.00 0.00 C ATOM 0 H TRP A 27 12.541 -10.142 9.256 1.00 0.00 H new ATOM 0 HA TRP A 27 10.930 -10.653 6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.600 -8.292 6.886 1.00 0.00 H new ATOM 0 HB3 TRP A 27 10.871 -8.392 7.155 1.00 0.00 H new ATOM 0 HD1 TRP A 27 14.191 -8.427 9.228 1.00 0.00 H new ATOM 0 HE1 TRP A 27 13.698 -7.672 11.644 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.115 -7.906 8.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 11.454 -6.874 13.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.870 -7.105 10.810 1.00 0.00 H new ATOM 0 HH2 TRP A 27 9.023 -6.597 12.918 1.00 0.00 H new ATOM 441 N LYS A 28 12.695 -11.695 5.542 1.00 0.00 N ATOM 442 CA LYS A 28 13.596 -12.217 4.528 1.00 0.00 C ATOM 443 C LYS A 28 12.933 -12.027 3.203 1.00 0.00 C ATOM 444 O LYS A 28 11.729 -12.105 3.117 1.00 0.00 O ATOM 445 CB LYS A 28 13.883 -13.704 4.800 1.00 0.00 C ATOM 446 CG LYS A 28 14.989 -14.323 3.956 1.00 0.00 C ATOM 447 CD LYS A 28 16.355 -13.760 4.323 1.00 0.00 C ATOM 448 CE LYS A 28 17.448 -14.384 3.477 1.00 0.00 C ATOM 449 NZ LYS A 28 18.790 -13.927 3.887 1.00 0.00 N ATOM 0 H LYS A 28 11.818 -12.211 5.611 1.00 0.00 H new ATOM 0 HA LYS A 28 14.552 -11.694 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.145 -13.819 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.965 -14.269 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.991 -15.404 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.790 -14.137 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.356 -12.679 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.557 -13.946 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.394 -15.470 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.284 -14.133 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.509 -14.376 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.851 -12.894 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.958 -14.189 4.880 1.00 0.00 H new ATOM 463 N GLU A 29 13.704 -11.772 2.191 1.00 0.00 N ATOM 464 CA GLU A 29 13.212 -11.439 0.945 1.00 0.00 C ATOM 465 C GLU A 29 12.365 -12.509 0.282 1.00 0.00 C ATOM 466 O GLU A 29 12.690 -13.694 0.255 1.00 0.00 O ATOM 467 CB GLU A 29 14.279 -10.814 0.017 1.00 0.00 C ATOM 468 CG GLU A 29 15.680 -11.431 0.096 1.00 0.00 C ATOM 469 CD GLU A 29 15.719 -12.907 -0.189 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.554 -13.306 -1.355 1.00 0.00 O ATOM 471 OE2 GLU A 29 15.929 -13.691 0.748 1.00 0.00 O ATOM 0 H GLU A 29 14.722 -11.798 2.240 1.00 0.00 H new ATOM 0 HA GLU A 29 12.495 -10.642 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.927 -10.890 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.357 -9.752 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.331 -10.918 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.088 -11.253 1.091 1.00 0.00 H new ATOM 478 N ARG A 30 11.282 -12.051 -0.218 1.00 0.00 N ATOM 479 CA ARG A 30 10.328 -12.882 -0.946 1.00 0.00 C ATOM 480 C ARG A 30 10.655 -12.797 -2.394 1.00 0.00 C ATOM 481 O ARG A 30 10.437 -13.720 -3.160 1.00 0.00 O ATOM 482 CB ARG A 30 8.852 -12.469 -0.729 1.00 0.00 C ATOM 483 CG ARG A 30 8.158 -13.284 0.359 1.00 0.00 C ATOM 484 CD ARG A 30 6.704 -12.867 0.659 1.00 0.00 C ATOM 485 NE ARG A 30 5.757 -13.024 -0.453 1.00 0.00 N ATOM 486 CZ ARG A 30 4.402 -12.940 -0.310 1.00 0.00 C ATOM 487 NH1 ARG A 30 3.808 -13.151 0.862 1.00 0.00 N ATOM 488 NH2 ARG A 30 3.637 -12.775 -1.346 1.00 0.00 N ATOM 0 H ARG A 30 11.003 -11.072 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 30 10.419 -13.899 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.811 -11.412 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.307 -12.585 -1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.166 -14.334 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.739 -13.205 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.344 -13.453 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.701 -11.822 0.970 1.00 0.00 H new ATOM 0 HE ARG A 30 6.133 -13.206 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.367 -13.382 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.793 -13.081 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.047 -12.707 -2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.626 -12.713 -1.229 1.00 0.00 H new ATOM 502 N GLY A 31 11.168 -11.663 -2.764 1.00 0.00 N ATOM 503 CA GLY A 31 11.581 -11.441 -4.074 1.00 0.00 C ATOM 504 C GLY A 31 11.858 -10.001 -4.291 1.00 0.00 C ATOM 505 O GLY A 31 12.047 -9.249 -3.338 1.00 0.00 O ATOM 0 H GLY A 31 11.304 -10.869 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.477 -12.026 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.810 -11.778 -4.767 1.00 0.00 H new ATOM 509 N LEU A 32 11.850 -9.626 -5.507 1.00 0.00 N ATOM 510 CA LEU A 32 12.087 -8.271 -5.949 1.00 0.00 C ATOM 511 C LEU A 32 11.098 -7.980 -7.040 1.00 0.00 C ATOM 512 O LEU A 32 10.475 -8.904 -7.565 1.00 0.00 O ATOM 513 CB LEU A 32 13.515 -8.046 -6.530 1.00 0.00 C ATOM 514 CG LEU A 32 14.738 -8.383 -5.660 1.00 0.00 C ATOM 515 CD1 LEU A 32 15.024 -9.873 -5.657 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.953 -7.604 -6.129 1.00 0.00 C ATOM 0 H LEU A 32 11.671 -10.271 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 32 11.985 -7.617 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.593 -8.631 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.593 -6.996 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 32 14.510 -8.090 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.894 -10.075 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.161 -10.408 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.222 -10.207 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.809 -7.854 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.173 -7.862 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.750 -6.535 -6.057 1.00 0.00 H new ATOM 528 N GLY A 33 10.928 -6.736 -7.369 1.00 0.00 N ATOM 529 CA GLY A 33 10.070 -6.407 -8.450 1.00 0.00 C ATOM 530 C GLY A 33 9.716 -4.959 -8.473 1.00 0.00 C ATOM 531 O GLY A 33 10.456 -4.145 -7.994 1.00 0.00 O ATOM 0 H GLY A 33 11.371 -5.943 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.554 -6.675 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.158 -7.000 -8.380 1.00 0.00 H new ATOM 535 N ASN A 34 8.568 -4.678 -8.986 1.00 0.00 N ATOM 536 CA ASN A 34 8.018 -3.377 -9.163 1.00 0.00 C ATOM 537 C ASN A 34 6.796 -3.311 -8.386 1.00 0.00 C ATOM 538 O ASN A 34 5.893 -4.166 -8.507 1.00 0.00 O ATOM 539 CB ASN A 34 7.696 -3.139 -10.600 1.00 0.00 C ATOM 540 CG ASN A 34 7.091 -1.784 -10.827 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.784 -0.818 -11.091 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.793 -1.717 -10.737 1.00 0.00 N ATOM 0 H ASN A 34 7.940 -5.409 -9.319 1.00 0.00 H new ATOM 0 HA ASN A 34 8.735 -2.622 -8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.604 -3.234 -11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.005 -3.907 -10.948 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.316 -0.828 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.253 -2.553 -10.513 1.00 0.00 H new ATOM 549 N LEU A 35 6.758 -2.338 -7.601 1.00 0.00 N ATOM 550 CA LEU A 35 5.685 -2.096 -6.776 1.00 0.00 C ATOM 551 C LEU A 35 4.712 -1.220 -7.485 1.00 0.00 C ATOM 552 O LEU A 35 5.048 -0.128 -7.916 1.00 0.00 O ATOM 553 CB LEU A 35 6.144 -1.549 -5.405 1.00 0.00 C ATOM 554 CG LEU A 35 5.099 -1.297 -4.290 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.821 -1.117 -2.969 1.00 0.00 C ATOM 556 CD2 LEU A 35 4.272 -0.039 -4.559 1.00 0.00 C ATOM 0 H LEU A 35 7.511 -1.656 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 35 5.169 -3.028 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.883 -2.245 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.660 -0.606 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 35 4.427 -2.155 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.093 -0.939 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.392 -2.017 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.498 -0.265 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.551 0.102 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.932 0.827 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.742 -0.147 -5.505 1.00 0.00 H new ATOM 568 N LYS A 36 3.547 -1.720 -7.639 1.00 0.00 N ATOM 569 CA LYS A 36 2.499 -1.010 -8.231 1.00 0.00 C ATOM 570 C LYS A 36 1.459 -0.713 -7.170 1.00 0.00 C ATOM 571 O LYS A 36 1.167 -1.556 -6.324 1.00 0.00 O ATOM 572 CB LYS A 36 1.798 -1.812 -9.340 1.00 0.00 C ATOM 573 CG LYS A 36 2.654 -2.304 -10.490 1.00 0.00 C ATOM 574 CD LYS A 36 1.780 -3.002 -11.525 1.00 0.00 C ATOM 575 CE LYS A 36 2.593 -3.592 -12.662 1.00 0.00 C ATOM 576 NZ LYS A 36 1.745 -4.215 -13.705 1.00 0.00 N ATOM 0 H LYS A 36 3.296 -2.664 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 36 2.924 -0.106 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.321 -2.678 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.002 -1.192 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.178 -1.466 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.415 -2.992 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.209 -3.794 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.059 -2.290 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.201 -2.808 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.280 -4.339 -12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.349 -4.602 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.183 -4.982 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.107 -3.499 -14.107 1.00 0.00 H new ATOM 590 N ILE A 37 0.897 0.435 -7.222 1.00 0.00 N ATOM 591 CA ILE A 37 -0.218 0.745 -6.396 1.00 0.00 C ATOM 592 C ILE A 37 -1.388 0.836 -7.272 1.00 0.00 C ATOM 593 O ILE A 37 -1.394 1.621 -8.224 1.00 0.00 O ATOM 594 CB ILE A 37 -0.040 2.104 -5.692 1.00 0.00 C ATOM 595 CG1 ILE A 37 0.953 1.961 -4.548 1.00 0.00 C ATOM 596 CG2 ILE A 37 -1.402 2.690 -5.207 1.00 0.00 C ATOM 597 CD1 ILE A 37 0.386 1.278 -3.306 1.00 0.00 C ATOM 0 H ILE A 37 1.194 1.192 -7.838 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.325 -0.024 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 37 0.359 2.818 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.815 1.393 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.315 2.951 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.232 3.648 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.062 2.833 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.865 1.999 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.159 1.217 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.457 1.855 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.051 0.274 -3.564 1.00 0.00 H new ATOM 609 N LEU A 38 -2.351 0.019 -7.014 1.00 0.00 N ATOM 610 CA LEU A 38 -3.537 0.124 -7.758 1.00 0.00 C ATOM 611 C LEU A 38 -4.617 0.622 -6.843 1.00 0.00 C ATOM 612 O LEU A 38 -4.744 0.172 -5.712 1.00 0.00 O ATOM 613 CB LEU A 38 -3.949 -1.216 -8.421 1.00 0.00 C ATOM 614 CG LEU A 38 -3.013 -1.820 -9.490 1.00 0.00 C ATOM 615 CD1 LEU A 38 -1.737 -2.381 -8.888 1.00 0.00 C ATOM 616 CD2 LEU A 38 -3.734 -2.888 -10.284 1.00 0.00 C ATOM 0 H LEU A 38 -2.333 -0.714 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.375 0.823 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.071 -1.955 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.928 -1.074 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.726 -1.009 -10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.112 -2.794 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.196 -1.585 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.986 -3.167 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.059 -3.303 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.062 -3.681 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.601 -2.450 -10.779 1.00 0.00 H new ATOM 628 N LYS A 39 -5.346 1.573 -7.298 1.00 0.00 N