USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 790 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 40 SER OG : rot 129:sc= 0.761 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 179:sc= 0.26 (180deg=0.255) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.068 (180deg=-0.351) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.64) USER MOD Single : A 7 GLN : amide:sc= -2.79! C(o=-2.8!,f=-3.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -149:sc=-0.00644 (180deg=-0.12) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0114 USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 0.283 (180deg=-0.0589) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -148:sc= 0.369 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -11.8! C(o=-13!,f=-12!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 43 ASN :FLIP amide:sc= -4.36! C(o=-5.3!,f=-4.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 52 THR OG1 : rot -170:sc= -2.3 USER MOD Single : A 53 HIS : no HE2:sc=0.000953 X(o=0.00095,f=-0.031) USER MOD Single : A 55 THR OG1 : rot -138:sc= -0.791! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -3.17! USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 0.0212 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.553 F(o=-5.2!,f=-0.55) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -7.61! C(o=-12!,f=-7.6!) USER MOD Single : A 92 ASN : amide:sc= -10.3! C(o=-10!,f=-18!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.481 19.726 -2.865 1.00 0.00 N ATOM 2 CA MET A 1 -1.118 20.037 -3.262 1.00 0.00 C ATOM 3 C MET A 1 -0.197 18.834 -3.049 1.00 0.00 C ATOM 4 O MET A 1 0.838 18.716 -3.704 1.00 0.00 O ATOM 5 CB MET A 1 -0.606 21.224 -2.443 1.00 0.00 C ATOM 6 CG MET A 1 0.729 21.732 -2.991 1.00 0.00 C ATOM 7 SD MET A 1 0.614 23.473 -3.363 1.00 0.00 S ATOM 8 CE MET A 1 0.387 23.399 -5.133 1.00 0.00 C ATOM 0 H1 MET A 1 -3.122 20.465 -3.217 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.758 18.807 -3.265 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.539 19.683 -1.828 1.00 0.00 H new ATOM 0 HA MET A 1 -1.117 20.288 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.341 22.028 -2.463 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.486 20.927 -1.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.520 21.559 -2.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.997 21.177 -3.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.297 24.410 -5.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.245 22.905 -5.589 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.519 22.837 -5.360 1.00 0.00 H new ATOM 18 N SER A 2 -0.606 17.971 -2.130 1.00 0.00 N ATOM 19 CA SER A 2 0.170 16.782 -1.823 1.00 0.00 C ATOM 20 C SER A 2 -0.534 15.964 -0.738 1.00 0.00 C ATOM 21 O SER A 2 -1.089 16.526 0.206 1.00 0.00 O ATOM 22 CB SER A 2 1.586 17.148 -1.376 1.00 0.00 C ATOM 23 OG SER A 2 2.207 16.092 -0.649 1.00 0.00 O ATOM 0 H SER A 2 -1.464 18.072 -1.588 1.00 0.00 H new ATOM 0 HA SER A 2 0.248 16.182 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.191 17.391 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.550 18.043 -0.755 1.00 0.00 H new ATOM 0 HG SER A 2 3.110 16.365 -0.383 1.00 0.00 H new ATOM 29 N ARG A 3 -0.489 14.651 -0.908 1.00 0.00 N ATOM 30 CA ARG A 3 -1.115 13.751 0.045 1.00 0.00 C ATOM 31 C ARG A 3 -0.886 14.245 1.473 1.00 0.00 C ATOM 32 O ARG A 3 0.138 14.863 1.762 1.00 0.00 O ATOM 33 CB ARG A 3 -0.560 12.331 -0.092 1.00 0.00 C ATOM 34 CG ARG A 3 0.901 12.269 0.358 1.00 0.00 C ATOM 35 CD ARG A 3 1.478 10.867 0.155 1.00 0.00 C ATOM 36 NE ARG A 3 2.833 10.958 -0.436 1.00 0.00 N ATOM 37 CZ ARG A 3 3.078 11.329 -1.701 1.00 0.00 C ATOM 38 NH1 ARG A 3 2.061 11.646 -2.514 1.00 0.00 N ATOM 39 NH2 ARG A 3 4.338 11.383 -2.150 1.00 0.00 N ATOM 0 H ARG A 3 -0.028 14.189 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.184 13.734 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.158 11.643 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.639 12.004 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.490 12.993 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.974 12.547 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 3 1.523 10.342 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.826 10.287 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 3 3.630 10.724 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.102 11.605 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.246 11.928 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.111 11.142 -1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.525 11.665 -3.112 1.00 0.00 H new ATOM 53 N SER A 4 -1.855 13.957 2.328 1.00 0.00 N ATOM 54 CA SER A 4 -1.772 14.366 3.720 1.00 0.00 C ATOM 55 C SER A 4 -1.666 13.135 4.622 1.00 0.00 C ATOM 56 O SER A 4 -2.467 12.209 4.511 1.00 0.00 O ATOM 57 CB SER A 4 -2.982 15.213 4.120 1.00 0.00 C ATOM 58 OG SER A 4 -2.618 16.561 4.406 1.00 0.00 O ATOM 0 H SER A 4 -2.703 13.445 2.084 1.00 0.00 H new ATOM 0 HA SER A 4 -0.878 14.978 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.717 15.199 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.460 14.773 4.995 1.00 0.00 H new ATOM 0 HG SER A 4 -3.418 17.070 4.656 1.00 0.00 H new ATOM 64 N ASN A 5 -0.669 13.164 5.494 1.00 0.00 N ATOM 65 CA ASN A 5 -0.446 12.062 6.415 1.00 0.00 C ATOM 66 C ASN A 5 -1.595 12.006 7.423 1.00 0.00 C ATOM 67 O ASN A 5 -2.209 13.028 7.727 1.00 0.00 O ATOM 68 CB ASN A 5 0.858 12.248 7.193 1.00 0.00 C ATOM 69 CG ASN A 5 0.809 13.515 8.049 1.00 0.00 C ATOM 70 OD1 ASN A 5 1.041 14.619 7.583 1.00 0.00 O ATOM 71 ND2 ASN A 5 0.494 13.297 9.322 1.00 0.00 N ATOM 0 H ASN A 5 -0.006 13.934 5.582 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.389 11.142 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.033 11.381 7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.695 12.307 6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.435 14.079 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.312 12.347 9.647 1.00 0.00 H new ATOM 78 N ARG A 6 -1.852 10.803 7.913 1.00 0.00 N ATOM 79 CA ARG A 6 -2.917 10.600 8.881 1.00 0.00 C ATOM 80 C ARG A 6 -2.541 11.230 10.224 1.00 0.00 C ATOM 81 O ARG A 6 -1.475 11.829 10.356 1.00 0.00 O ATOM 82 CB ARG A 6 -3.200 9.110 9.086 1.00 0.00 C ATOM 83 CG ARG A 6 -2.077 8.443 9.882 1.00 0.00 C ATOM 84 CD ARG A 6 -1.393 7.352 9.059 1.00 0.00 C ATOM 85 NE ARG A 6 -0.238 7.918 8.328 1.00 0.00 N ATOM 86 CZ ARG A 6 0.880 8.362 8.920 1.00 0.00 C ATOM 87 NH1 ARG A 6 1.000 8.307 10.253 1.00 0.00 N ATOM 88 NH2 ARG A 6 1.879 8.861 8.177 1.00 0.00 N ATOM 0 H ARG A 6 -1.341 9.958 7.658 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.815 11.078 8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.147 8.985 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.305 8.620 8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.343 9.192 10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.482 8.012 10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.060 6.546 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.102 6.918 8.354 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.296 7.974 7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.241 7.927 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.851 8.645 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.788 8.903 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.730 9.199 8.627 1.00 0.00 H new ATOM 102 N GLN A 7 -3.437 11.072 11.187 1.00 0.00 N ATOM 103 CA GLN A 7 -3.212 11.617 12.515 1.00 0.00 C ATOM 104 C GLN A 7 -2.772 10.511 13.476 1.00 0.00 C ATOM 105 O GLN A 7 -1.580 10.331 13.718 1.00 0.00 O ATOM 106 CB GLN A 7 -4.461 12.331 13.034 1.00 0.00 C ATOM 107 CG GLN A 7 -5.588 12.285 12.000 1.00 0.00 C ATOM 108 CD GLN A 7 -6.315 10.939 12.042 1.00 0.00 C ATOM 109 OE1 GLN A 7 -6.819 10.507 13.065 1.00 0.00 O ATOM 110 NE2 GLN A 7 -6.343 10.302 10.874 1.00 0.00 N ATOM 0 H GLN A 7 -4.320 10.574 11.074 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.412 12.355 12.452 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.793 11.863 13.961 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.220 13.368 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.296 13.091 12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.179 12.451 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.901 10.719 10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.806 9.396 10.798 1.00 0.00 H new ATOM 119 N LYS A 8 -3.759 9.798 13.998 1.00 0.00 N ATOM 120 CA LYS A 8 -3.491 8.713 14.927 1.00 0.00 C ATOM 121 C LYS A 8 -3.933 7.389 14.300 1.00 0.00 C ATOM 122 O LYS A 8 -3.405 6.331 14.639 1.00 0.00 O ATOM 123 CB LYS A 8 -4.139 8.997 16.284 1.00 0.00 C ATOM 124 CG LYS A 8 -5.636 8.683 16.252 1.00 0.00 C ATOM 125 CD LYS A 8 -6.460 9.901 16.680 1.00 0.00 C ATOM 126 CE LYS A 8 -7.660 9.479 17.529 1.00 0.00 C ATOM 127 NZ LYS A 8 -8.141 10.615 18.347 1.00 0.00 N ATOM 0 H LYS A 8 -4.747 9.951 13.795 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.421 8.633 15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.654 8.398 17.055 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.989 10.043 16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.926 8.378 15.247 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.850 7.844 16.914 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.832 10.588 17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.806 10.439 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.463 9.123 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.380 8.649 18.