ATOM 629 CA LYS A 39 -6.471 2.063 -6.547 1.00 0.00 C ATOM 630 C LYS A 39 -7.731 1.781 -7.315 1.00 0.00 C ATOM 631 O LYS A 39 -7.807 2.057 -8.524 1.00 0.00 O ATOM 632 CB LYS A 39 -6.379 3.567 -6.284 1.00 0.00 C ATOM 633 CG LYS A 39 -7.491 4.074 -5.364 1.00 0.00 C ATOM 634 CD LYS A 39 -7.504 5.587 -5.233 1.00 0.00 C ATOM 635 CE LYS A 39 -8.005 6.267 -6.494 1.00 0.00 C ATOM 636 NZ LYS A 39 -9.422 5.938 -6.771 1.00 0.00 N ATOM 0 H LYS A 39 -5.193 2.039 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.475 1.554 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.411 3.795 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.426 4.101 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.455 3.739 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.370 3.630 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.137 5.872 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.497 5.939 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.896 7.347 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.389 5.963 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.777 6.547 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.497 4.942 -7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.989 6.094 -5.913 1.00 0.00 H new ATOM 650 N ASN A 40 -8.696 1.231 -6.628 1.00 0.00 N ATOM 651 CA ASN A 40 -9.997 0.900 -7.198 1.00 0.00 C ATOM 652 C ASN A 40 -10.763 2.106 -7.638 1.00 0.00 C ATOM 653 O ASN A 40 -10.651 3.187 -7.044 1.00 0.00 O ATOM 654 CB ASN A 40 -10.861 0.089 -6.234 1.00 0.00 C ATOM 655 CG ASN A 40 -10.479 -1.357 -6.198 1.00 0.00 C ATOM 656 OD1 ASN A 40 -9.624 -1.778 -5.438 1.00 0.00 O ATOM 657 ND2 ASN A 40 -11.127 -2.114 -7.005 1.00 0.00 N ATOM 0 H ASN A 40 -8.610 0.992 -5.640 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.773 0.294 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.774 0.509 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.907 0.178 -6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.936 -3.116 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.834 -1.715 -7.622 1.00 0.00 H new ATOM 664 N GLU A 41 -11.509 1.923 -8.701 1.00 0.00 N ATOM 665 CA GLU A 41 -12.365 2.852 -9.282 1.00 0.00 C ATOM 666 C GLU A 41 -13.638 3.000 -8.469 1.00 0.00 C ATOM 667 O GLU A 41 -14.414 3.924 -8.674 1.00 0.00 O ATOM 668 CB GLU A 41 -12.647 2.341 -10.639 1.00 0.00 C ATOM 669 CG GLU A 41 -11.573 2.662 -11.646 1.00 0.00 C ATOM 670 CD GLU A 41 -11.472 4.141 -11.887 1.00 0.00 C ATOM 671 OE1 GLU A 41 -12.206 4.657 -12.745 1.00 0.00 O ATOM 672 OE2 GLU A 41 -10.660 4.829 -11.211 1.00 0.00 O ATOM 0 H GLU A 41 -11.511 1.035 -9.202 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.917 3.845 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.775 1.260 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.593 2.758 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.614 2.283 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.789 2.153 -12.585 1.00 0.00 H new ATOM 679 N VAL A 42 -13.813 2.096 -7.502 1.00 0.00 N ATOM 680 CA VAL A 42 -14.836 2.177 -6.533 1.00 0.00 C ATOM 681 C VAL A 42 -14.393 3.277 -5.576 1.00 0.00 C ATOM 682 O VAL A 42 -15.183 3.898 -4.844 1.00 0.00 O ATOM 683 CB VAL A 42 -14.889 0.793 -5.834 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.447 0.870 -4.464 1.00 0.00 C ATOM 685 CG2 VAL A 42 -15.689 -0.175 -6.663 1.00 0.00 C ATOM 0 H VAL A 42 -13.215 1.277 -7.394 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.826 2.407 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.862 0.440 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.462 -0.126 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.828 1.529 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.463 1.263 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.720 -1.143 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.704 0.203 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.223 -0.287 -7.642 1.00 0.00 H new ATOM 695 N ASN A 43 -13.073 3.513 -5.657 1.00 0.00 N ATOM 696 CA ASN A 43 -12.356 4.505 -4.927 1.00 0.00 C ATOM 697 C ASN A 43 -12.525 4.183 -3.474 1.00 0.00 C ATOM 698 O ASN A 43 -12.740 5.032 -2.624 1.00 0.00 O ATOM 699 CB ASN A 43 -12.894 5.866 -5.324 1.00 0.00 C ATOM 700 CG ASN A 43 -12.113 7.035 -4.769 1.00 0.00 C ATOM 701 OD1 ASN A 43 -10.894 6.953 -4.625 1.00 0.00 O ATOM 702 ND2 ASN A 43 -12.779 8.119 -4.495 1.00 0.00 N ATOM 0 H ASN A 43 -12.468 2.973 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.288 4.520 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.904 5.936 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.929 5.945 -4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.290 8.944 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.790 8.144 -4.629 1.00 0.00 H new ATOM 709 N GLY A 44 -12.451 2.902 -3.224 1.00 0.00 N ATOM 710 CA GLY A 44 -12.600 2.408 -1.898 1.00 0.00 C ATOM 711 C GLY A 44 -11.438 1.567 -1.496 1.00 0.00 C ATOM 712 O GLY A 44 -10.815 1.804 -0.467 1.00 0.00 O ATOM 0 H GLY A 44 -12.287 2.186 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.702 3.244 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.516 1.822 -1.827 1.00 0.00 H new ATOM 716 N LYS A 45 -11.126 0.585 -2.303 1.00 0.00 N ATOM 717 CA LYS A 45 -10.061 -0.305 -1.992 1.00 0.00 C ATOM 718 C LYS A 45 -8.793 0.152 -2.689 1.00 0.00 C ATOM 719 O LYS A 45 -8.832 0.638 -3.831 1.00 0.00 O ATOM 720 CB LYS A 45 -10.439 -1.733 -2.387 1.00 0.00 C ATOM 721 CG LYS A 45 -9.479 -2.816 -1.884 1.00 0.00 C ATOM 722 CD LYS A 45 -9.341 -2.795 -0.355 1.00 0.00 C ATOM 723 CE LYS A 45 -10.677 -2.991 0.351 1.00 0.00 C ATOM 724 NZ LYS A 45 -11.271 -4.311 0.082 1.00 0.00 N ATOM 0 H LYS A 45 -11.603 0.389 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.877 -0.297 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.438 -1.948 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.493 -1.792 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.837 -3.795 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.499 -2.672 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.650 -3.579 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.905 -1.845 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.537 -2.872 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.370 -2.213 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.152 -4.412 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.478 -4.398 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.603 -5.056 0.364 1.00 0.00 H new ATOM 738 N LEU A 46 -7.704 0.077 -1.983 1.00 0.00 N ATOM 739 CA LEU A 46 -6.457 0.432 -2.464 1.00 0.00 C ATOM 740 C LEU A 46 -5.601 -0.803 -2.342 1.00 0.00 C ATOM 741 O LEU A 46 -5.821 -1.619 -1.448 1.00 0.00 O ATOM 742 CB LEU A 46 -5.805 1.467 -1.565 1.00 0.00 C ATOM 743 CG LEU A 46 -6.659 2.537 -0.797 1.00 0.00 C ATOM 744 CD1 LEU A 46 -7.581 3.333 -1.703 1.00 0.00 C ATOM 745 CD2 LEU A 46 -7.403 1.940 0.405 1.00 0.00 C ATOM 0 H LEU A 46 -7.690 -0.251 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.552 0.823 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.232 0.921 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.088 2.013 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.940 3.254 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.142 4.054 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.989 3.861 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.275 2.656 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.978 2.721 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.077 1.155 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.683 1.519 1.106 1.00 0.00 H new ATOM 757 N ARG A 47 -4.652 -0.926 -3.188 1.00 0.00 N ATOM 758 CA ARG A 47 -3.705 -2.037 -3.165 1.00 0.00 C ATOM 759 C ARG A 47 -2.337 -1.622 -3.575 1.00 0.00 C ATOM 760 O ARG A 47 -2.143 -0.716 -4.360 1.00 0.00 O ATOM 761 CB ARG A 47 -4.113 -3.205 -4.062 1.00 0.00 C ATOM 762 CG ARG A 47 -5.234 -2.923 -5.075 1.00 0.00 C ATOM 763 CD ARG A 47 -5.949 -4.207 -5.523 1.00 0.00 C ATOM 764 NE ARG A 47 -5.038 -5.217 -6.067 1.00 0.00 N ATOM 765 CZ ARG A 47 -5.343 -6.157 -6.986 1.00 0.00 C ATOM 766 NH1 ARG A 47 -6.494 -6.141 -7.640 1.00 0.00 N ATOM 767 NH2 ARG A 47 -4.453 -7.103 -7.261 1.00 0.00 N ATOM 0 H ARG A 47 -4.485 -0.259 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.710 -2.363 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.232 -3.540 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.426 -4.033 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.959 -2.241 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.815 -2.419 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.486 -4.631 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.694 -3.955 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.080 -5.209 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.176 -5.406 -7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.699 -6.864 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.554 -7.112 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.669 -7.820 -7.953 1.00 0.00 H new ATOM 781 N MET A 48 -1.432 -2.308 -3.030 1.00 0.00 N ATOM 782 CA MET A 48 -0.071 -2.247 -3.283 1.00 0.00 C ATOM 783 C MET A 48 0.328 -3.661 -3.643 1.00 0.00 C ATOM 784 O MET A 48 0.216 -4.568 -2.832 1.00 0.00 O ATOM 785 CB MET A 48 0.598 -1.932 -1.949 1.00 0.00 C ATOM 786 CG MET A 48 2.077 -1.658 -2.008 1.00 0.00 C ATOM 787 SD MET A 48 2.897 -1.883 -0.409 1.00 0.00 S ATOM 788 CE MET A 48 1.980 -0.748 0.625 1.00 0.00 C ATOM 0 H MET A 48 -1.654 -3.003 -2.317 1.00 0.00 H new ATOM 0 HA MET A 48 0.192 -1.521 -4.053 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.104 -1.064 -1.512 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.429 -2.770 -1.272 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.535 -2.320 -2.743 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.239 -0.637 -2.354 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.671 -0.198 1.264 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.431 -0.047 -0.003 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.279 -1.306 1.245 1.00 0.00 H new ATOM 798 N LEU A 49 0.769 -3.846 -4.793 1.00 0.00 N ATOM 799 CA LEU A 49 1.337 -5.117 -5.169 1.00 0.00 C ATOM 800 C LEU A 49 2.664 -4.962 -5.759 1.00 0.00 C ATOM 801 O LEU A 49 2.987 -3.948 -6.338 1.00 0.00 O ATOM 802 CB LEU A 49 0.471 -5.958 -6.083 1.00 0.00 C ATOM 803 CG LEU A 49 0.061 -5.395 -7.475 1.00 0.00 C ATOM 804 CD1 LEU A 49 1.159 -5.546 -8.521 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.227 -6.038 -7.951 1.00 0.00 C ATOM 0 H LEU A 49 0.765 -3.143 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 49 1.409 -5.662 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.992 -6.901 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.446 -6.192 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.102 -4.325 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.816 -5.136 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.049 -5.008 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.399 -6.602 -8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.498 -5.632 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.087 -7.116 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.024 -5.829 -7.237 1.00 0.00 H new ATOM 817 N MET A 50 3.428 -5.942 -5.618 1.00 0.00 N ATOM 818 CA MET A 50 4.636 -5.998 -6.142 1.00 0.00 C ATOM 819 C MET A 50 4.678 -7.220 -6.924 1.00 0.00 C ATOM 820 O MET A 50 4.390 -8.295 -6.463 1.00 0.00 O ATOM 821 CB MET A 50 5.691 -6.005 -5.101 1.00 0.00 C ATOM 822 CG MET A 50 5.345 -6.816 -3.852 1.00 0.00 C ATOM 823 SD MET A 50 4.316 -5.954 -2.628 1.00 0.00 S ATOM 824 CE MET A 50 5.388 -4.600 -2.152 1.00 0.00 C ATOM 0 H MET A 50 3.174 -6.774 -5.086 1.00 0.00 H new ATOM 0 HA MET A 50 4.828 -5.118 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.609 -6.403 -5.534 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.898 -4.977 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.829 -7.725 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.273 -7.124 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.551 -4.627 -1.075 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.344 -4.695 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.922 -3.653 -2.425 1.00 0.00 H new ATOM 834 N ARG A 51 4.986 -7.001 -8.035 1.00 0.00 N ATOM 835 CA ARG A 51 5.147 -7.936 -9.118 1.00 0.00 C ATOM 836 C ARG A 51 6.564 -7.966 -9.467 1.00 0.00 C ATOM 837 O ARG A 51 7.251 -6.973 -9.375 1.00 0.00 O ATOM 838 CB ARG A 51 4.365 -7.413 -10.283 1.00 0.00 C ATOM 839 CG ARG A 51 4.522 -8.034 -11.669 1.00 0.00 C ATOM 840 CD ARG A 51 3.997 -7.029 -12.685 1.00 0.00 C ATOM 841 NE ARG A 51 4.235 -7.405 -14.069 1.00 0.00 N ATOM 842 CZ ARG A 51 5.216 -6.891 -14.855 1.00 0.00 C ATOM 843 NH1 ARG A 51 6.101 -6.005 -14.365 1.00 0.00 N ATOM 844 NH2 ARG A 51 5.284 -7.241 -16.130 1.00 0.00 N ATOM 0 H ARG A 51 5.179 -6.047 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 51 4.803 -8.934 -8.848 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.310 -7.482 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.601 -6.353 -10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.568 -8.269 -11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.967 -8.970 -11.734 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.925 -6.902 -12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.463 -6.062 -12.497 1.00 0.00 H new ATOM 0 HE ARG A 51 3.620 -8.107 -14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.041 -5.710 -13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.832 -5.628 -14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.602 -7.893 -16.517 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.018 -6.858 -16.725 1.00 0.00 H new ATOM 858 N ARG A 52 6.967 -9.061 -9.887 1.00 0.00 N ATOM 859 CA ARG A 52 8.256 -9.281 -10.286 1.00 0.00 C ATOM 860 C ARG A 52 8.285 -8.843 -11.703 1.00 0.00 C ATOM 861 O ARG A 52 7.476 -9.269 -12.504 1.00 0.00 O ATOM 862 CB ARG A 52 8.594 -10.737 -10.068 1.00 0.00 C ATOM 863 CG ARG A 52 8.615 -11.168 -8.608 1.00 0.00 C ATOM 864 CD ARG A 52 8.876 -12.658 -8.485 1.00 0.00 C ATOM 865 NE ARG A 52 9.110 -13.078 -7.100 1.00 0.00 N ATOM 866 CZ ARG A 52 8.454 -14.057 -6.463 1.00 0.00 C ATOM 867 NH1 ARG A 52 7.407 -14.652 -7.033 1.00 0.00 N ATOM 868 NH2 ARG A 52 8.832 -14.426 -5.248 1.00 0.00 N ATOM 0 H ARG A 52 6.368 -9.882 -9.967 1.00 0.00 H new ATOM 0 HA ARG A 52 9.012 -8.732 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.869 -11.350 -10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.570 -10.940 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.387 -10.615 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.663 -10.922 -8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.025 -13.207 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.742 -12.923 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 52 9.833 -12.583 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.099 -14.363 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.913 -15.397 -6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.622 -13.965 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.333 -15.171 -4.763 1.00 0.00 H new ATOM 882 N GLU A 53 9.175 -7.953 -11.944 1.00 0.00 N ATOM 883 CA GLU A 53 9.345 -7.193 -13.197 1.00 0.00 C ATOM 884 C GLU A 53 9.360 -8.042 -14.361 1.00 0.00 C ATOM 885 O GLU A 53 8.365 -8.155 -15.089 1.00 0.00 O ATOM 886 CB GLU A 53 10.624 -6.356 -13.146 1.00 0.00 C ATOM 887 CG GLU A 53 10.789 -5.374 -14.303 1.00 0.00 C ATOM 888 CD GLU A 53 9.697 -4.339 -14.357 1.00 0.00 C ATOM 889 OE1 GLU A 53 8.648 -4.577 -15.015 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.879 -3.258 -13.770 1.00 0.00 O ATOM 0 H GLU A 53 9.869 -7.694 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 53 8.481 -6.535 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.641 -5.799 -12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.482 -7.028 -13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.753 -4.873 -14.212 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.805 -5.927 -15.242 1.00 0.00 H new ATOM 897 N GLN A 54 10.428 -8.675 -14.540 1.00 0.00 N ATOM 898 CA GLN A 54 10.565 -9.423 -15.721 1.00 0.00 C ATOM 899 C GLN A 54 9.870 -10.769 -15.593 1.00 0.00 C ATOM 900 O GLN A 54 9.734 -11.523 -16.560 1.00 0.00 O ATOM 901 CB GLN A 54 12.004 -9.538 -16.195 1.00 0.00 C ATOM 902 CG GLN A 54 12.675 -8.204 -16.464 1.00 0.00 C ATOM 903 CD GLN A 54 14.088 -8.358 -16.977 1.00 0.00 C ATOM 904 OE1 GLN A 54 15.042 -8.419 -16.205 1.00 0.00 O ATOM 905 NE2 GLN A 54 14.241 -8.393 -18.269 1.00 0.00 N ATOM 0 H GLN A 54 11.221 -8.699 -13.899 1.00 0.00 H new ATOM 0 HA GLN A 54 10.059 -8.870 -16.512 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.581 -10.078 -15.444 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.029 -10.136 -17.106 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.087 -7.646 -17.192 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.688 -7.616 -15.546 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.426 -8.340 -18.881 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.175 -8.473 -18.670 1.00 0.00 H new ATOM 914 N VAL A 55 9.426 -11.050 -14.396 1.00 0.00 N ATOM 915 CA VAL A 55 8.749 -12.252 -14.084 1.00 0.00 C ATOM 916 C VAL A 55 7.219 -12.080 -14.312 1.00 0.00 C ATOM 917 O VAL A 55 6.463 -13.060 -14.306 1.00 0.00 O ATOM 918 CB VAL A 55 9.066 -12.507 -12.585 1.00 0.00 C ATOM 919 CG1 VAL A 55 8.147 -13.521 -11.948 1.00 0.00 C ATOM 920 CG2 VAL A 55 10.517 -12.937 -12.423 1.00 0.00 C ATOM 0 H VAL A 55 9.535 -10.423 -13.599 1.00 0.00 H new ATOM 0 HA VAL A 55 9.064 -13.086 -14.711 1.00 0.00 H new ATOM 0 HB VAL A 55 8.898 -11.564 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.421 -13.654 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.117 -13.169 -12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.238 -14.473 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.729 -13.113 -11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.690 -13.854 -12.986 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.173 -12.152 -12.799 1.00 0.00 H new ATOM 930 N LEU A 56 6.819 -10.830 -14.648 1.00 0.00 N ATOM 931 CA LEU A 56 5.492 -10.372 -14.971 1.00 0.00 C ATOM 932 C LEU A 56 4.418 -10.748 -13.911 1.00 0.00 C ATOM 933 O LEU A 56 3.223 -10.488 -14.067 1.00 0.00 O ATOM 934 CB LEU A 56 5.232 -11.102 -16.228 1.00 0.00 C ATOM 935 CG LEU A 56 3.843 -11.123 -16.720 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.372 -9.767 -17.253 1.00 0.00 C ATOM 937 CD2 LEU A 56 3.545 -12.281 -17.650 1.00 0.00 C ATOM 0 H LEU A 56 7.494 -10.067 -14.697 1.00 0.00 H new ATOM 0 HA LEU A 56 5.436 -9.285 -15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.860 -10.668 -17.007 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.558 -12.133 -16.093 1.00 0.00 H new ATOM 0 HG LEU A 56 3.229 -11.313 -15.840 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.342 -9.850 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.428 -9.024 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.010 -9.460 -18.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.505 -12.231 -17.972 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.197 -12.225 -18.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.718 -13.222 -17.127 1.00 0.00 H new ATOM 949 N LYS A 57 4.853 -11.200 -12.832 1.00 0.00 N ATOM 950 CA LYS A 57 3.951 -11.666 -11.836 1.00 0.00 C ATOM 951 C LYS A 57 4.057 -11.081 -10.420 1.00 0.00 C ATOM 952 O LYS A 57 5.079 -11.270 -9.737 1.00 0.00 O ATOM 953 CB LYS A 57 4.005 -13.144 -11.825 1.00 0.00 C ATOM 954 CG LYS A 57 2.913 -13.793 -10.976 1.00 0.00 C ATOM 955 CD LYS A 57 3.040 -15.309 -10.903 1.00 0.00 C ATOM 956 CE LYS A 57 2.883 -15.969 -12.259 1.00 0.00 C ATOM 957 NZ LYS A 57 2.859 -17.445 -12.155 1.00 0.00 N ATOM 0 H LYS A 57 5.841 -11.269 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 57 2.976 -11.283 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.922 -13.509 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.979 -13.460 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.952 -13.381 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.938 -13.535 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.013 -15.570 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.285 -15.702 -10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.961 -15.623 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.704 -15.664 -12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.750 -17.858 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.749 -17.778 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.061 -17.738 -11.556 1.00 0.00 H new ATOM 971 N VAL A 58 3.093 -10.232 -10.085 1.00 0.00 N ATOM 972 CA VAL A 58 2.644 -9.974 -8.697 1.00 0.00 C ATOM 973 C VAL A 58 2.976 -11.126 -7.724 1.00 0.00 C ATOM 974 O VAL A 58 2.663 -12.301 -7.949 1.00 0.00 O ATOM 975 CB VAL A 58 1.105 -9.690 -8.677 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.302 -10.833 -9.297 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.630 -9.401 -7.267 1.00 0.00 C ATOM 0 H VAL A 58 2.582 -9.685 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 58 3.194 -9.100 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 58 0.932 -8.805 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.761 -10.592 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.608 -10.972 -10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.485 -11.751 -8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.442 -9.207 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.837 -10.261 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.154 -8.527 -6.879 1.00 0.00 H new ATOM 987 N CYS A 59 3.634 -10.761 -6.690 1.00 0.00 N ATOM 988 CA CYS A 59 4.042 -11.640 -5.668 1.00 0.00 C ATOM 989 C CYS A 59 3.132 -11.467 -4.448 1.00 0.00 C ATOM 990 O CYS A 59 2.730 -12.454 -3.855 1.00 0.00 O ATOM 991 CB CYS A 59 5.510 -11.344 -5.321 1.00 0.00 C ATOM 992 SG CYS A 59 6.250 -12.408 -4.067 1.00 0.00 S ATOM 0 H CYS A 59 3.915 -9.794 -6.527 1.00 0.00 H new ATOM 0 HA CYS A 59 3.963 -12.676 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.102 -11.423 -6.233 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.582 -10.311 -4.982 1.00 0.00 H new ATOM 0 HG CYS A 59 7.485 -12.054 -3.871 1.00 0.00 H new ATOM 998 N ALA A 60 2.752 -10.209 -4.119 1.00 0.00 N ATOM 999 CA ALA A 60 1.972 -9.906 -2.973 1.00 0.00 C ATOM 1000 C ALA A 60 1.089 -8.849 -3.340 1.00 0.00 C ATOM 1001 O ALA A 60 1.470 -7.956 -4.083 1.00 0.00 O ATOM 1002 CB ALA A 60 2.771 -9.372 -1.813 1.00 0.00 C ATOM 0 H ALA A 60 3.000 -9.389 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 60 1.488 -10.832 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.104 -9.165 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.513 -10.111 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.275 -8.453 -2.111 1.00 0.00 H new ATOM 1008 N ASN A 61 -0.043 -8.962 -2.885 1.00 0.00 N ATOM 1009 CA ASN A 61 -0.999 -7.955 -2.959 1.00 0.00 C ATOM 1010 C ASN A 61 -1.393 -7.531 -1.590 1.00 0.00 C ATOM 1011 O ASN A 61 -2.083 -8.232 -0.864 1.00 0.00 O ATOM 1012 CB ASN A 61 -2.200 -8.361 -3.684 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.124 -7.173 -3.894 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -2.976 -6.447 -4.873 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -4.061 -6.945 -2.981 1.00 0.00 N ATOM 0 H ASN A 61 -0.373 -9.805 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.540 -7.132 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.923 -8.788 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.721 -9.140 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.686 -6.145 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.155 -7.569 -2.180 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.930 -6.430 -1.257 1.00 0.00 N ATOM 1023 CA HIS A 62 -1.260 -5.752 -0.028 1.00 0.00 C ATOM 1024 C