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.956 10.312 18.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.378 10.937 18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.427 11.396 17.723 1.00 0.00 H new ATOM 141 N GLU A 9 -4.896 7.490 13.396 1.00 0.00 N ATOM 142 CA GLU A 9 -5.414 6.314 12.720 1.00 0.00 C ATOM 143 C GLU A 9 -5.201 6.434 11.209 1.00 0.00 C ATOM 144 O GLU A 9 -5.339 7.517 10.643 1.00 0.00 O ATOM 145 CB GLU A 9 -6.893 6.098 13.049 1.00 0.00 C ATOM 146 CG GLU A 9 -7.723 7.330 12.679 1.00 0.00 C ATOM 147 CD GLU A 9 -9.107 6.926 12.170 1.00 0.00 C ATOM 148 OE1 GLU A 9 -9.184 6.535 10.985 1.00 0.00 O ATOM 149 OE2 GLU A 9 -10.057 7.015 12.977 1.00 0.00 O ATOM 0 H GLU A 9 -5.331 8.369 13.116 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.865 5.443 13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.266 5.228 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.005 5.885 14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.827 7.978 13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.204 7.906 11.913 1.00 0.00 H new ATOM 156 N TYR A 10 -4.866 5.306 10.600 1.00 0.00 N ATOM 157 CA TYR A 10 -4.632 5.270 9.167 1.00 0.00 C ATOM 158 C TYR A 10 -5.922 5.550 8.393 1.00 0.00 C ATOM 159 O TYR A 10 -6.999 5.119 8.800 1.00 0.00 O ATOM 160 CB TYR A 10 -4.159 3.850 8.851 1.00 0.00 C ATOM 161 CG TYR A 10 -5.295 2.833 8.715 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.334 2.834 9.622 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.279 1.916 7.684 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.403 1.876 9.494 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.347 0.958 7.556 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.357 0.986 8.467 1.00 0.00 C ATOM 167 OH TYR A 10 -8.365 0.083 8.346 1.00 0.00 O ATOM 0 H TYR A 10 -4.751 4.410 11.073 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.902 6.027 8.879 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.586 3.866 7.924 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.481 3.520 9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.346 3.553 10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.466 1.917 6.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.222 1.865 10.198 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.346 0.234 6.755 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.201 -0.488 7.567 1.00 0.00 H new ATOM 177 N LYS A 11 -5.769 6.270 7.291 1.00 0.00 N ATOM 178 CA LYS A 11 -6.909 6.612 6.457 1.00 0.00 C ATOM 179 C LYS A 11 -6.447 6.758 5.005 1.00 0.00 C ATOM 180 O LYS A 11 -5.256 6.657 4.716 1.00 0.00 O ATOM 181 CB LYS A 11 -7.620 7.852 7.004 1.00 0.00 C ATOM 182 CG LYS A 11 -6.819 9.121 6.703 1.00 0.00 C ATOM 183 CD LYS A 11 -7.735 10.345 6.644 1.00 0.00 C ATOM 184 CE LYS A 11 -8.427 10.445 5.283 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.875 10.168 5.416 1.00 0.00 N ATOM 0 H LYS A 11 -4.873 6.626 6.957 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.650 5.813 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.613 7.931 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.758 7.751 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.060 9.267 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.295 9.008 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.484 10.282 7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.154 11.248 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.278 11.441 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.978 9.737 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.226 9.729 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.033 9.521 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.385 11.059 5.586 1.00 0.00 H new ATOM 199 N CYS A 12 -7.415 6.994 4.132 1.00 0.00 N ATOM 200 CA CYS A 12 -7.123 7.155 2.717 1.00 0.00 C ATOM 201 C CYS A 12 -5.873 8.026 2.581 1.00 0.00 C ATOM 202 O CYS A 12 -5.677 8.963 3.355 1.00 0.00 O ATOM 203 CB CYS A 12 -8.313 7.742 1.956 1.00 0.00 C ATOM 204 SG CYS A 12 -8.282 7.183 0.215 1.00 0.00 S ATOM 0 H CYS A 12 -8.402 7.078 4.376 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.936 6.179 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.245 7.433 2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.280 8.831 1.997 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.298 7.686 -0.420 1.00 0.00 H new ATOM 210 N GLY A 13 -5.060 7.688 1.591 1.00 0.00 N ATOM 211 CA GLY A 13 -3.834 8.428 1.343 1.00 0.00 C ATOM 212 C GLY A 13 -2.675 7.858 2.164 1.00 0.00 C ATOM 213 O GLY A 13 -1.540 8.322 2.048 1.00 0.00 O ATOM 0 H GLY A 13 -5.226 6.911 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.588 8.386 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.981 9.478 1.595 1.00 0.00 H new ATOM 217 N ASP A 14 -2.999 6.862 2.975 1.00 0.00 N ATOM 218 CA ASP A 14 -1.999 6.226 3.815 1.00 0.00 C ATOM 219 C ASP A 14 -1.303 5.119 3.021 1.00 0.00 C ATOM 220 O ASP A 14 -1.962 4.273 2.418 1.00 0.00 O ATOM 221 CB ASP A 14 -2.640 5.591 5.050 1.00 0.00 C ATOM 222 CG ASP A 14 -1.714 4.685 5.866 1.00 0.00 C ATOM 223 OD1 ASP A 14 -0.741 5.229 6.430 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.002 3.470 5.909 1.00 0.00 O ATOM 0 H ASP A 14 -3.940 6.480 3.068 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.288 6.990 4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.010 6.386 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.506 5.009 4.733 1.00 0.00 H new ATOM 229 N LEU A 15 0.021 5.158 3.045 1.00 0.00 N ATOM 230 CA LEU A 15 0.813 4.169 2.336 1.00 0.00 C ATOM 231 C LEU A 15 1.363 3.149 3.335 1.00 0.00 C ATOM 232 O LEU A 15 1.984 3.522 4.331 1.00 0.00 O ATOM 233 CB LEU A 15 1.895 4.852 1.496 1.00 0.00 C ATOM 234 CG LEU A 15 2.755 3.927 0.631 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.904 3.328 1.446 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.901 2.847 -0.035 1.00 0.00 C ATOM 0 H LEU A 15 0.565 5.861 3.545 1.00 0.00 H new ATOM 0 HA LEU A 15 0.192 3.619 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.415 5.583 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.553 5.405 2.166 1.00 0.00 H new ATOM 0 HG LEU A 15 3.200 4.521 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.500 2.675 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.533 4.130 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.498 2.752 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.537 2.204 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.408 2.249 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.149 3.317 -0.668 1.00 0.00 H new ATOM 248 N VAL A 16 1.117 1.883 3.037 1.00 0.00 N ATOM 249 CA VAL A 16 1.580 0.807 3.897 1.00 0.00 C ATOM 250 C VAL A 16 1.952 -0.403 3.037 1.00 0.00 C ATOM 251 O VAL A 16 1.811 -0.368 1.816 1.00 0.00 O ATOM 252 CB VAL A 16 0.520 0.488 4.952 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.739 1.316 6.219 1.00 0.00 C ATOM 254 CG2 VAL A 16 -0.890 0.699 4.395 1.00 0.00 C ATOM 0 H VAL A 16 0.602 1.577 2.211 1.00 0.00 H new ATOM 0 HA VAL A 16 2.477 1.109 4.438 1.00 0.00 H new ATOM 0 HB VAL A 16 0.620 -0.564 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.029 1.069 6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.722 1.093 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.680 2.377 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.624 0.465 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.007 1.737 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.044 0.045 3.537 1.00 0.00 H new ATOM 264 N PHE A 17 2.418 -1.445 3.709 1.00 0.00 N ATOM 265 CA PHE A 17 2.812 -2.664 3.022 1.00 0.00 C ATOM 266 C PHE A 17 1.646 -3.653 2.950 1.00 0.00 C ATOM 267 O PHE A 17 1.187 -4.151 3.976 1.00 0.00 O ATOM 268 CB PHE A 17 3.947 -3.290 3.835 1.00 0.00 C ATOM 269 CG PHE A 17 5.316 -3.211 3.154 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.510 -3.806 1.947 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.339 -2.548 3.758 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.779 -3.733 1.315 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.608 -2.475 3.127 1.00 0.00 C ATOM 274 CZ PHE A 17 7.803 -3.069 1.919 1.00 0.00 C ATOM 0 H PHE A 17 2.532 -1.471 4.722 1.00 0.00 H new ATOM 0 HA PHE A 17 3.122 -2.433 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.005 -2.792 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.708 -4.336 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.698 -4.334 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.185 -2.077 4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.932 -4.204 0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.419 -1.947 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.769 -3.014 1.439 1.00 0.00 H new ATOM 284 N ALA A 18 1.201 -3.907 1.728 1.00 0.00 N ATOM 285 CA ALA A 18 0.099 -4.827 1.510 1.00 0.00 C ATOM 286 C ALA A 18 0.623 -6.088 0.818 1.00 0.00 C ATOM 287 O ALA A 18 1.325 -6.002 -0.188 1.00 0.00 O ATOM 288 CB ALA A 18 -0.995 -4.129 0.700 1.00 0.00 C ATOM 0 H ALA A 18 1.584 -3.491 0.879 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.342 -5.131 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.823 -4.819 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.353 -3.257 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.590 -3.813 -0.261 1.00 0.00 H new ATOM 294 N LYS A 19 0.260 -7.229 1.384 1.00 0.00 N ATOM 295 CA LYS A 19 0.684 -8.506 0.835 1.00 0.00 C ATOM 296 C LYS A 19 -0.530 -9.236 0.259 1.00 0.00 C ATOM 297 O LYS A 19 -1.660 -9.009 0.692 1.00 0.00 O ATOM 298 CB LYS A 19 1.446 -9.315 1.886 1.00 0.00 C ATOM 299 CG LYS A 19 0.481 -10.033 2.831 1.00 0.00 C ATOM 300 CD LYS A 19 -0.133 -9.054 3.835 1.00 0.00 C ATOM 301 CE LYS A 19 -0.209 -9.675 5.231 1.00 0.00 C ATOM 302 NZ LYS A 19 -1.182 -10.789 5.252 1.00 0.00 N ATOM 0 H LYS A 19 -0.324 -7.296 2.218 1.00 0.00 H new ATOM 0 HA LYS A 19 1.385 -8.354 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.088 -10.045 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.096 -8.653 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.310 -10.512 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.009 -10.823 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.464 -8.142 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.132 -8.768 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.775 -10.039 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.501 -8.916 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.001 -10.524 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.499 -10.991 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.731 -11.636 5.653 1.00 0.00 H new ATOM 316 N MET A 20 -0.257 -10.098 -0.709 1.00 0.00 N ATOM 317 CA MET A 20 -1.314 -10.863 -1.351 1.00 0.00 C ATOM 318 C MET A 20 -0.960 -12.350 -1.402 1.00 0.00 C ATOM 319 O MET A 20 0.203 -12.722 -1.245 1.00 0.00 O ATOM 320 CB MET A 20 -1.532 -10.341 -2.772 1.00 0.00 C ATOM 321 CG MET A 20 -2.910 -10.745 -3.300 1.00 0.00 C ATOM 322 SD MET A 20 -3.731 -9.327 -4.010 1.00 0.00 S ATOM 323 CE MET A 20 -3.478 -9.660 -5.745 1.00 0.00 C ATOM 0 H MET A 20 0.681 -10.284 -1.065 1.00 0.00 H new ATOM 0 HA MET A 20 -2.227 -10.746 -0.768 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.439 -9.255 -2.782 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.757 -10.734 -3.430 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.806 -11.529 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.512 -11.157 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.932 -8.866 -6.338 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.409 -9.704 -5.955 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.938 -10.614 -6.003 1.00 0.00 H new ATOM 333 N LYS A 21 -1.984 -13.163 -1.619 1.00 0.00 N ATOM 334 CA LYS A 21 -1.796 -14.601 -1.691 1.00 0.00 C ATOM 335 C LYS A 21 -0.792 -14.926 -2.799 1.00 0.00 C ATOM 336 O LYS A 21 -1.031 -14.621 -3.967 1.00 0.00 O ATOM 337 CB LYS A 21 -3.141 -15.311 -1.854 1.00 0.00 C ATOM 338 CG LYS A 21 -3.929 -15.302 -0.541 1.00 0.00 C ATOM 339 CD LYS A 21 -3.700 -16.596 0.243 1.00 0.00 C ATOM 340 CE LYS A 21 -4.920 -17.515 0.151 1.00 0.00 C ATOM 341 NZ LYS A 21 -5.974 -17.073 1.091 1.00 0.00 N ATOM 0 H LYS A 21 -2.947 -12.852 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.375 -14.976 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.723 -14.821 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.977 -16.339 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.626 -14.447 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.992 -15.183 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.822 -17.111 -0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.495 -16.361 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.308 -17.513 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.628 -18.540 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.795 -17.707 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.605 -17.098 2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.264 -16.102 0.856 1.00 0.00 H new ATOM 355 N GLY A 22 0.311 -15.537 -2.394 1.00 0.00 N ATOM 356 CA GLY A 22 1.352 -15.905 -3.339 1.00 0.00 C ATOM 357 C GLY A 22 2.306 -14.735 -3.588 1.00 0.00 C ATOM 358 O GLY A 22 3.387 -14.918 -4.146 1.00 0.00 O ATOM 0 H GLY A 22 0.507 -15.787 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.911 -16.759 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.900 -16.217 -4.280 1.00 0.00 H new ATOM 362 N TYR A 23 1.871 -13.558 -3.161 1.00 0.00 N ATOM 363 CA TYR A 23 2.672 -12.359 -3.331 1.00 0.00 C ATOM 364 C TYR A 23 3.178 -11.842 -1.982 1.00 0.00 C ATOM 365 O TYR A 23 2.419 -11.766 -1.018 1.00 0.00 O ATOM 366 CB TYR A 23 1.741 -11.314 -3.947 1.00 0.00 C ATOM 367 CG TYR A 23 2.456 -10.284 -4.825 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.052 -10.679 -6.005 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.504 -8.960 -4.437 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.724 -9.710 -6.832 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.178 -7.991 -5.264 1.00 0.00 C ATOM 372 CZ TYR A 23 3.754 -8.415 -6.420 1.00 0.00 C ATOM 373 OH TYR A 23 4.388 -7.501 -7.201 1.00 0.00 O ATOM 0 H TYR A 23 0.974 -13.410 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 23 3.542 -12.564 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.985 -11.823 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.217 -10.792 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.015 -11.715 -6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.037 -8.650 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.193 -10.006 -7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.224 -6.952 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 23 4.780 -6.803 -6.635 1.00 0.00 H new ATOM 383 N PRO A 24 4.492 -11.492 -1.957 1.00 0.00 N ATOM 384 CA PRO A 24 5.109 -10.985 -0.742 1.00 0.00 C ATOM 385 C PRO A 24 4.682 -9.541 -0.475 1.00 0.00 C ATOM 386 O PRO A 24 4.313 -8.815 -1.397 1.00 0.00 O ATOM 387 CB PRO A 24 6.605 -11.132 -0.969 1.00 0.00 C ATOM 388 CG PRO A 24 6.785 -11.278 -2.472 1.00 0.00 C ATOM 389 CD PRO A 24 5.423 -11.569 -3.079 1.00 0.00 C ATOM 0 HA PRO A 24 4.801 -11.533 0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.145 -10.263 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.997 -12.002 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.205 -10.366 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.483 -12.085 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.171 -10.844 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.400 -12.554 -3.546 1.00 0.00 H new ATOM 397 N HIS A 25 4.748 -9.164 0.795 1.00 0.00 N ATOM 398 CA HIS A 25 4.374 -7.818 1.197 1.00 0.00 C ATOM 399 C HIS A 25 4.945 -6.808 0.200 1.00 0.00 C ATOM 400 O HIS A 25 6.157 -6.621 0.126 1.00 0.00 O ATOM 401 CB HIS A 25 4.809 -7.541 2.637 1.00 0.00 C ATOM 402 CG HIS A 25 3.667 -7.229 3.574 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.558 -6.454 3.401 1.00 0.00 N flip ATOM 404 CD2 HIS A 25 3.590 -7.737 4.859 1.00 0.00 C flip ATOM 405 CE1 HIS A 25 1.842 -6.488 4.517 1.00 0.00 C flip ATOM 406 NE2 HIS A 25 2.481 -7.283 5.424 1.00 0.00 N flip ATOM 0 H HIS A 25 5.055 -9.767 1.558 1.00 0.00 H new ATOM 0 HA HIS A 25 3.289 -7.718 1.181 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.350 -8.408 3.016 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.507 -6.704 2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.312 -8.393 5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.908 -5.972 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.161 -7.491 6.370 1.00 0.00 H new ATOM 414 N TRP A 26 4.040 -6.182 -0.541 1.00 0.00 N ATOM 415 CA TRP A 26 4.439 -5.196 -1.530 1.00 0.00 C ATOM 416 C TRP A 26 3.928 -3.830 -1.069 1.00 0.00 C ATOM 417 O TRP A 26 2.987 -3.750 -0.279 1.00 0.00 O ATOM 418 CB TRP A 26 3.937 -5.581 -2.923 1.00 0.00 C ATOM 419 CG TRP A 26 5.050 -5.776 -3.954 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.160 -5.213 -5.166 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.214 -6.619 -3.815 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.305 -5.630 -5.814 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.966 -6.512 -4.966 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.617 -7.445 -2.750 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.167 -7.203 -5.164 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.819 -8.128 -2.964 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.588 -8.032 -4.118 1.00 0.00 C ATOM 0 H TRP A 26 3.034 -6.339 -0.476 1.00 0.00 H new ATOM 0 HA TRP A 26 5.525 -5.153 -1.613 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.360 -6.503 -2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.257 -4.807 -3.280 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.443 -4.521 -5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.610 -5.344 -6.744 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.044 -7.544 -1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.738 -7.102 -6.