HIS A 62 -2.283 -4.679 -0.338 1.00 0.00 C ATOM 1025 O HIS A 62 -2.252 -4.104 -1.378 1.00 0.00 O ATOM 1026 CB HIS A 62 -0.050 -4.982 0.507 1.00 0.00 C ATOM 1027 CG HIS A 62 1.081 -5.708 1.090 1.00 0.00 C ATOM 1028 ND1 HIS A 62 1.393 -5.613 2.418 1.00 0.00 N ATOM 1029 CD2 HIS A 62 2.082 -6.390 0.515 1.00 0.00 C ATOM 1030 CE1 HIS A 62 2.537 -6.190 2.639 1.00 0.00 C ATOM 1031 NE2 HIS A 62 2.985 -6.675 1.499 1.00 0.00 N ATOM 0 H HIS A 62 -0.270 -5.912 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.607 -6.499 0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.340 -4.380 -0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.416 -4.289 1.265 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.817 -5.159 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.159 -6.662 -0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.035 -6.260 3.595 1.00 0.00 H new ATOM 1039 N TRP A 63 -3.207 -4.489 0.504 1.00 0.00 N ATOM 1040 CA TRP A 63 -4.011 -3.306 0.497 1.00 0.00 C ATOM 1041 C TRP A 63 -3.264 -2.284 1.315 1.00 0.00 C ATOM 1042 O TRP A 63 -2.697 -2.618 2.341 1.00 0.00 O ATOM 1043 CB TRP A 63 -5.362 -3.572 1.133 1.00 0.00 C ATOM 1044 CG TRP A 63 -6.052 -4.750 0.534 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -6.527 -4.867 -0.739 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.336 -5.981 1.185 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -7.088 -6.101 -0.913 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -6.987 -6.805 0.255 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -6.104 -6.468 2.469 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.406 -8.089 0.571 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -6.523 -7.740 2.776 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.168 -8.536 1.832 1.00 0.00 C ATOM 0 H TRP A 63 -3.447 -5.153 1.241 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.187 -2.964 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.231 -3.737 2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.993 -2.690 1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.469 -4.099 -1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.513 -6.442 -1.775 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.605 -5.859 3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.903 -8.711 -0.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.349 -8.130 3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.486 -9.530 2.109 1.00 0.00 H new ATOM 1063 N ILE A 64 -3.231 -1.073 0.876 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.525 -0.072 1.551 1.00 0.00 C ATOM 1065 C ILE A 64 -3.578 0.818 2.225 1.00 0.00 C ATOM 1066 O ILE A 64 -4.321 1.526 1.566 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.540 0.665 0.529 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -0.824 1.887 1.141 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -2.251 1.036 -0.774 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -1.701 3.093 1.236 1.00 0.00 C ATOM 0 H ILE A 64 -3.703 -0.760 0.028 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.865 -0.445 2.334 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.760 -0.060 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.463 1.628 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.051 2.128 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.549 1.535 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.628 0.132 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.083 1.706 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.139 3.918 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.041 3.375 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.563 2.867 1.864 1.00 0.00 H new ATOM 1082 N THR A 65 -3.713 0.672 3.515 1.00 0.00 N ATOM 1083 CA THR A 65 -4.734 1.381 4.245 1.00 0.00 C ATOM 1084 C THR A 65 -4.257 1.816 5.600 1.00 0.00 C ATOM 1085 O THR A 65 -3.275 1.296 6.131 1.00 0.00 O ATOM 1086 CB THR A 65 -6.023 0.508 4.362 1.00 0.00 C ATOM 1087 OG1 THR A 65 -7.051 1.127 5.174 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.718 -0.898 4.876 1.00 0.00 C ATOM 0 H THR A 65 -3.126 0.065 4.087 1.00 0.00 H new ATOM 0 HA THR A 65 -4.972 2.285 3.685 1.00 0.00 H new ATOM 0 HB THR A 65 -6.413 0.426 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.917 0.714 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.643 -1.470 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.032 -1.395 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.261 -0.833 5.863 1.00 0.00 H new ATOM 1096 N THR A 66 -4.983 2.756 6.157 1.00 0.00 N ATOM 1097 CA THR A 66 -4.779 3.253 7.496 1.00 0.00 C ATOM 1098 C THR A 66 -5.306 2.256 8.514 1.00 0.00 C ATOM 1099 O THR A 66 -5.149 2.427 9.715 1.00 0.00 O ATOM 1100 CB THR A 66 -5.500 4.555 7.695 1.00 0.00 C ATOM 1101 OG1 THR A 66 -6.462 4.740 6.634 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.553 5.714 7.786 1.00 0.00 C ATOM 0 H THR A 66 -5.758 3.211 5.674 1.00 0.00 H new ATOM 0 HA THR A 66 -3.708 3.401 7.635 1.00 0.00 H new ATOM 0 HB THR A 66 -6.027 4.515 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.045 5.232 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.118 6.635 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.878 5.567 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.974 5.784 6.865 1.00 0.00 H new ATOM 1110 N THR A 67 -5.913 1.202 8.005 1.00 0.00 N ATOM 1111 CA THR A 67 -6.493 0.140 8.795 1.00 0.00 C ATOM 1112 C THR A 67 -5.361 -0.841 9.178 1.00 0.00 C ATOM 1113 O THR A 67 -5.542 -1.847 9.860 1.00 0.00 O ATOM 1114 CB THR A 67 -7.568 -0.558 7.914 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.522 0.431 7.462 1.00 0.00 O ATOM 1116 CG2 THR A 67 -8.293 -1.667 8.656 1.00 0.00 C ATOM 0 H THR A 67 -6.018 1.059 7.001 1.00 0.00 H new ATOM 0 HA THR A 67 -6.960 0.508 9.709 1.00 0.00 H new ATOM 0 HB THR A 67 -7.059 -1.017 7.066 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.141 0.935 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.033 -2.122 7.997 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.575 -2.423 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.793 -1.253 9.532 1.00 0.00 H new ATOM 1124 N MET A 68 -4.194 -0.455 8.788 1.00 0.00 N ATOM 1125 CA MET A 68 -3.038 -1.149 8.924 1.00 0.00 C ATOM 1126 C MET A 68 -2.009 -0.071 9.182 1.00 0.00 C ATOM 1127 O MET A 68 -2.323 1.125 9.094 1.00 0.00 O ATOM 1128 CB MET A 68 -2.782 -1.795 7.596 1.00 0.00 C ATOM 1129 CG MET A 68 -1.581 -2.704 7.525 1.00 0.00 C ATOM 1130 SD MET A 68 -1.135 -3.050 5.818 1.00 0.00 S ATOM 1131 CE MET A 68 -2.649 -3.793 5.210 1.00 0.00 C ATOM 0 H MET A 68 -4.054 0.444 8.327 1.00 0.00 H new ATOM 0 HA MET A 68 -3.036 -1.909 9.705 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.665 -2.370 7.317 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.664 -1.010 6.849 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.738 -2.240 8.038 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.796 -3.638 8.045 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.464 -4.252 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.989 -4.554 5.913 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.416 -3.025 5.108 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.867 -0.458 9.500 1.00 0.00 N ATOM 1142 CA ASN A 69 0.220 0.425 9.785 1.00 0.00 C ATOM 1143 C ASN A 69 1.473 -0.161 9.192 1.00 0.00 C ATOM 1144 O ASN A 69 1.564 -1.380 9.017 1.00 0.00 O ATOM 1145 CB ASN A 69 0.372 0.466 11.285 1.00 0.00 C ATOM 1146 CG ASN A 69 1.466 1.398 11.798 1.00 0.00 C ATOM 1147 OD1 ASN A 69 2.141 1.089 12.774 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.592 2.571 11.213 1.00 0.00 N ATOM 0 H ASN A 69 -0.620 -1.444 9.582 1.00 0.00 H new ATOM 0 HA ASN A 69 0.045 1.421 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.579 0.771 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.579 -0.543 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.264 3.250 11.570 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.017 2.801 10.402 1.00 0.00 H new ATOM 1155 N LEU A 70 2.400 0.693 8.853 1.00 0.00 N ATOM 1156 CA LEU A 70 3.632 0.330 8.444 1.00 0.00 C ATOM 1157 C LEU A 70 4.598 0.401 9.614 1.00 0.00 C ATOM 1158 O LEU A 70 4.574 1.324 10.432 1.00 0.00 O ATOM 1159 CB LEU A 70 4.032 1.089 7.188 1.00 0.00 C ATOM 1160 CG LEU A 70 3.925 2.609 7.109 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.809 3.232 8.130 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.400 2.985 5.744 1.00 0.00 C ATOM 0 H LEU A 70 2.259 1.703 8.873 1.00 0.00 H new ATOM 0 HA LEU A 70 3.651 -0.713 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.071 0.833 6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.435 0.686 6.370 1.00 0.00 H new ATOM 0 HG LEU A 70 2.905 2.947 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.728 4.317 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.506 2.902 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.842 2.934 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.347 4.067 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.431 2.656 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.769 2.507 4.995 1.00 0.00 H new ATOM 1174 N LYS A 71 5.337 -0.587 9.718 1.00 0.00 N ATOM 1175 CA LYS A 71 6.267 -0.793 10.829 1.00 0.00 C ATOM 1176 C LYS A 71 7.623 -1.210 10.258 1.00 0.00 C ATOM 1177 O LYS A 71 7.662 -1.963 9.316 1.00 0.00 O ATOM 1178 CB LYS A 71 5.682 -1.883 11.760 1.00 0.00 C ATOM 1179 CG LYS A 71 6.425 -2.113 13.074 1.00 0.00 C ATOM 1180 CD LYS A 71 5.696 -3.133 13.939 1.00 0.00 C ATOM 1181 CE LYS A 71 6.340 -3.294 15.310 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.715 -3.836 15.243 1.00 0.00 N ATOM 0 H LYS A 71 5.354 -1.340 9.030 1.00 0.00 H new ATOM 0 HA LYS A 71 6.405 0.120 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.650 -1.619 11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.655 -2.825 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.437 -2.462 12.868 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.516 -1.171 13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.657 -2.826 14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.685 -4.097 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.361 -2.326 15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.724 -3.955 15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.089 -3.955 16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.702 -4.757 14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.322 -3.177 14.715 1.00 0.00 H new ATOM 1196 N PRO A 72 8.748 -0.728 10.805 1.00 0.00 N ATOM 1197 CA PRO A 72 10.064 -0.994 10.228 1.00 0.00 C ATOM 1198 C PRO A 72 10.590 -2.386 10.548 1.00 0.00 C ATOM 1199 O PRO A 72 10.163 -3.022 11.505 1.00 0.00 O ATOM 1200 CB PRO A 72 10.952 0.068 10.873 1.00 0.00 C ATOM 1201 CG PRO A 72 10.323 0.335 12.199 1.00 0.00 C ATOM 1202 CD PRO A 72 8.844 0.080 12.039 1.00 0.00 C ATOM 0 HA PRO A 72 10.036 -0.955 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.976 -0.287 10.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.993 0.972 10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.747 -0.314 12.966 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.506 1.362 12.514 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.437 -0.454 12.898 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.286 1.012 11.949 1.00 0.00 H new ATOM 1210 N LEU A 73 11.471 -2.870 9.711 1.00 0.00 N ATOM 1211 CA LEU A 73 12.131 -4.087 9.909 1.00 0.00 C ATOM 1212 C LEU A 73 13.469 -3.887 10.546 1.00 0.00 C ATOM 1213 O LEU A 73 13.899 -2.758 10.788 1.00 0.00 O ATOM 1214 CB LEU A 73 12.387 -4.777 8.584 1.00 0.00 C ATOM 1215 CG LEU A 73 12.619 -3.964 7.308 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.378 -4.814 6.298 1.00 0.00 C ATOM 1217 CD2 LEU A 73 11.295 -3.592 6.704 1.00 0.00 C ATOM 0 H LEU A 73 11.742 -2.394 8.851 1.00 0.00 H new ATOM 0 HA LEU A 73 11.486 -4.685 10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.259 -5.416 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.537 -5.433 8.395 1.00 0.00 H new ATOM 0 HG LEU A 73 13.188 -3.068 7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.544 -4.237 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.338 -5.110 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.796 -5.704 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.459 -3.013 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.738 -4.497 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.725 -2.995 7.416 1.00 0.00 H new ATOM 1229 N SER A 74 14.125 -4.987 10.789 1.00 0.00 N ATOM 1230 CA SER A 74 15.481 -4.985 11.190 1.00 0.00 C ATOM 1231 C SER A 74 16.297 -4.576 10.039 1.00 0.00 C ATOM 1232 O SER A 74 16.082 -5.077 8.915 1.00 0.00 O ATOM 1233 CB SER A 74 15.930 -6.363 11.505 1.00 0.00 C ATOM 1234 OG SER A 74 15.252 -6.910 12.620 1.00 0.00 O ATOM 0 H SER A 74 13.716 -5.918 10.709 1.00 0.00 H new ATOM 0 HA SER A 74 15.583 -4.327 12.053 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.770 -7.002 10.637 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.002 -6.357 11.702 1.00 0.00 H new ATOM 0 HG SER A 74 15.579 -7.818 12.789 1.00 0.00 H new ATOM 1240 N GLY A 75 17.202 -3.699 10.259 1.00 0.00 N ATOM 1241 CA GLY A 75 18.057 -3.369 9.207 1.00 0.00 C ATOM 1242 C GLY A 75 17.409 -2.387 8.243 1.00 0.00 C ATOM 1243 O GLY A 75 17.854 -2.206 7.107 1.00 0.00 O ATOM 0 H GLY A 75 17.362 -3.211 11.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.974 -2.936 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.339 -4.274 8.670 1.00 0.00 H new ATOM 1247 N SER A 76 16.332 -1.784 8.705 1.00 0.00 N ATOM 1248 CA SER A 76 15.643 -0.754 7.991 1.00 0.00 C ATOM 1249 C SER A 76 16.371 0.545 8.117 1.00 0.00 C ATOM 1250 O SER A 76 16.900 0.907 9.180 1.00 0.00 O ATOM 1251 CB SER A 76 14.239 -0.588 8.571 1.00 0.00 C ATOM 1252 OG SER A 76 13.545 0.468 7.949 1.00 0.00 O ATOM 0 H SER A 76 15.911 -2.008 9.607 1.00 0.00 H new ATOM 0 HA SER A 76 15.588 -1.035 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.680 -1.516 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.307 -0.399 9.642 1.00 0.00 H new ATOM 0 HG SER A 76 12.584 0.276 7.954 1.00 0.00 H new ATOM 1258 N ASP A 77 16.406 1.204 7.024 1.00 0.00 N ATOM 1259 CA ASP A 77 16.882 2.502 6.878 1.00 0.00 C ATOM 1260 C ASP A 77 15.670 3.356 6.853 1.00 0.00 C ATOM 1261 O ASP A 77 15.509 4.270 7.656 1.00 0.00 O ATOM 1262 CB ASP A 77 17.718 2.679 5.571 1.00 0.00 C ATOM 1263 CG ASP A 77 17.257 1.836 4.357 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.080 1.396 4.312 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.078 1.582 3.447 1.00 0.00 O ATOM 0 H ASP A 77 16.073 0.808 6.145 1.00 0.00 H new ATOM 0 HA ASP A 77 17.559 2.767 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.696 3.731 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.756 2.429 5.790 1.00 0.00 H new ATOM 1270 N ARG A 78 14.799 2.989 5.953 1.00 0.00 N ATOM 1271 CA ARG A 78 13.515 3.581 5.745 1.00 0.00 C ATOM 1272 C ARG A 78 12.609 2.582 5.031 1.00 0.00 C ATOM 1273 O ARG A 78 11.780 2.930 4.218 1.00 0.00 O ATOM 1274 CB ARG A 78 13.625 4.944 5.029 1.00 0.00 C ATOM 1275 CG ARG A 78 13.861 6.117 5.979 1.00 0.00 C ATOM 1276 CD ARG A 78 12.651 6.354 6.873 1.00 0.00 C ATOM 1277 NE ARG A 78 13.011 6.908 8.194 1.00 0.00 N ATOM 1278 CZ ARG A 78 12.295 7.818 8.883 1.00 0.00 C ATOM 1279 NH1 ARG A 78 11.436 8.610 8.266 1.00 0.00 N ATOM 1280 NH2 ARG A 78 12.538 8.005 10.173 1.00 0.00 N ATOM 0 H ARG A 78 14.983 2.221 5.308 1.00 0.00 H new ATOM 0 HA ARG A 78 13.055 3.808 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.441 4.901 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.710 5.123 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.738 5.919 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.073 7.018 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.965 7.037 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.119 5.413 7.012 1.00 0.00 H new ATOM 0 HE ARG A 78 13.875 6.573 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.309 8.537 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.900 9.295 8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.264 7.461 10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.999 8.693 10.699 1.00 0.00 H new ATOM 1294 N ALA A 79 12.716 1.363 5.476 1.00 0.00 N ATOM 1295 CA ALA A 79 12.007 0.212 4.938 1.00 0.00 C ATOM 1296 C ALA A 79 10.922 -0.199 5.931 1.00 0.00 C ATOM 1297 O ALA A 79 11.139 -0.130 7.154 1.00 0.00 O ATOM 1298 CB ALA A 79 12.995 -0.919 4.834 1.00 0.00 C ATOM 0 H ALA A 79 13.324 1.122 6.258 1.00 0.00 H new ATOM 0 HA ALA A 79 11.566 0.446 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.497 -1.802 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.810 -0.630 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.394 -1.146 5.823 1.00 0.00 H new ATOM 1304 N TRP A 80 9.780 -0.660 5.455 1.00 0.00 N ATOM 1305 CA TRP A 80 8.655 -0.889 6.332 1.00 0.00 C ATOM 1306 C TRP A 80 7.956 -2.137 5.917 1.00 0.00 C ATOM 1307 O TRP A 80 8.168 -2.646 4.804 1.00 0.00 O ATOM 1308 CB TRP A 80 7.657 0.310 6.321 1.00 0.00 C ATOM 1309 CG TRP A 80 8.352 1.625 6.499 1.00 0.00 C ATOM 1310 CD1 TRP A 80 8.877 2.401 5.513 1.00 0.00 C ATOM 1311 CD2 TRP A 80 8.636 2.294 7.728 1.00 0.00 C ATOM 1312 NE1 TRP A 80 9.517 3.473 6.053 1.00 0.00 N ATOM 1313 CE2 TRP A 80 9.373 3.441 7.412 1.00 0.00 C ATOM 1314 CE3 TRP A 80 8.353 2.033 9.059 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 9.834 4.316 8.386 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 8.805 2.914 10.019 1.00 0.00 C ATOM 1317 CH2 TRP A 80 9.537 4.037 9.676 1.00 0.00 C ATOM 0 H TRP A 80 9.611 -0.881 4.474 1.00 0.00 H new ATOM 0 HA TRP A 80 9.032 -0.991 7.350 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.108 0.315 5.379 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.924 0.178 7.117 1.00 0.00 H new ATOM 0 HD1 TRP A 80 8.797 2.196 4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 80 10.023 4.186 5.528 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.789 1.156 9.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.411 5.190 8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.583 2.724 11.059 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.878 4.704 10.454 1.00 0.00 H new ATOM 1328 N MET A 81 7.196 -2.650 6.805 1.00 0.00 N ATOM 1329 CA MET A 81 6.423 -3.749 6.604 1.00 0.00 C ATOM 1330 C MET A 81 5.088 -3.368 6.954 1.00 0.00 C ATOM 1331 O MET A 81 4.868 -2.425 7.727 1.00 0.00 O ATOM 1332 CB MET A 81 6.878 -4.983 7.389 1.00 0.00 C ATOM 1333 CG MET A 81 6.681 -5.026 8.907 1.00 0.00 C ATOM 1334 SD MET A 81 5.000 -5.514 9.389 1.00 0.00 S ATOM 1335 CE MET A 81 5.185 -5.718 11.154 1.00 0.00 C ATOM 0 H MET A 81 7.112 -2.266 7.746 1.00 0.00 H new ATOM 0 HA MET A 81 6.499 -4.059 5.562 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.362 -5.846 6.968 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.941 -5.121 7.194 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.395 -5.726 9.341 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.902 -4.044 9.325 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.975 -6.753 11.425 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.205 -5.467 11.444 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.488 -5.059 11.671 1.00 0.00 H new ATOM 1345 N TRP A 82 4.238 -4.034 6.406 1.00 0.00 N ATOM 1346 CA TRP A 82 2.888 -3.805 6.574 1.00 0.00 C ATOM 1347 C TRP A 82 2.354 -5.150 6.846 1.00 0.00 C ATOM 1348 O TRP A 82 2.833 -6.142 6.243 1.00 0.00 O ATOM 1349 CB TRP A 82 2.225 -3.295 5.278 1.00 0.00 C ATOM 1350 CG TRP A 82 2.805 -2.051 4.695 1.00 0.00 C ATOM 1351 CD1 TRP A 82 2.347 -0.783 4.850 1.00 0.00 C ATOM 1352 CD2 TRP A 82 3.944 -1.968 3.843 1.00 0.00 C ATOM 1353 NE1 TRP A 82 3.150 0.090 4.155 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.139 -0.619 3.533 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.823 -2.912 3.322 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 5.176 -0.187 2.726 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.847 -2.486 2.524 1.00 0.00 C ATOM 1358 CH2 TRP A 82 6.021 -1.132 2.230 1.00 0.00 C ATOM 0 H TRP A 82 4.451 -4.812 5.781 1.00 0.00 H new ATOM 0 HA TRP A 82 2.703 -3.060 7.348 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.282 -4.085 4.529 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.168 -3.121 5.478 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.482 -0.502 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.028 1.102 4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.698 -3.962 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.310 0.860 2.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.535 -3.210 2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.842 -0.829 1.597 1.00 0.00 H new ATOM 1369 N LEU A 83 1.430 -5.271 7.691 1.00 0.00 N ATOM 1370 CA LEU A 83 0.912 -6.559 7.842 1.00 0.00 C ATOM 1371 C LEU A 83 -0.371 -6.614 7.092 1.00 0.00 C ATOM 1372 O LEU A 83 -1.294 -5.853 7.355 1.00 0.00 O ATOM 1373 CB LEU A 83 0.731 -6.975 9.302 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.038 -6.008 10.241 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -0.541 -6.772 11.447 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.877 -4.886 10.736 1.00 0.00 C ATOM 0 H LEU A 83 1.026 -4.534 8.269 1.00 0.00 H new ATOM 0 HA LEU A 83 1.627 -7.277 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.215 -7.935 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.721 -7.139 9.728 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.868 -5.578 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.081 -6.094 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.209 -7.569 11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.304 -7.204 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.315 -4.221 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.715 -5.315 11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.254 -4.321 9.883 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.460 -7.540 6.219 1.00 0.00 N ATOM 1389 CA ALA A 84 -1.567 -7.587 5.322 1.00 0.00 C ATOM 1390 C ALA A 84 -1.935 -8.969 5.046 1.00 0.00 C ATOM 1391 O ALA A 84 -1.139 -9.892 5.259 1.00 0.00 O ATOM 1392 CB ALA A 84 -1.212 -6.914 3.991 1.00 0.00 C ATOM 0 H ALA A 84 0.223 -8.288 6.098 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.398 -7.062 5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.070 -6.960 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.947 -5.872 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.367 -7.431 3.536 1.00 0.00 H new ATOM 1398 N SER A 85 -3.114 -9.146 4.615 1.00 0.00 N ATOM 1399 CA SER A 85 -3.470 -10.305 4.045 1.00 0.00 C ATOM 1400 C SER A 85 -3.151 -10.161 2.636 1.00 0.00 C ATOM 1401 O SER A 85 -3.739 -9.357 1.912 1.00 0.00 O ATOM 1402 CB SER A 85 -4.882 -10.525 4.232 1.00 0.00 C ATOM 1403 OG SER A 85 -5.366 -9.818 5.388 1.00 0.00 O ATOM 0 H SER A 85 -3.856 -8.448 4.666 1.00 0.00 H new ATOM 0 HA SER A 85 -2.950 -11.158 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.425 -10.196 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.075 -11.592 4.346 1.00 0.00 H new ATOM 0 HG SER A 85 -6.327 -9.981 5.493 1.00 0.00 H new ATOM 1409 N ASP A 86 -2.194 -10.868 2.276 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.778 -10.876 0.987 1.00 0.00 C ATOM 1411 C ASP A 86 -2.413 -12.077 0.379 1.00 0.00 C ATOM 1412 O ASP A 86 -2.586 -13.057 1.078 1.00 0.00 O ATOM 1413 CB ASP A 86 -0.238 -10.801 0.875 1.00 0.00 C ATOM 1414 CG ASP A 86 0.302 -11.404 -0.362 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.217 -11.102 -1.452 1.00 0.00 O ATOM 1416 OD2 ASP A 86 1.279 -12.184 -0.272 1.00 0.00 O ATOM 0 H ASP A 86 -1.664 -11.477 2.899 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.087 -9.990 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.070 -9.756 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.204 -11.303 1.736 1.00 0.00 H new