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.175 -8.776 -2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.506 -8.594 -4.207 1.00 0.00 H new ATOM 438 N PRO A 27 4.586 -2.762 -1.592 1.00 0.00 N ATOM 439 CA PRO A 27 4.208 -1.403 -1.242 1.00 0.00 C ATOM 440 C PRO A 27 2.914 -0.994 -1.946 1.00 0.00 C ATOM 441 O PRO A 27 2.924 -0.683 -3.137 1.00 0.00 O ATOM 442 CB PRO A 27 5.399 -0.548 -1.641 1.00 0.00 C ATOM 443 CG PRO A 27 6.204 -1.386 -2.621 1.00 0.00 C ATOM 444 CD PRO A 27 5.705 -2.818 -2.528 1.00 0.00 C ATOM 0 HA PRO A 27 3.990 -1.288 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.073 0.385 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.998 -0.282 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.086 -1.006 -3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.267 -1.336 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.388 -3.191 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.487 -3.487 -2.170 1.00 0.00 H new ATOM 452 N ALA A 28 1.831 -1.009 -1.183 1.00 0.00 N ATOM 453 CA ALA A 28 0.532 -0.644 -1.722 1.00 0.00 C ATOM 454 C ALA A 28 -0.078 0.466 -0.863 1.00 0.00 C ATOM 455 O ALA A 28 0.154 0.519 0.344 1.00 0.00 O ATOM 456 CB ALA A 28 -0.361 -1.885 -1.789 1.00 0.00 C ATOM 0 H ALA A 28 1.826 -1.268 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 28 0.633 -0.259 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.335 -1.611 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.102 -2.632 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.487 -2.297 -0.788 1.00 0.00 H new ATOM 462 N ARG A 29 -0.844 1.325 -1.518 1.00 0.00 N ATOM 463 CA ARG A 29 -1.488 2.430 -0.829 1.00 0.00 C ATOM 464 C ARG A 29 -2.912 2.045 -0.422 1.00 0.00 C ATOM 465 O ARG A 29 -3.487 1.110 -0.975 1.00 0.00 O ATOM 466 CB ARG A 29 -1.538 3.677 -1.715 1.00 0.00 C ATOM 467 CG ARG A 29 -1.619 4.948 -0.867 1.00 0.00 C ATOM 468 CD ARG A 29 -1.283 6.185 -1.702 1.00 0.00 C ATOM 469 NE ARG A 29 -2.529 6.872 -2.112 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.624 7.687 -3.172 1.00 0.00 C ATOM 471 NH1 ARG A 29 -1.547 7.923 -3.935 1.00 0.00 N ATOM 472 NH2 ARG A 29 -3.795 8.267 -3.469 1.00 0.00 N ATOM 0 H ARG A 29 -1.033 1.278 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.900 2.653 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.651 3.714 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.401 3.622 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.621 5.048 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.929 4.874 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.656 6.865 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.711 5.895 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.368 6.715 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.655 7.482 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.619 8.543 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.614 8.088 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.867 8.887 -4.276 1.00 0.00 H new ATOM 486 N ILE A 30 -3.437 2.785 0.542 1.00 0.00 N ATOM 487 CA ILE A 30 -4.783 2.532 1.030 1.00 0.00 C ATOM 488 C ILE A 30 -5.786 3.314 0.178 1.00 0.00 C ATOM 489 O ILE A 30 -5.496 4.424 -0.264 1.00 0.00 O ATOM 490 CB ILE A 30 -4.877 2.839 2.526 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.563 1.696 3.277 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.570 4.182 2.768 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.012 1.528 2.818 1.00 0.00 C ATOM 0 H ILE A 30 -2.956 3.560 0.999 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.032 1.476 0.928 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.865 2.924 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.016 0.768 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.538 1.894 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.624 4.376 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.003 4.977 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.578 4.151 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.475 0.709 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.563 2.449 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.032 1.306 1.751 1.00 0.00 H new ATOM 505 N ASP A 31 -6.943 2.703 -0.027 1.00 0.00 N ATOM 506 CA ASP A 31 -7.990 3.326 -0.817 1.00 0.00 C ATOM 507 C ASP A 31 -9.349 2.776 -0.383 1.00 0.00 C ATOM 508 O ASP A 31 -9.447 1.631 0.056 1.00 0.00 O ATOM 509 CB ASP A 31 -7.810 3.022 -2.306 1.00 0.00 C ATOM 510 CG ASP A 31 -6.360 3.011 -2.794 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.642 2.060 -2.419 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.003 3.956 -3.532 1.00 0.00 O ATOM 0 H ASP A 31 -7.178 1.781 0.341 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.935 4.403 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.257 2.051 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.366 3.762 -2.882 1.00 0.00 H new ATOM 517 N GLU A 32 -10.364 3.618 -0.520 1.00 0.00 N ATOM 518 CA GLU A 32 -11.714 3.230 -0.146 1.00 0.00 C ATOM 519 C GLU A 32 -12.453 2.651 -1.354 1.00 0.00 C ATOM 520 O GLU A 32 -12.209 3.057 -2.490 1.00 0.00 O ATOM 521 CB GLU A 32 -12.479 4.412 0.450 1.00 0.00 C ATOM 522 CG GLU A 32 -12.672 4.237 1.958 1.00 0.00 C ATOM 523 CD GLU A 32 -13.937 4.952 2.435 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.024 4.361 2.258 1.00 0.00 O ATOM 525 OE2 GLU A 32 -13.789 6.073 2.966 1.00 0.00 O ATOM 0 H GLU A 32 -10.278 4.567 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.650 2.458 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.936 5.337 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.450 4.503 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.737 3.176 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.805 4.632 2.488 1.00 0.00 H new ATOM 532 N MET A 33 -13.340 1.710 -1.069 1.00 0.00 N ATOM 533 CA MET A 33 -14.117 1.071 -2.118 1.00 0.00 C ATOM 534 C MET A 33 -15.201 2.010 -2.648 1.00 0.00 C ATOM 535 O MET A 33 -16.135 2.356 -1.928 1.00 0.00 O ATOM 536 CB MET A 33 -14.768 -0.200 -1.569 1.00 0.00 C ATOM 537 CG MET A 33 -15.866 0.138 -0.559 1.00 0.00 C ATOM 538 SD MET A 33 -15.879 -1.071 0.755 1.00 0.00 S ATOM 539 CE MET A 33 -16.898 -0.220 1.949 1.00 0.00 C ATOM 0 H MET A 33 -13.538 1.374 -0.127 1.00 0.00 H new ATOM 0 HA MET A 33 -13.446 0.821 -2.940 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.190 -0.780 -2.390 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.011 -0.824 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.699 1.133 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.836 0.157 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 33 -17.010 -0.839 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.428 0.725 2.221 1.00 0.00 H new ATOM 0 HE3 MET A 33 -17.879 -0.025 1.517 1.00 0.00 H new ATOM 549 N PRO A 34 -15.034 2.409 -3.938 1.00 0.00 N ATOM 550 CA PRO A 34 -15.987 3.303 -4.574 1.00 0.00 C ATOM 551 C PRO A 34 -17.279 2.563 -4.932 1.00 0.00 C ATOM 552 O PRO A 34 -17.368 1.348 -4.765 1.00 0.00 O ATOM 553 CB PRO A 34 -15.261 3.853 -5.790 1.00 0.00 C ATOM 554 CG PRO A 34 -14.106 2.899 -6.051 1.00 0.00 C ATOM 555 CD PRO A 34 -13.939 2.020 -4.822 1.00 0.00 C ATOM 0 HA PRO A 34 -16.306 4.113 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.926 3.906 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.899 4.864 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.307 2.289 -6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.190 3.455 -6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.995 0.963 -5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.971 2.181 -4.348 1.00 0.00 H new ATOM 563 N GLU A 35 -18.245 3.329 -5.418 1.00 0.00 N ATOM 564 CA GLU A 35 -19.527 2.760 -5.802 1.00 0.00 C ATOM 