ATOM 1421 N PHE A 87 -2.863 -11.968 -0.848 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.592 -13.022 -1.553 1.00 0.00 C ATOM 1423 C PHE A 87 -4.049 -12.412 -2.837 1.00 0.00 C ATOM 1424 O PHE A 87 -5.141 -11.870 -2.928 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.743 -13.449 -0.687 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.642 -14.623 -1.038 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -6.649 -14.497 -1.987 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -5.536 -15.821 -0.345 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -7.513 -15.545 -2.250 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.406 -16.868 -0.593 1.00 0.00 C ATOM 1431 CZ PHE A 87 -7.393 -16.730 -1.550 1.00 0.00 C ATOM 0 H PHE A 87 -2.734 -11.125 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.991 -13.907 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.329 -13.658 0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.393 -12.580 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.759 -13.568 -2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.762 -15.938 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.281 -15.437 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.314 -17.791 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.070 -17.547 -1.751 1.00 0.00 H new ATOM 1441 N SER A 88 -3.140 -12.388 -3.795 1.00 0.00 N ATOM 1442 CA SER A 88 -3.384 -11.795 -5.065 1.00 0.00 C ATOM 1443 C SER A 88 -4.444 -12.601 -5.750 1.00 0.00 C ATOM 1444 O SER A 88 -5.348 -12.056 -6.407 1.00 0.00 O ATOM 1445 CB SER A 88 -2.074 -11.755 -5.860 1.00 0.00 C ATOM 1446 OG SER A 88 -2.242 -11.215 -7.149 1.00 0.00 O ATOM 0 H SER A 88 -2.207 -12.788 -3.696 1.00 0.00 H new ATOM 0 HA SER A 88 -3.736 -10.768 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.340 -11.163 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.672 -12.765 -5.942 1.00 0.00 H new ATOM 0 HG SER A 88 -1.835 -11.813 -7.810 1.00 0.00 H new ATOM 1452 N ASP A 89 -4.375 -13.910 -5.540 1.00 0.00 N ATOM 1453 CA ASP A 89 -5.355 -14.758 -5.987 1.00 0.00 C ATOM 1454 C ASP A 89 -5.295 -16.001 -5.148 1.00 0.00 C ATOM 1455 O ASP A 89 -5.967 -16.975 -5.421 1.00 0.00 O ATOM 1456 CB ASP A 89 -5.208 -15.059 -7.481 1.00 0.00 C ATOM 1457 CG ASP A 89 -6.365 -15.861 -8.055 1.00 0.00 C ATOM 1458 OD1 ASP A 89 -7.498 -15.365 -8.063 1.00 0.00 O ATOM 1459 OD2 ASP A 89 -6.165 -17.015 -8.490 1.00 0.00 O ATOM 0 H ASP A 89 -3.611 -14.370 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.334 -14.291 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.122 -14.119 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.280 -15.608 -7.643 1.00 0.00 H new ATOM 1464 N GLY A 90 -4.524 -15.967 -4.039 1.00 0.00 N ATOM 1465 CA GLY A 90 -4.503 -17.169 -3.302 1.00 0.00 C ATOM 1466 C GLY A 90 -3.205 -17.860 -3.118 1.00 0.00 C ATOM 1467 O GLY A 90 -3.126 -18.869 -2.430 1.00 0.00 O ATOM 0 H GLY A 90 -3.971 -15.185 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.911 -16.959 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.185 -17.867 -3.786 1.00 0.00 H new ATOM 1471 N ASP A 91 -2.198 -17.332 -3.673 1.00 0.00 N ATOM 1472 CA ASP A 91 -0.839 -17.954 -3.513 1.00 0.00 C ATOM 1473 C ASP A 91 -0.179 -17.357 -2.307 1.00 0.00 C ATOM 1474 O ASP A 91 0.704 -17.890 -1.640 1.00 0.00 O ATOM 1475 CB ASP A 91 -0.006 -17.722 -4.756 1.00 0.00 C ATOM 1476 CG ASP A 91 1.401 -18.251 -4.646 1.00 0.00 C ATOM 1477 OD1 ASP A 91 2.299 -17.509 -4.194 1.00 0.00 O ATOM 1478 OD2 ASP A 91 1.638 -19.409 -5.010 1.00 0.00 O ATOM 0 H ASP A 91 -2.224 -16.487 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.935 -19.031 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.498 -18.195 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 91 0.032 -16.653 -4.964 1.00 0.00 H new ATOM 1483 N ALA A 92 -0.702 -16.309 -2.085 1.00 0.00 N ATOM 1484 CA ALA A 92 -0.408 -15.344 -1.145 1.00 0.00 C ATOM 1485 C ALA A 92 -1.351 -15.513 0.076 1.00 0.00 C ATOM 1486 O ALA A 92 -2.484 -15.975 -0.078 1.00 0.00 O ATOM 1487 CB ALA A 92 -0.523 -14.064 -1.857 1.00 0.00 C ATOM 0 H ALA A 92 -1.503 -16.021 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 92 0.594 -15.414 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.303 -13.245 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.185 -14.044 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.536 -13.952 -2.242 1.00 0.00 H new ATOM 1493 N LYS A 93 -0.836 -15.234 1.264 1.00 0.00 N ATOM 1494 CA LYS A 93 -1.459 -15.534 2.548 1.00 0.00 C ATOM 1495 C LYS A 93 -1.208 -14.299 3.431 1.00 0.00 C ATOM 1496 O LYS A 93 -0.468 -13.409 3.020 1.00 0.00 O ATOM 1497 CB LYS A 93 -0.820 -16.784 3.176 1.00 0.00 C ATOM 1498 CG LYS A 93 -1.643 -17.430 4.284 1.00 0.00 C ATOM 1499 CD LYS A 93 -0.970 -18.685 4.819 1.00 0.00 C ATOM 1500 CE LYS A 93 -1.805 -19.333 5.911 1.00 0.00 C ATOM 1501 NZ LYS A 93 -1.153 -20.529 6.484 1.00 0.00 N ATOM 0 H LYS A 93 0.068 -14.772 1.366 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.524 -15.741 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.649 -17.521 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.157 -16.514 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.784 -16.717 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.633 -17.681 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.817 -19.394 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.015 -18.433 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.988 -18.607 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.777 -19.612 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.761 -20.935 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.001 -21.234 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.237 -20.261 6.897 1.00 0.00 H new ATOM 1515 N LEU A 94 -1.775 -14.238 4.613 1.00 0.00 N ATOM 1516 CA LEU A 94 -1.550 -13.083 5.468 1.00 0.00 C ATOM 1517 C LEU A 94 -0.276 -13.239 6.237 1.00 0.00 C ATOM 1518 O LEU A 94 -0.069 -14.203 6.983 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.729 -12.724 6.399 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.059 -13.663 7.586 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -4.164 -13.073 8.437 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -3.451 -15.055 7.126 1.00 0.00 C ATOM 0 H LEU A 94 -2.385 -14.956 5.004 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.465 -12.232 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.536 -11.732 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.624 -12.646 5.782 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.150 -13.755 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.383 -13.746 9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.846 -12.107 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.060 -12.941 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.673 -15.676 7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.333 -14.993 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.629 -15.498 6.564 1.00 0.00 H new ATOM 1534 N GLU A 95 0.542 -12.292 6.050 1.00 0.00 N ATOM 1535 CA GLU A 95 1.822 -12.238 6.504 1.00 0.00 C ATOM 1536 C GLU A 95 2.110 -10.861 6.847 1.00 0.00 C ATOM 1537 O GLU A 95 1.359 -9.923 6.512 1.00 0.00 O ATOM 1538 CB GLU A 95 2.809 -12.763 5.474 1.00 0.00 C ATOM 1539 CG GLU A 95 2.746 -14.251 5.170 1.00 0.00 C ATOM 1540 CD GLU A 95 3.953 -14.739 4.396 1.00 0.00 C ATOM 1541 OE1 GLU A 95 4.194 -14.287 3.256 1.00 0.00 O ATOM 1542 OE2 GLU A 95 4.678 -15.610 4.915 1.00 0.00 O ATOM 0 H GLU A 95 0.285 -11.460 5.518 1.00 0.00 H new ATOM 0 HA GLU A 95 1.928 -12.878 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.653 -12.218 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.817 -12.527 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.670 -14.806 6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.842 -14.463 4.599 1.00 0.00 H new ATOM 1549 N GLN A 96 3.121 -10.740 7.516 1.00 0.00 N ATOM 1550 CA GLN A 96 3.634 -9.539 7.811 1.00 0.00 C ATOM 1551 C GLN A 96 4.710 -9.451 6.783 1.00 0.00 C ATOM 1552 O GLN A 96 5.646 -10.245 6.753 1.00 0.00 O ATOM 1553 CB GLN A 96 4.194 -9.476 9.233 1.00 0.00 C ATOM 1554 CG GLN A 96 3.171 -9.796 10.311 1.00 0.00 C ATOM 1555 CD GLN A 96 3.734 -9.723 11.717 1.00 0.00 C ATOM 1556 OE1 GLN A 96 4.919 -9.964 11.954 1.00 0.00 O ATOM 1557 NE2 GLN A 96 2.887 -9.412 12.663 1.00 0.00 N ATOM 0 H GLN A 96 3.647 -11.526 7.897 1.00 0.00 H new ATOM 0 HA GLN A 96 2.912 -8.723 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.027 -10.175 9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.596 -8.479 9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.335 -9.101 10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.773 -10.796 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.913 -9.218 12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.201 -9.363 13.632 1.00 0.00 H new ATOM 1566 N LEU A 97 4.535 -8.573 5.938 1.00 0.00 N ATOM 1567 CA LEU A 97 5.344 -8.493 4.762 1.00 0.00 C ATOM 1568 C LEU A 97 6.006 -7.163 4.650 1.00 0.00 C ATOM 1569 O LEU A 97 5.377 -6.134 4.847 1.00 0.00 O ATOM 1570 CB LEU A 97 4.446 -8.731 3.566 1.00 0.00 C ATOM 1571 CG LEU A 97 4.848 -9.820 2.598 1.00 0.00 C ATOM 1572 CD1 LEU A 97 4.927 -11.142 3.311 1.00 0.00 C ATOM 1573 CD2 LEU A 97 3.834 -9.903 1.487 1.00 0.00 C ATOM 0 H LEU A 97 3.818 -7.851 6.007 1.00 0.00 H new ATOM 0 HA LEU A 97 6.133 -9.244 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.447 -8.962 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.372 -7.797 3.010 1.00 0.00 H new ATOM 0 HG LEU A 97 5.827 -9.584 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.217 -11.920 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.667 -11.082 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.953 -11.384 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.123 -10.688 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.854 -10.132 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.790 -8.949 0.962 1.00 0.00 H new ATOM 1585 N ALA A 98 7.242 -7.180 4.273 1.00 0.00 N ATOM 1586 CA ALA A 98 8.012 -5.977 4.193 1.00 0.00 C ATOM 1587 C ALA A 98 8.440 -5.688 2.805 1.00 0.00 C ATOM 1588 O ALA A 98 8.369 -6.553 1.937 1.00 0.00 O ATOM 1589 CB ALA A 98 9.214 -6.015 5.112 1.00 0.00 C ATOM 0 H ALA A 98 7.749 -8.026 4.011 1.00 0.00 H new ATOM 0 HA ALA A 98 7.357 -5.171 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.771 -5.083 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.881 -6.139 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.857 -6.851 4.836 1.00 0.00 H new ATOM 1595 N ALA A 99 8.827 -4.475 2.582 1.00 0.00 N ATOM 1596 CA ALA A 99 9.387 -4.076 1.345 1.00 0.00 C ATOM 1597 C ALA A 99 10.459 -3.064 1.624 1.00 0.00 C ATOM 1598 O ALA A 99 10.344 -2.275 2.575 1.00 0.00 O ATOM 1599 CB ALA A 99 8.336 -3.521 0.402 1.00 0.00 C ATOM 0 H ALA A 99 8.759 -3.725 3.270 1.00 0.00 H new ATOM 0 HA ALA A 99 9.815 -4.944 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.808 -3.227 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.584 -4.285 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.861 -2.652 0.858 1.00 0.00 H new ATOM 1605 N LYS A 100 11.494 -3.091 0.856 1.00 0.00 N ATOM 1606 CA LYS A 100 12.551 -2.225 1.027 1.00 0.00 C ATOM 1607 C LYS A 100 12.986 -1.773 -0.290 1.00 0.00 C ATOM 1608 O LYS A 100 12.935 -2.492 -1.299 1.00 0.00 O ATOM 1609 CB LYS A 100 13.724 -2.856 1.764 1.00 0.00 C ATOM 1610 CG LYS A 100 14.872 -1.903 2.067 1.00 0.00 C ATOM 1611 CD LYS A 100 16.032 -2.569 2.783 1.00 0.00 C ATOM 1612 CE LYS A 100 17.059 -1.529 3.222 1.00 0.00 C ATOM 1613 NZ LYS A 100 17.539 -0.677 2.101 1.00 0.00 N ATOM 0 H LYS A 100 11.607 -3.742 0.079 1.00 0.00 H new ATOM 0 HA LYS A 100 12.209 -1.393 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.362 -3.277 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.106 -3.685 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.231 -1.469 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.501 -1.081 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.665 -3.115 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.503 -3.298 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.619 -0.894 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.910 -2.036 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.141 0.084 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.088 -1.257 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.724 -0.261 1.607 1.00 0.00 H new ATOM 1627 N PHE A 101 13.351 -0.620 -0.261 1.00 0.00 N ATOM 1628 CA PHE A 101 13.883 0.081 -1.349 1.00 0.00 C ATOM 1629 C PHE A 101 15.366 0.205 -1.120 1.00 0.00 C ATOM 1630 O PHE A 101 15.825 0.173 0.025 1.00 0.00 O ATOM 1631 CB PHE A 101 13.220 1.428 -1.482 1.00 0.00 C ATOM 1632 CG PHE A 101 11.756 1.354 -1.821 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.798 1.285 -0.822 1.00 0.00 C ATOM 1634 CD2 PHE A 101 11.343 1.353 -3.144 1.00 0.00 C ATOM 1635 CE1 PHE A 101 9.460 1.210 -1.137 1.00 0.00 C ATOM 1636 CE2 PHE A 101 10.006 1.280 -3.466 1.00 0.00 C ATOM 1637 CZ PHE A 101 9.061 1.209 -2.459 1.00 0.00 C ATOM 0 H PHE A 101 13.297 -0.054 0.586 1.00 0.00 H new ATOM 0 HA PHE A 101 13.700 -0.447 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 101 13.340 1.975 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.734 2.001 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.104 1.290 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.079 1.410 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.722 1.152 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.697 1.278 -4.501 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.011 1.153 -2.706 1.00 0.00 H new ATOM 1647 N LYS A 102 16.093 0.367 -2.176 1.00 0.00 N ATOM 1648 CA LYS A 102 17.542 0.297 -2.139 1.00 0.00 C ATOM 1649 C LYS A 102 18.190 1.393 -1.303 1.00 0.00 C ATOM 1650 O LYS A 102 19.125 1.137 -0.551 1.00 0.00 O ATOM 1651 CB LYS A 102 18.139 0.220 -3.559 1.00 0.00 C ATOM 1652 CG LYS A 102 17.777 -1.070 -4.322 1.00 0.00 C ATOM 1653 CD LYS A 102 16.336 -1.101 -4.875 1.00 0.00 C ATOM 1654 CE LYS A 102 16.199 -0.237 -6.121 1.00 0.00 C ATOM 1655 NZ LYS A 102 14.891 -0.419 -6.798 1.00 0.00 N ATOM 0 H LYS A 102 15.709 0.554 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 102 17.783 -0.633 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.794 1.079 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.224 0.297 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.474 -1.195 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.916 -1.922 -3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.057 -2.128 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.644 -0.750 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.320 0.811 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.002 -0.479 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.778 0.306 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.853 -1.363 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.124 -0.328 -6.102 1.00 0.00 H new ATOM 1669 N THR A 103 17.679 2.575 -1.403 1.00 0.00 N ATOM 1670 CA THR A 103 18.218 3.699 -0.691 1.00 0.00 C ATOM 1671 C THR A 103 17.106 4.298 0.148 1.00 0.00 C ATOM 1672 O THR A 103 15.926 4.085 -0.184 1.00 0.00 O ATOM 1673 CB THR A 103 18.671 4.763 -1.716 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.543 5.101 -2.558 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.792 4.236 -2.592 1.00 0.00 C ATOM 0 H THR A 103 16.870 2.796 -1.984 1.00 0.00 H new ATOM 0 HA THR A 103 19.057 3.390 -0.068 1.00 0.00 H new ATOM 0 HB THR A 103 19.034 5.637 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.865 5.512 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.090 5.006 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.645 3.967 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.447 3.355 -3.134 1.00 0.00 H new ATOM 1683 N PRO A 104 17.411 5.072 1.233 1.00 0.00 N ATOM 1684 CA PRO A 104 16.385 5.798 1.987 1.00 0.00 C ATOM 1685 C PRO A 104 15.759 6.873 1.159 1.00 0.00 C ATOM 1686 O PRO A 104 14.925 7.499 1.561 1.00 0.00 O ATOM 1687 CB PRO A 104 17.119 6.451 3.139 1.00 0.00 C ATOM 1688 CG PRO A 104 18.387 5.678 3.261 1.00 0.00 C ATOM 1689 CD PRO A 104 18.737 5.243 1.854 1.00 0.00 C ATOM 0 HA PRO A 104 15.593 5.120 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.314 7.504 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.536 6.404 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.180 6.291 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.259 4.817 3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.335 5.992 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.311 4.316 1.847 1.00 0.00 H new ATOM 1697 N GLU A 105 16.254 7.089 0.041 1.00 0.00 N ATOM 1698 CA GLU A 105 15.694 8.023 -0.883 1.00 0.00 C ATOM 1699 C GLU A 105 14.399 7.429 -1.391 1.00 0.00 C ATOM 1700 O GLU A 105 13.344 8.046 -1.363 1.00 0.00 O ATOM 1701 CB GLU A 105 16.676 8.320 -2.009 1.00 0.00 C ATOM 1702 CG GLU A 105 16.233 9.417 -2.947 1.00 0.00 C ATOM 1703 CD GLU A 105 17.264 9.715 -3.996 1.00 0.00 C ATOM 1704 OE1 GLU A 105 18.274 10.369 -3.679 1.00 0.00 O ATOM 1705 OE2 GLU A 105 17.072 9.324 -5.162 1.00 0.00 O ATOM 0 H GLU A 105 17.092 6.620 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 105 15.491 8.980 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.637 8.596 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.837 7.409 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.300 9.126 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.027 10.321 -2.375 1.00 0.00 H new ATOM 1712 N LEU A 106 14.507 6.181 -1.787 1.00 0.00 N ATOM 1713 CA LEU A 106 13.406 5.441 -2.295 1.00 0.00 C ATOM 1714 C LEU A 106 12.527 5.062 -1.152 1.00 0.00 C ATOM 1715 O LEU A 106 11.333 5.291 -1.154 1.00 0.00 O ATOM 1716 CB LEU A 106 13.916 4.226 -3.050 1.00 0.00 C ATOM 1717 CG LEU A 106 14.709 4.496 -4.327 1.00 0.00 C ATOM 1718 CD1 LEU A 106 15.132 3.184 -4.958 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.891 5.325 -5.309 1.00 0.00 C ATOM 0 H LEU A 106 15.381 5.656 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 106 12.823 6.038 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.545 3.645 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.061 3.601 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 106 15.601 5.067 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.697 3.384 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.756 2.628 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.247 2.596 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.477 5.504 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.980 4.786 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.630 6.279 -4.851 1.00 0.00 H new ATOM 1731 N ALA A 107 13.171 4.574 -0.144 1.00 0.00 N ATOM 1732 CA ALA A 107 12.552 4.118 1.057 1.00 0.00 C ATOM 1733 C ALA A 107 11.908 5.281 1.838 1.00 0.00 C ATOM 1734 O ALA A 107 10.778 5.145 2.315 1.00 0.00 O ATOM 1735 CB ALA A 107 13.610 3.401 1.861 1.00 0.00 C ATOM 0 H ALA A 107 14.186 4.478 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 107 11.734 3.434 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.175 3.036 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.996 2.559 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.424 4.090 2.087 1.00 0.00 H new ATOM 1741 N GLU A 108 12.583 6.441 1.942 1.00 0.00 N ATOM 1742 CA GLU A 108 11.974 7.552 2.734 1.00 0.00 C ATOM 1743 C GLU A 108 10.761 8.125 2.021 1.00 0.00 C ATOM 1744 O GLU A 108 9.683 8.248 2.613 1.00 0.00 O ATOM 1745 CB GLU A 108 12.979 8.666 3.053 1.00 0.00 C ATOM 1746 CG GLU A 108 12.416 9.833 3.838 1.00 0.00 C ATOM 1747 CD GLU A 108 12.187 9.533 5.274 1.00 0.00 C ATOM 1748 OE1 GLU A 108 11.114 9.014 5.634 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.079 9.834 6.089 1.00 0.00 O ATOM 0 H GLU A 108 13.491 6.639 1.522 1.00 0.00 H new ATOM 0 HA GLU A 108 11.657 7.120 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.808 8.236 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.390 9.043 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.101 10.677 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.474 10.142 3.386 1.00 0.00 H new ATOM 1756 N GLU A 109 10.932 8.425 0.747 1.00 0.00 N ATOM 1757 CA GLU A 109 9.861 8.998 -0.070 1.00 0.00 C ATOM 1758 C GLU A 109 8.630 8.114 -0.083 1.00 0.00 C ATOM 1759 O GLU A 109 7.503 8.595 0.085 1.00 0.00 O ATOM 1760 CB GLU A 109 10.338 9.243 -1.491 1.00 0.00 C ATOM 1761 CG GLU A 109 11.247 10.448 -1.655 1.00 0.00 C ATOM 1762 CD GLU A 109 10.512 11.740 -1.430 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.721 12.144 -2.306 1.00 0.00 O ATOM 1764 OE2 GLU A 109 10.706 12.386 -0.394 1.00 0.00 O ATOM 0 H GLU A 109 11.809 8.282 0.245 1.00 0.00 H new ATOM 0 HA GLU A 109 9.587 9.951 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.866 8.356 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.468 9.371 -2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.077 10.375 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.677 10.445 -2.657 1.00 0.00 H new ATOM 1771 N PHE A 110 8.839 6.822 -0.235 1.00 0.00 N ATOM 1772 CA PHE A 110 7.788 5.903 -0.264 1.00 0.00 C ATOM 1773 C PHE A 110 7.086 5.759 1.069 1.00 0.00 C ATOM 1774 O PHE A 110 5.896 5.588 1.085 1.00 0.00 O ATOM 1775 CB PHE A 110 8.252 4.596 -0.815 1.00 0.00 C ATOM 1776 CG PHE A 110 8.077 4.478 -2.302 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.890 3.997 -2.826 1.00 0.00 C ATOM 1778 CD2 PHE A 110 9.088 4.837 -3.175 1.00 0.00 C ATOM 1779 CE1 PHE A 110 6.713 3.872 -4.183 1.00 0.00 C ATOM 1780 CE2 PHE A 110 8.919 4.712 -4.536 1.00 0.00 C ATOM 1781 CZ PHE A 110 7.728 4.228 -5.039 1.00 0.00 C ATOM 0 H PHE A 110 9.764 6.405 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 110 7.029 6.299 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 110 9.305 4.460 -0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 110 7.704 3.790 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 110 6.090 3.715 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 110 10.020 5.219 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.780 3.495 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 110 9.716 4.992 -5.208 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.594 4.129 -6.106 1.00 0.00 H new ATOM 1791 N LYS A 111 7.814 5.893 2.179 1.00 0.00 N ATOM 1792 CA LYS A 111 7.213 5.822 3.535 1.00 0.00 C ATOM 1793 C LYS A 111 6.121 6.840 3.632 1.00 0.00 C ATOM 1794 O LYS A 111 4.964 6.543 3.953 1.00 0.00 O ATOM 1795 CB LYS A 111 8.252 6.267 4.548 1.00 0.00 C ATOM 1796 CG LYS A 111 7.736 6.406 5.981 1.00 0.00 C ATOM 1797 CD LYS A 111 8.770 7.089 6.844 1.00 0.00 C ATOM 1798 CE LYS A 111 8.304 7.270 8.283 1.00 0.00 C ATOM 1799 NZ LYS A 111 7.227 8.258 8.420 1.00 0.00 N ATOM 0 H LYS A 111 8.822 6.052 2.178 1.00 0.00 H new ATOM 0 HA LYS A 111 6.856 4.808 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.074 5.552 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.661 7.226 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.810 6.980 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 111 7.504 5.422 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.690 6.504 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 111 9.008 8.064 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.960 6.311 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.151 7.577 8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.035 8.424 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 7.515 9.151 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 6.367 7.900 7.958 1.00 0.00 H new ATOM 1813 N GLN A 112 6.527 8.020 3.312 1.00 0.00 N ATOM 1814 CA GLN A 112 5.705 9.211 3.335 1.00 0.00 C ATOM 1815 C GLN A 112 4.499 9.028 2.460 1.00 0.00 C ATOM 1816 O GLN A 112 3.375 9.244 2.888 1.00 0.00 O ATOM 1817 CB GLN A 112 6.487 10.303 2.735 1.00 0.00 C ATOM 1818 CG GLN A 112 7.848 10.561 3.398 1.00 0.00 C ATOM 1819 CD GLN A 112 7.753 10.948 4.864 1.00 0.00 C ATOM 1820 OE1 GLN A 112 6.782 11.565 5.298 1.00 0.00 O ATOM 1821 NE2 GLN A 112 8.746 10.580 5.640 1.00 0.00 N ATOM 0 H GLN A 112 7.484 8.204 3.011 1.00 0.00 H new ATOM 0 HA GLN A 112 5.403 9.418 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.649 10.078 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.898 11.219 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.461 9.664 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.361 11.354 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.537 10.069 5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.726 10.805 6.635 1.00 0.00 H new ATOM 1830 N LYS A 113 4.754 8.600 1.229 1.00 0.00 N ATOM 1831 CA LYS A 113 3.777 8.371 0.249 1.00 0.00 C ATOM 1832 C LYS A 113 2.806 7.323 0.704 1.00 0.00 C ATOM 1833 O LYS A 113 1.610 7.449 0.509 1.00 0.00 O ATOM 1834 CB LYS A 113 4.492 7.888 -0.984 1.00 0.00 C ATOM 1835 CG LYS A 113 5.013 8.965 -1.928 1.00 0.00 C ATOM 1836 CD LYS A 113 3.878 9.755 -2.559 1.00 0.00 C ATOM 1837 CE LYS A 113 4.394 10.823 -3.517 1.00 0.00 C ATOM 1838 NZ LYS A 113 5.264 11.817 -2.848 1.00 0.00 N ATOM 0 H LYS A 113 5.700 8.403 0.903 1.00 0.00 H new ATOM 0 HA LYS A 113 3.217 9.286 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.334 7.271 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.814 7.243 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.668 9.643 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.614 8.503 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.216 9.075 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.284 10.226 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.949 10.344 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.547 11.336 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.449 12.609 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.791 12.173 -1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.164 11.368 -2.584 1.00 0.00 H new ATOM 1852 N PHE A 114 3.326 6.331 1.345 1.00 0.00 N ATOM 1853 CA PHE A 114 2.492 5.209 1.807 1.00 0.00 C ATOM 1854 C PHE A 114 1.559 5.600 2.924 1.00 0.00 C ATOM 1855 O PHE A 114 0.357 5.360 2.827 1.00 0.00 O ATOM 1856 CB PHE A 114 3.273 3.935 2.172 1.00 0.00 C ATOM 1857 CG PHE A 114 3.833 3.187 0.992 1.00 0.00 C ATOM 1858 CD1 PHE A 114 3.048 2.928 -0.122 1.00 0.00 C ATOM 1859 CD2 PHE A 114 5.132 2.720 1.007 1.00 0.00 C ATOM 1860 CE1 PHE A 114 3.555 2.227 -1.191 1.00 0.00 C ATOM 1861 CE2 PHE A 114 5.642 2.021 -0.060 1.00 0.00 C ATOM 1862 CZ PHE A 114 4.851 1.773 -1.159 1.00 0.00 C ATOM 0 H PHE A 114 4.317 6.249 1.573 1.00 0.00 H new ATOM 0 HA PHE A 114 1.893 4.955 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.093 4.205 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 114 2.616 3.268 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.028 3.281 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 114 5.755 2.907 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.935 2.034 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 114 6.662 1.667 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 114 5.250 1.221 -1.997 1.00 0.00 H new ATOM 1872 N GLU A 115 2.088 6.208 3.972 1.00 0.00 N ATOM 1873 CA GLU A 115 1.252 6.655 5.083 1.00 0.00 C ATOM 1874 C GLU A 115 0.285 7.741 4.580 1.00 0.00 C ATOM 1875 O GLU A 115 -0.855 7.869 5.072 1.00 0.00 O ATOM 1876 CB GLU A 115 2.117 7.232 6.198 1.00 0.00 C ATOM 1877 CG GLU A 115 3.217 6.305 6.649 1.00 0.00 C ATOM 1878 CD GLU A 115 3.909 6.780 7.886 1.00 0.00 C ATOM 1879 OE1 GLU A 115 4.804 7.615 7.786 1.00 0.00 O ATOM 1880 OE2 GLU A 115 3.555 6.320 9.005 1.00 0.00 O ATOM 0 H GLU A 115 3.083 6.404 4.081 1.00 0.00 H new ATOM 0 HA GLU A 115 0.693 5.804 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.559 8.168 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.483 7.472 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.799 5.315 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.948 6.200 5.847 1.00 0.00 H new ATOM 1887 N GLU A 116 0.739 8.509 3.578 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.051 9.543 2.985 1.00 0.00 C ATOM 1889 C GLU A 116 -1.270 8.947 2.350 1.00 0.00 C ATOM 1890 O GLU A 116 -2.397 9.296 2.704 1.00 0.00 O ATOM 1891 CB GLU A 116 0.712 10.347 1.947 1.00 0.00 C ATOM 1892 CG GLU A 116 0.088 11.697 1.688 1.00 0.00 C ATOM 1893 CD GLU A 116 0.144 12.542 2.935 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -0.742 12.435 3.782 1.00 0.00 O ATOM 1895 OE2 GLU A 116 1.122 13.292 3.114 1.00 0.00 O ATOM 0 H GLU A 116 1.669 8.412 3.171 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.330 10.227 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.740 10.484 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.753 9.784 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.613 12.199 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.947 11.573 1.370 1.00 0.00 H new ATOM 1902 N CYS A 117 -1.036 7.985 1.484 1.00 0.00 N ATOM 1903 CA CYS A 117 -2.018 7.290 0.808 1.00 0.00 C ATOM 1904 C CYS A 117 -2.962 6.599 1.764 1.00 0.00 C ATOM 1905 O CYS A 117 -4.139 6.499 1.493 1.00 0.00 O ATOM 1906 CB CYS A 117 -1.359 6.342 -0.108 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.478 7.112 -1.481 1.00 0.00 S ATOM 0 H CYS A 117 -0.093 7.678 1.246 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.634 7.979 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.656 5.735 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -2.111 5.664 -0.511 1.00 0.00 H new ATOM 0 HG CYS A 117 0.694 7.506 -1.078 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.448 6.148 2.897 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.289 5.486 3.871 1.00 0.00 C ATOM 1915 C GLN A 118 -4.453 6.381 4.283 1.00 0.00 C ATOM 1916 O GLN A 118 -5.588 5.938 4.314 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.484 5.164 5.117 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.501 4.033 5.001 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.701 3.865 6.270 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -1.181 4.153 7.365 1.00 0.00 O ATOM 1921 NE2 GLN A 118 0.517 3.422 6.145 1.00 0.00 N ATOM 0 H GLN A 118 -1.466 6.228 3.159 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.671 4.574 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.940 6.061 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.180 4.931 5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.033 3.108 4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.826 4.220 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.884 3.192 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.104 3.304 6.971 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.170 7.613 4.666 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.253 8.542 4.948 1.00 0.00 C ATOM 1932 C ARG A 119 -5.947 9.090 3.724 1.00 0.00 C ATOM 1933 O ARG A 119 -7.154 9.166 3.624 1.00 0.00 O ATOM 1934 CB ARG A 119 -4.895 9.649 5.944 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.500 9.151 7.328 1.00 0.00 C ATOM 1936 CD ARG A 119 -2.986 8.975 7.470 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.336 10.300 7.620 1.00 0.00 N ATOM 1938 CZ ARG A 119 -1.832 11.079 6.647 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -1.580 10.597 5.465 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -1.517 12.335 6.903 1.00 0.00 N ATOM 0 H ARG A 119 -3.229 7.987 4.787 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.986 7.910 5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.073 10.236 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.748 10.321 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.854 9.856 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.994 8.200 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.763 8.351 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.587 8.461 6.595 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.263 10.662 8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.765 9.614 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.198 11.202 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.656 12.715 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.135 12.926 6.164 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.150 9.509 2.863 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.544 10.263 1.694 1.00 0.00 C ATOM 1956 C LEU A 120 -6.168 9.516 0.537 1.00 0.00 C ATOM 1957 O LEU A 120 -7.281 9.843 0.156 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.459 11.265 1.247 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.372 12.601 2.019 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.008 12.404 3.482 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.389 13.546 1.344 1.00 0.00 C ATOM 0 H LEU A 120 -4.144 9.349 2.919 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.402 10.821 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.491 10.769 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.623 11.493 0.194 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.366 13.048 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.960 13.373 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.765 11.786 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.038 11.912 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.342 14.481 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.401 13.087 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.720 13.748 0.325 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.555 8.395 0.136 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.835 7.664 -1.163 1.00 0.00 C ATOM 1975 C LEU A 121 -7.262 7.189 -1.231 1.00 0.00 C ATOM 1976 O LEU A 121 -7.817 6.898 -2.286 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.840 6.517 -1.397 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.823 5.870 -2.784 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -4.388 6.873 -3.845 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -3.905 4.658 -2.792 1.00 0.00 C ATOM 0 H LEU A 121 -4.833 7.941 0.696 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.693 8.378 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.838 6.893 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.047 5.737 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.836 5.543 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.384 6.390 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.083 7.713 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.386 7.235 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.904 4.209 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.892 4.967 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.260 3.928 -2.064 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.812 7.159 -0.095 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.098 6.678 0.214 1.00 0.00 C ATOM 1994 C LEU A 122 -10.216 7.425 -0.482 1.00 0.00 C ATOM 1995 O LEU A 122 -11.173 6.815 -0.940 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.253 7.085 1.633 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.471 6.297 2.703 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.930 6.691 4.097 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -8.619 4.798 2.508 1.00 0.00 C ATOM 0 H LEU A 122 -7.328 7.505 0.734 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.165 5.622 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.964 8.133 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.312 7.026 1.883 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.416 6.549 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -8.367 6.125 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.760 7.757 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.993 6.474 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.055 4.273 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -9.672 4.524 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.237 4.519 1.526 1.00 0.00 H new