565 C GLU A 35 -20.083 3.488 -7.028 1.00 0.00 C ATOM 566 O GLU A 35 -21.277 3.775 -7.095 1.00 0.00 O ATOM 567 CB GLU A 35 -20.518 2.812 -4.638 1.00 0.00 C ATOM 568 CG GLU A 35 -20.800 4.256 -4.220 1.00 0.00 C ATOM 569 CD GLU A 35 -21.343 4.318 -2.791 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.285 3.545 -2.509 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.807 5.137 -2.014 1.00 0.00 O ATOM 0 H GLU A 35 -18.167 4.337 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.376 1.712 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.449 2.325 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.118 2.256 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.885 4.844 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.520 4.703 -4.906 1.00 0.00 H new ATOM 578 N ALA A 36 -19.190 3.761 -7.968 1.00 0.00 N ATOM 579 CA ALA A 36 -19.577 4.448 -9.188 1.00 0.00 C ATOM 580 C ALA A 36 -19.595 3.449 -10.347 1.00 0.00 C ATOM 581 O ALA A 36 -20.658 3.100 -10.857 1.00 0.00 O ATOM 582 CB ALA A 36 -18.623 5.617 -9.442 1.00 0.00 C ATOM 0 H ALA A 36 -18.201 3.519 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.581 4.862 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.914 6.132 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.669 6.313 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.605 5.240 -9.545 1.00 0.00 H new ATOM 588 N ALA A 37 -18.402 3.015 -10.732 1.00 0.00 N ATOM 589 CA ALA A 37 -18.265 2.064 -11.820 1.00 0.00 C ATOM 590 C ALA A 37 -19.077 0.806 -11.497 1.00 0.00 C ATOM 591 O ALA A 37 -19.835 0.320 -12.335 1.00 0.00 O ATOM 592 CB ALA A 37 -16.785 1.757 -12.049 1.00 0.00 C ATOM 0 H ALA A 37 -17.521 3.306 -10.308 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.658 2.483 -12.746 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.684 1.043 -12.866 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.258 2.677 -12.303 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.357 1.332 -11.141 1.00 0.00 H new ATOM 598 N VAL A 38 -18.891 0.318 -10.280 1.00 0.00 N ATOM 599 CA VAL A 38 -19.596 -0.873 -9.836 1.00 0.00 C ATOM 600 C VAL A 38 -20.070 -0.672 -8.396 1.00 0.00 C ATOM 601 O VAL A 38 -19.788 0.357 -7.782 1.00 0.00 O ATOM 602 CB VAL A 38 -18.702 -2.104 -10.005 1.00 0.00 C ATOM 603 CG1 VAL A 38 -18.417 -2.375 -11.484 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.402 -1.951 -9.215 1.00 0.00 C ATOM 0 H VAL A 38 -18.263 0.725 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.481 -1.044 -10.449 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.237 -2.964 -9.604 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.780 -3.255 -11.577 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.356 -2.550 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.912 -1.514 -11.921 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.786 -2.839 -9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.860 -1.075 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.632 -1.829 -8.156 1.00 0.00 H new ATOM 614 N LYS A 39 -20.782 -1.673 -7.896 1.00 0.00 N ATOM 615 CA LYS A 39 -21.297 -1.619 -6.538 1.00 0.00 C ATOM 616 C LYS A 39 -20.406 -2.462 -5.625 1.00 0.00 C ATOM 617 O LYS A 39 -20.485 -3.690 -5.635 1.00 0.00 O ATOM 618 CB LYS A 39 -22.771 -2.029 -6.508 1.00 0.00 C ATOM 619 CG LYS A 39 -23.613 -1.111 -7.398 1.00 0.00 C ATOM 620 CD LYS A 39 -24.546 -1.926 -8.297 1.00 0.00 C ATOM 621 CE LYS A 39 -24.206 -1.712 -9.774 1.00 0.00 C ATOM 622 NZ LYS A 39 -24.734 -2.825 -10.594 1.00 0.00 N ATOM 0 H LYS A 39 -21.014 -2.525 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.266 -0.597 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.872 -3.061 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.143 -1.990 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.200 -0.434 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.958 -0.493 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.462 -2.984 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.580 -1.636 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.628 -0.768 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.125 -1.642 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.495 -2.664 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.312 -3.721 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.768 -2.873 -10.489 1.00 0.00 H new ATOM 636 N SER A 40 -19.578 -1.770 -4.855 1.00 0.00 N ATOM 637 CA SER A 40 -18.674 -2.440 -3.936 1.00 0.00 C ATOM 638 C SER A 40 -19.472 -3.201 -2.877 1.00 0.00 C ATOM 639 O SER A 40 -20.698 -3.116 -2.839 1.00 0.00 O ATOM 640 CB SER A 40 -17.725 -1.441 -3.271 1.00 0.00 C ATOM 641 OG SER A 40 -16.717 -0.984 -4.168 1.00 0.00 O ATOM 0 H SER A 40 -19.515 -0.752 -4.849 1.00 0.00 H new ATOM 0 HA SER A 40 -18.072 -3.148 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.296 -0.589 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.255 -1.908 -2.405 1.00 0.00 H new ATOM 0 HG SER A 40 -16.691 -0.004 -4.160 1.00 0.00 H new ATOM 647 N THR A 41 -18.744 -3.926 -2.040 1.00 0.00 N ATOM 648 CA THR A 41 -19.368 -4.702 -0.982 1.00 0.00 C ATOM 649 C THR A 41 -18.918 -4.192 0.388 1.00 0.00 C ATOM 650 O THR A 41 -18.250 -3.164 0.483 1.00 0.00 O ATOM 651 CB THR A 41 -19.042 -6.177 -1.220 1.00 0.00 C ATOM 652 OG1 THR A 41 -17.617 -6.225 -1.193 1.00 0.00 O ATOM 653 CG2 THR A 41 -19.403 -6.636 -2.634 1.00 0.00 C ATOM 0 H THR A 41 -17.727 -3.992 -2.073 1.00 0.00 H new ATOM 0 HA THR A 41 -20.452 -4.590 -0.996 1.00 0.00 H new ATOM 0 HB THR A 41 -19.576 -6.789 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.318 -7.147 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.151 -7.690 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 41 -20.471 -6.498 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 41 -18.844 -6.047 -3.361 1.00 0.00 H new ATOM 661 N ALA A 42 -19.303 -4.936 1.416 1.00 0.00 N ATOM 662 CA ALA A 42 -18.947 -4.572 2.777 1.00 0.00 C ATOM 663 C ALA A 42 -17.761 -5.423 3.234 1.00 0.00 C ATOM 664 O ALA A 42 -17.293 -6.289 2.496 1.00 0.00 O ATOM 665 CB ALA A 42 -20.168 -4.737 3.685 1.00 0.00 C ATOM 0 H ALA A 42 -19.857 -5.788 1.333 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.641 -3.527 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.902 -4.464 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.972 -4.090 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.501 -5.775 3.662 1.00 0.00 H new ATOM 671 N ASN A 43 -17.309 -5.148 4.449 1.00 0.00 N ATOM 672 CA ASN A 43 -16.187 -5.878 5.013 1.00 0.00 C ATOM 673 C ASN A 43 -15.122 -6.082 3.934 1.00 0.00 C ATOM 674 O ASN A 43 -14.806 -7.215 3.575 1.00 0.00 O ATOM 675 CB ASN A 43 -16.622 -7.257 5.513 1.00 0.00 C ATOM 676 CG ASN A 43 -17.346 -8.036 4.414 1.00 0.00 C ATOM 677 OD1 ASN A 43 -18.666 -7.871 4.413 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -16.746 -8.740 3.620 1.00 0.00 N flip ATOM 0 H ASN A 43 -17.700 -4.429 5.058 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.794 -5.298 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.749 -7.818 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.278 -7.144 6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.731 -8.822 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -17.259 -9.247 2.899 1.00 0.00 H new ATOM 685 N LYS A 44 -14.599 -4.967 3.446 1.00 0.00 N ATOM 686 CA LYS A 44 -13.576 -5.009 2.414 1.00 0.00 C ATOM 687 C LYS A 44 -13.045 -3.595 2.171 1.00 0.00 C ATOM 688 O LYS A 44 -13.786 -2.620 2.291 1.00 0.00 O ATOM 689 CB LYS A 44 -14.114 -5.689 1.153 1.00 0.00 C ATOM 690 CG LYS A 44 -15.090 -4.774 0.411 1.00 0.00 C ATOM 691 CD LYS A 44 -14.838 -4.814 -1.098 1.00 0.00 C ATOM 692 CE LYS A 44 -14.363 -3.453 -1.609 1.00 0.00 C ATOM 693 NZ LYS A 44 -14.720 -3.281 -3.035 1.00 0.00 N ATOM 0 H LYS A 44 -14.864 -4.029 3.746 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.731 -5.616 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.285 -5.952 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.615 -6.619 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.114 -5.082 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.984 -3.752 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.090 -5.573 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.753 -5.102 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.815 -2.658 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.283 -3.368 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.405 -2.345 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.255 -4.019 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.751 -3.358 -3.146 1.00 0.00 H new ATOM 707 N TYR A 45 -11.766 -3.528 1.833 1.00 0.00 N ATOM 708 CA TYR A 45 -11.127 -2.249 1.571 1.00 0.00 C ATOM 709 C TYR A 45 -10.372 -2.276 0.241 1.00 0.00 C ATOM 710 O TYR A 45 -9.929 -3.334 -0.205 1.00 0.00 O ATOM 711 CB TYR A 45 -10.125 -2.039 2.709 1.00 0.00 C ATOM 712 CG TYR A 45 -10.402 -0.797 3.559 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.701 -0.382 3.772 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.353 -0.092 4.113 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.962 0.786 4.574 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.613 1.077 4.913 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.904 1.457 5.104 1.00 0.00 C ATOM 718 OH TYR A 45 -11.151 2.561 5.860 1.00 0.00 O ATOM 0 H TYR A 45 -11.155 -4.338 1.734 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.869 -1.453 1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.133 -2.918 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.123 -1.963 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.522 -0.933 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.337 -0.417 3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.974 1.121 4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.801 1.639 5.351 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.303 2.939 6.174 1.00 0.00 H new ATOM 728 N GLN A 46 -10.246 -1.099 -0.355 1.00 0.00 N ATOM 729 CA GLN A 46 -9.552 -0.974 -1.625 1.00 0.00 C ATOM 730 C GLN A 46 -8.063 -0.716 -1.393 1.00 0.00 C ATOM 731 O GLN A 46 -7.694 0.200 -0.661 1.00 0.00 O ATOM 732 CB GLN A 46 -10.172 0.131 -2.482 1.00 0.00 C ATOM 733 CG GLN A 46 -9.519 0.184 -3.865 1.00 0.00 C ATOM 734 CD GLN A 46 -10.270 1.144 -4.789 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.284 0.813 -5.382 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.719 2.351 -4.879 1.00 0.00 N ATOM 0 H GLN A 46 -10.613 -0.224 0.018 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.658 -1.913 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.243 -0.044 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.054 1.093 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.481 0.503 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.507 -0.814 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.869 2.564 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.146 3.064 -5.471 1.00 0.00 H new ATOM 745 N VAL A 47 -7.246 -1.543 -2.031 1.00 0.00 N ATOM 746 CA VAL A 47 -5.803 -1.415 -1.903 1.00 0.00 C ATOM 747 C VAL A 47 -5.185 -1.258 -3.293 1.00 0.00 C ATOM 748 O VAL A 47 -5.541 -1.983 -4.221 1.00 0.00 O ATOM 749 CB VAL A 47 -5.240 -2.609 -1.128 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.733 -2.749 -1.357 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.560 -2.495 0.363 1.00 0.00 C ATOM 0 H VAL A 47 -7.555 -2.303 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.546 -0.523 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.722 -3.511 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.358 -3.604 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.539 -2.898 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.228 -1.844 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.149 -3.356 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.119 -1.581 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.641 -2.467 0.502 1.00 0.00 H new ATOM 761 N PHE A 48 -4.268 -0.306 -3.394 1.00 0.00 N ATOM 762 CA PHE A 48 -3.596 -0.044 -4.655 1.00 0.00 C ATOM 763 C PHE A 48 -2.121 -0.444 -4.584 1.00 0.00 C ATOM 764 O PHE A 48 -1.346 0.156 -3.838 1.00 0.00 O ATOM 765 CB PHE A 48 -3.693 1.461 -4.909 1.00 0.00 C ATOM 766 CG PHE A 48 -4.439 1.828 -6.194 1.00 0.00 C ATOM 767 CD1 PHE A 48 -5.797 1.764 -6.234 1.00 0.00 C ATOM 768 CD2 PHE A 48 -3.744 2.217 -7.296 1.00 0.00 C ATOM 769 CE1 PHE A 48 -6.489 2.105 -7.427 1.00 0.00 C ATOM 770 CE2 PHE A 48 -4.436 2.557 -8.490 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.794 2.494 -8.528 1.00 0.00 C ATOM 0 H PHE A 48 -3.975 0.293 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.063 -0.622 -5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.195 1.930 -4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.687 1.877 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.349 1.454 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.666 2.268 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.567 2.055 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.884 2.865 -9.366 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.321 2.753 -9.434 1.00 0.00 H new ATOM 781 N PHE A 49 -1.775 -1.453 -5.368 1.00 0.00 N ATOM 782 CA PHE A 49 -0.406 -1.939 -5.404 1.00 0.00 C ATOM 783 C PHE A 49 0.429 -1.153 -6.415 1.00 0.00 C ATOM 784 O PHE A 49 0.054 -1.039 -7.581 1.00 0.00 O ATOM 785 CB PHE A 49 -0.463 -3.405 -5.838 1.00 0.00 C ATOM 786 CG PHE A 49 -0.660 -4.390 -4.682 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.704 -4.231 -3.824 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.206 -5.423 -4.515 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.886 -5.143 -2.752 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.024 -6.335 -3.442 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.019 -6.177 -2.584 1.00 0.00 C ATOM 0 H PHE A 49 -2.419 -1.948 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 49 0.056 -1.822 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.277 -3.531 -6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.460 -3.655 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.394 -3.411 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.033 -5.551 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.713 -5.016 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.714 -7.155 -3.307 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.159 -6.872 -1.770 1.00 0.00 H new ATOM 801 N PHE A 50 1.546 -0.628 -5.932 1.00 0.00 N ATOM 802 CA PHE A 50 2.438 0.146 -6.780 1.00 0.00 C ATOM 803 C PHE A 50 3.293 -0.772 -7.655 1.00 0.00 C ATOM 804 O PHE A 50 3.252 -0.682 -8.882 1.00 0.00 O ATOM 805 CB PHE A 50 3.353 0.945 -5.852 1.00 0.00 C ATOM 806 CG PHE A 50 2.773 2.291 -5.411 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.771 3.344 -6.271 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.258 2.432 -4.161 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.231 4.592 -5.863 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.719 3.680 -3.753 1.00 0.00 C ATOM 811 CZ PHE A 50 1.716 4.735 -4.612 1.00 0.00 C ATOM 0 H PHE A 50 1.854 -0.723 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 50 1.859 0.795 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.567 0.346 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.303 1.119 -6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.180 3.231 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.259 1.595 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.229 5.428 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.311 3.792 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.305 5.684 -4.301 1.00 0.00 H new ATOM 821 N GLY A 51 4.049 -1.634 -6.992 1.00 0.00 N ATOM 822 CA GLY A 51 4.913 -2.567 -7.696 1.00 0.00 C ATOM 823 C GLY A 51 4.225 -3.118 -8.946 1.00 0.00 C ATOM 824 O GLY A 51 4.750 -3.001 -10.051 1.00 0.00 O ATOM 0 H GLY A 51 4.082 -1.706 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.840 -2.068 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.183 -3.389 -7.033 1.00 0.00 H new ATOM 828 N THR A 52 3.057 -3.706 -8.728 1.00 0.00 N ATOM 829 CA THR A 52 2.291 -4.275 -9.823 1.00 0.00 C ATOM 830 C THR A 52 1.538 -3.176 -10.576 1.00 0.00 C ATOM 831 O THR A 52 1.315 -3.283 -11.781 1.00 0.00 O ATOM 832 CB THR A 52 1.373 -5.354 -9.248 1.00 0.00 C ATOM 833 OG1 THR A 52 0.569 -4.658 -8.299 1.00 0.00 O ATOM 834 CG2 THR A 52 2.133 -6.383 -8.407 1.00 0.00 C ATOM 0 H THR A 52 2.623 -3.800 -7.810 1.00 0.00 H new ATOM 0 HA THR A 52 2.944 -4.742 -10.560 1.00 0.00 H new ATOM 0 HB THR A 52 0.856 -5.861 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.057 -5.303 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.434 -7.126 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.883 -6.876 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.623 -5.881 -7.573 1.00 0.00 H new ATOM 842 N HIS A 53 1.167 -2.143 -9.833 1.00 0.00 N ATOM 843 CA HIS A 53 0.444 -1.025 -10.413 1.00 0.00 C ATOM 844 C HIS A 53 -1.004 -1.436 -10.688 1.00 0.00 C ATOM 845 O HIS A 53 -1.577 -1.061 -11.709 1.00 0.00 O ATOM 846 CB HIS A 53 1.159 -0.506 -11.663 1.00 0.00 C ATOM 847 CG HIS A 53 0.975 0.973 -11.906 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.037 1.839 -12.098 1.00 0.00 N ATOM 849 CD2 HIS A 53 -0.158 1.728 -11.987 1.00 0.00 C ATOM 850 CE1 HIS A 53 1.554 3.059 -12.284 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.193 2.989 -12.215 1.00 0.00 N ATOM 0 H HIS A 53 1.354 -2.058 -8.834 1.00 0.00 H new ATOM 0 HA HIS A 53 0.422 -0.196 -9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.224 -0.720 -11.575 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.795 -1.055 -12.532 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.024 1.582 -12.097 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.169 1.363 -11.883 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.136 3.952 -12.459 1.00 0.00 H new ATOM 859 N GLU A 54 -1.555 -2.202 -9.756 1.00 0.00 N ATOM 860 CA GLU A 54 -2.924 -2.668 -9.885 1.00 0.00 C ATOM 861 C GLU A 54 -3.632 -2.619 -8.529 1.00 0.00 C ATOM 862 O GLU A 54 -2.979 -2.598 -7.486 1.00 0.00 O ATOM 863 CB GLU A 54 -2.970 -4.079 -10.475 1.00 0.00 C ATOM 864 CG GLU A 54 -2.328 -5.092 -9.526 1.00 0.00 C ATOM 865 CD GLU A 54 -2.705 -6.523 -9.914 1.00 0.00 C ATOM 866 OE1 GLU A 54 -2.179 -6.989 -10.947 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.511 -7.120 -9.167 1.00 0.00 O ATOM 0 H GLU A 54 -1.077 -2.511 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.449 -2.004 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.005 -4.362 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.451 -4.093 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.244 -4.979 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.649 -4.892 -8.504 1.00 0.00 H new ATOM 874 N THR A 55 -4.954 -2.600 -8.589 1.00 0.00 N ATOM 875 CA THR A 55 -5.757 -2.553 -7.378 1.00 0.00 C ATOM 876 C THR A 55 -6.256 -3.953 -7.014 1.00 0.00 C ATOM 877 O THR A 55 -6.498 -4.778 -7.893 1.00 0.00 O ATOM 878 CB THR A 55 -6.886 -1.544 -7.598 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.212 -0.347 -7.979 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.600 -1.171 -6.297 1.00 0.00 C ATOM 0 H THR A 55 -5.490 -2.616 -9.456 1.00 0.00 H new ATOM 0 HA THR A 55 -5.166 -2.221 -6.525 1.00 0.00 H new ATOM 0 HB THR A 55 -7.608 -1.955 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.623 0.418 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.392 -0.453 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.033 -2.066 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.885 -0.728 -5.604 1.00 0.00 H new ATOM 888 N ALA A 56 -6.395 -4.176 -5.715 1.00 0.00 N ATOM 889 CA ALA A 56 -6.861 -5.463 -5.224 1.00 0.00 C ATOM 890 C ALA A 56 -7.674 -5.251 -3.945 1.00 0.00 C ATOM 891 O ALA A 56 -7.317 -4.421 -3.110 1.00 0.00 O ATOM 892 CB ALA A 56 -5.665 -6.391 -5.007 1.00 0.00 C ATOM 0 H ALA A 56 -6.194 -3.489 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.514 -5.939 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.015 -7.355 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.138 -6.532 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.988 -5.948 -4.276 1.00 0.00 H new ATOM 898 N PHE A 57 -8.750 -6.014 -3.832 1.00 0.00 N ATOM 899 CA PHE A 57 -9.616 -5.921 -2.670 1.00 0.00 C ATOM 900 C PHE A 57 -8.975 -6.591 -1.453 1.00 0.00 C ATOM 901 O PHE A 57 -9.003 -7.814 -1.326 1.00 0.00 O ATOM 902 CB PHE A 57 -10.913 -6.655 -3.016 1.00 0.00 C ATOM 903 CG PHE A 57 -11.587 -6.154 -4.295 1.00 0.00 C ATOM 904 CD1 PHE A 57 -12.104 -4.897 -4.345 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.671 -6.967 -5.383 1.00 0.00 C ATOM 906 CE1 PHE A 57 -12.730 -4.433 -5.532 1.00 0.00 C ATOM 907 CE2 PHE A 57 -12.299 -6.503 -6.569 1.00 0.00 C ATOM 908 CZ PHE A 57 -12.814 -5.246 -6.619 1.00 0.00 C ATOM 0 H PHE A 57 -9.042 -6.701 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.795 -4.874 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.700 -7.719 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.610 -6.551 -2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.038 -4.252 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.260 -7.965 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.139 -3.434 -5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.368 -7.149 -7.432 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.290 -4.893 -7.522 1.00 0.00 H new ATOM 918 N LEU A 58 -8.410 -5.760 -0.588 1.00 0.00 N ATOM 919 CA LEU A 58 -7.763 -6.258 0.614 1.00 0.00 C ATOM 920 C LEU A 58 -8.259 -5.461 1.822 1.00 0.00 C ATOM 921 O LEU A 58 -8.981 -4.478 1.667 1.00 0.00 O ATOM 922 CB LEU A 58 -6.241 -6.240 0.449 1.00 0.00 C ATOM 923 CG LEU A 58 -5.642 -7.382 -0.374 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.120 -7.427 -0.225 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.292 -8.720 -0.010 1.00 0.00 C ATOM 0 H LEU A 58 -8.387 -4.746 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.030 -7.300 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.957 -5.296 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.788 -6.256 1.440 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.857 -7.193 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.720 -8.248 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.693 -6.486 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.861 -7.579 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.848 -9.515 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.128 -8.928 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.363 -8.670 -0.209 1.00 0.00 H new ATOM 937 N GLY A 59 -7.853 -5.917 2.998 1.00 0.00 N ATOM 938 CA GLY A 59 -8.249 -5.260 4.233 1.00 0.00 C ATOM 939 C GLY A 59 -7.027 -4.925 5.090 1.00 0.00 C ATOM 940 O GLY A 59 -5.915 -4.812 4.578 1.00 0.00 O ATOM 0 H GLY A 59 -7.254 -6.733 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.799 -4.347 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.925 -5.907 4.793 1.00 0.00 H new ATOM 944 N PRO A 60 -7.282 -4.772 6.417 1.00 0.00 N ATOM 945 CA PRO A 60 -6.216 -4.450 7.352 1.00 0.00 C ATOM 946 C PRO A 60 -5.342 -5.676 7.627 1.00 0.00 C ATOM 947 O PRO A 60 -4.179 -5.541 8.006 1.00 0.00 O ATOM 948 CB PRO A 60 -6.924 -3.936 8.595 1.00 0.00 C ATOM 949 CG PRO A 60 -8.360 -4.420 8.486 1.00 0.00 C ATOM 950 CD PRO A 60 -8.587 -4.897 7.062 1.00 0.00 C ATOM 0 HA PRO A 60 -5.528 -3.700 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.451 -4.317 9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.881 -2.848 8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.544 -5.229 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.053 -3.616 8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.942 -5.927 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.339 -4.291 6.556 1.00 0.00 H new ATOM 958 N LYS A 61 -5.935 -6.843 7.425 1.00 0.00 N ATOM 959 CA LYS A 61 -5.224 -8.091 7.646 1.00 0.00 C ATOM 960 C LYS A 61 -4.202 -8.297 6.526 1.00 0.00 C ATOM 961 O LYS A 61 -3.246 -9.054 6.683 1.00 0.00 O ATOM 962 CB LYS A 61 -6.211 -9.250 7.799 1.00 0.00 C ATOM 963 CG LYS A 61 -5.474 -10.568 8.052 1.00 0.00 C ATOM 964 CD LYS A 61 -5.958 -11.658 7.092 1.00 0.00 C ATOM 965 CE LYS A 61 -4.930 -12.787 6.984 1.00 0.00 C ATOM 966 NZ LYS A 61 -5.520 -14.068 7.435 1.00 0.00 N ATOM 0 H LYS A 61 -6.899 -6.951 7.111 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.667 -8.051 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.892 -9.046 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.819 -9.336 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.401 -10.419 7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.635 -10.887 9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.909 -12.059 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.136 -11.227 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.589 -12.879 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.055 -12.550 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.810 -14.824 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.824 -13.981 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.341 -14.300 6.841 1.00 0.00 H new ATOM 980 N ASP A 62 -4.440 -7.611 5.418 1.00 0.00 N ATOM 981 CA ASP A 62 -3.553 -7.709 4.271 1.00 0.00 C ATOM 982 C ASP A 62 -2.705 -6.439 4.178 1.00 0.00 C ATOM 983 O ASP A 62 -2.025 -6.215 3.178 1.00 0.00 O ATOM 984 CB ASP A 62 -4.347 -7.843 2.970 1.00 0.00 C ATOM 985 CG ASP A 62 -4.656 -9.281 2.547 1.00 0.00 C ATOM 986 OD1 ASP A 62 -3.767 -9.890 1.916 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.776 -9.738 2.864 1.00 0.00 O ATOM 0 H ASP A 62 -5.235 -6.985 5.290 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.927 -8.591 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.287 -7.302 3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.789 -7.356 2.170 1.00 0.00 H new ATOM 992 N LEU A 63 -2.773 -5.641 5.233 1.00 0.00 N ATOM 993 CA LEU A 63 -2.019 -4.399 5.283 1.00 0.00 C ATOM 994 C LEU A 63 -1.329 -4.282 6.643 1.00 0.00 C ATOM 995 O LEU A 63 -1.953 -4.501 7.682 1.00 0.00 O ATOM 996 CB LEU A 63 -2.922 -3.212 4.946 1.00 0.00 C ATOM 997 CG LEU A 63 -2.855 -2.705 3.503 1.00 0.00 C ATOM 998 CD1 LEU A 63 -3.821 -1.540 3.284 1.00 0.00 C ATOM 999 CD2 LEU A 63 -1.420 -2.340 3.118 1.00 0.00 C ATOM 0 H LEU A 63 -3.339 -5.830 6.060 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.234 -4.397 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.953 -3.492 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.668 -2.387 5.612 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.172 -3.512 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.752 -1.200 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.840 -1.868 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.560 -0.720 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.399 -1.983 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.053 -1.557 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.784 -3.220 3.209 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.051 -3.934 6.595 1.00 0.00 N ATOM 1012 CA PHE A 64 0.730 -3.784 7.810 1.00 0.00 C ATOM 1013 C PHE A 64 1.549 -2.492 7.780 1.00 0.00 C ATOM 1014 O PHE A 64 2.204 -2.192 6.783 1.00 0.00 O ATOM 1015 CB PHE A 64 1.685 -4.977 7.879 1.00 0.00 C ATOM 1016 CG PHE A 64 1.380 -5.955 9.016 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.122 -6.447 9.170 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.367 -6.331 9.872 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.161 -7.354 10.225 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.084 -7.238 10.927 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.826 -7.731 11.082 1.00 0.00 C ATOM 0 H PHE A 64 0.463 -3.752 5.733 1.00 0.00 H new ATOM 0 HA PHE A 64 0.067 -3.743 8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.647 -5.515 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.704 -4.607 7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.662 -6.148 8.490 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.366 -5.940 9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.160 -7.745 10.347 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.868 -7.537 11.607 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.611 -8.421 11.885 1.00 0.00 H new ATOM 1031 N PRO A 65 1.482 -1.743 8.913 1.00 0.00 N ATOM 1032 CA PRO A 65 2.209 -0.490 9.025 1.00 0.00 C ATOM 1033 C PRO A 65 3.704 -0.740 9.236 1.00 0.00 C ATOM 1034 O PRO A 65 4.107 -1.842 9.604 1.00 0.00 O ATOM 1035 CB PRO A 65 1.560 0.240 10.190 1.00 0.00 C ATOM 1036 CG PRO A 65 0.807 -0.821 10.976 1.00 0.00 C ATOM 1037 CD PRO A 65 0.717 -2.068 10.113 1.00 0.00 C ATOM 0 HA PRO A 65 2.154 0.109 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.310 0.729 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.884 1.018 9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.323 -1.041 11.911 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.190 -0.466 11.238 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.133 -2.935 10.625 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.318 -2.308 9.870 1.00 0.00 H new ATOM 1045 N TYR A 66 4.486 0.302 8.996 1.00 0.00 N ATOM 1046 CA TYR A 66 5.928 0.209 9.155 1.00 0.00 C ATOM 1047 C TYR A 66 6.297 -0.177 10.588 1.00 0.00 C ATOM 1048 O TYR A 66 7.194 -0.990 10.805 1.00 0.00 O ATOM 1049 CB TYR A 66 6.476 1.606 8.858 1.00 0.00 C ATOM 1050 CG TYR A 66 7.825 1.899 9.519 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.956 1.225 9.106 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.908 2.836 10.528 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.224 1.501 9.727 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.178 3.111 11.151 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.273 2.430 10.720 1.00 0.00 C ATOM 1056 OH TYR A 66 11.471 2.691 11.307 1.00 0.00 O ATOM 0 H TYR A 66 4.149 1.215 8.693 1.00 0.00 H new ATOM 0 HA TYR A 66 6.339 -0.551 8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.579 1.723 7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.751 2.348 9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.889 0.491 8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.022 3.363 10.851 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.117 0.982 9.412 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.258 3.842 11.942 1.00 0.00 H new ATOM 0 HH TYR A 66 11.354 3.376 11.998 1.00 0.00 H new ATOM 1066 N GLU A 67 5.586 0.424 11.530 1.00 0.00 N ATOM 1067 CA GLU A 67 5.828 0.154 12.938 1.00 0.00 C ATOM 1068 C GLU A 67 5.782 -1.352 13.204 1.00 0.00 C ATOM 1069 O GLU A 67 6.675 -1.899 13.850 1.00 0.00 O ATOM 1070 CB GLU A 67 4.824 0.897 13.820 1.00 0.00 C ATOM 1071 CG GLU A 67 5.525 1.941 14.691 1.00 0.00 C ATOM 1072 CD GLU A 67 4.705 2.247 15.947 1.00 0.00 C ATOM 1073 OE1 GLU A 67 4.063 1.301 16.450 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.740 3.421 16.375 1.00 0.00 O ATOM 0 H GLU A 67 4.842 1.097 11.347 1.00 0.00 H new ATOM 0 HA GLU A 67 6.823 0.519 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.076 1.384 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.295 0.185 14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.512 1.578 14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.675 2.856 14.118 1.00 0.00 H new ATOM 1081 N GLU A 68 4.734 -1.980 12.694 1.00 0.00 N ATOM 1082 CA GLU A 68 4.560 -3.411 12.868 1.00 0.00 C ATOM 1083 C GLU A 68 5.512 -4.178 11.947 1.00 0.00 C ATOM 1084 O GLU A 68 6.163 -5.130 12.375 1.00 0.00 O ATOM 1085 CB GLU A 68 3.108 -3.823 12.620 1.00 0.00 C ATOM 1086 CG GLU A 68 2.333 -3.922 13.936 1.00 0.00 C ATOM 1087 CD GLU A 68 1.653 -5.287 14.069 1.00 0.00 C ATOM 1088 OE1 GLU A 68 0.699 -5.524 13.298 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.104 -6.062 14.940 1.00 0.00 O ATOM 0 H GLU A 68 3.995 -1.523 12.159 1.00 0.00 H new ATOM 0 HA GLU A 68 4.802 -3.662 13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.627 -3.097 11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.082 -4.783 12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.012 -3.766 14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.583 -3.132 13.981 1.00 0.00 H new ATOM 1096 N SER A 69 5.563 -3.733 10.700 1.00 0.00 N ATOM 1097 CA SER A 69 6.424 -4.365 9.715 1.00 0.00 C ATOM 1098 C SER A 69 7.870 -4.378 10.215 1.00 0.00 C ATOM 1099 O SER A 69 8.520 -5.422 10.220 1.00 0.00 O ATOM 1100 CB SER A 69 6.336 -3.650 8.366 1.00 0.00 C ATOM 1101 OG SER A 69 7.497 -2.867 8.099 1.00 0.00 O ATOM 0 H SER A 69 5.022 -2.943 10.349 1.00 0.00 H new ATOM 0 HA SER A 69 6.085 -5.391 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.206 -4.387 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.455 -3.008 8.353 1.00 0.00 H new ATOM 0 HG SER A 69 7.402 -2.428 7.228 1.00 0.00 H new ATOM 1107 N LYS A 70 8.331 -3.205 10.625 1.00 0.00 N ATOM 1108 CA LYS A 70 9.688 -3.068 11.127 1.00 0.00 C ATOM 1109 C LYS A 70 9.825 -3.849 12.435 1.00 0.00 C ATOM 1110 O LYS A 70 10.923 -4.265 12.803 1.00 0.00 O ATOM 1111 CB LYS A 70 10.067 -1.591 11.249 1.00 0.00 C ATOM 1112 CG LYS A 70 9.317 -0.926 12.406 1.00 0.00 C ATOM 1113 CD LYS A 70 10.166 -0.922 13.678 1.00 0.00 C ATOM 1114 CE LYS A 70 9.870 0.314 14.530 1.00 0.00 C ATOM 1115 NZ LYS A 70 8.841 0.007 15.549 1.00 0.00 N ATOM 0 H LYS A 70 7.789 -2.341 10.620 1.00 0.00 H new ATOM 0 HA LYS A 70 10.400 -3.499 10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.142 -1.499 11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.837 -1.075 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.056 0.097 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.382 -1.455 12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.965 -1.824 14.257 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.223 -0.942 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.783 0.654 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.527 1.129 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.408 0.892 15.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.108 -0.600 15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.283 -0.487 16.351 1.00 0.00 H new ATOM 1129 N GLU A 71 8.694 -4.025 13.104 1.00 0.00 N ATOM 1130 CA GLU A 71 8.674 -4.748 14.364 1.00 0.00 C ATOM 1131 C GLU A 71 9.196 -6.172 14.166 1.00 0.00 C ATOM 1132 O GLU A 71 9.968 -6.673 14.982 1.00 0.00 O ATOM 1133 CB GLU A 71 7.269 -4.756 14.968 1.00 0.00 C ATOM 1134 CG GLU A 71 7.321 -4.535 16.482 1.00 0.00 C ATOM 1135 CD GLU A 71 6.758 -5.744 17.232 1.00 0.00 C ATOM 1136 OE1 GLU A 71 5.559 -6.033 17.022 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.536 -6.351 17.998 1.00 0.00 O ATOM 0 H GLU A 71 7.785 -3.679 12.797 1.00 0.00 H new ATOM 0 HA GLU A 71 9.332 -4.236 15.066 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.665 -3.976 14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.782 -5.707 14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.351 -4.357 16.792 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.751 -3.643 16.743 1.00 0.00 H new ATOM 1144 N LYS A 72 8.752 -6.785 13.077 1.00 0.00 N ATOM 1145 CA LYS A 72 9.164 -8.143 12.764 1.00 0.00 C ATOM 1146 C LYS A 72 10.211 -8.107 11.646 1.00 0.00 C ATOM 1147 O LYS A 72 11.366 -8.466 11.863 1.00 0.00 O ATOM 1148 CB LYS A 72 7.947 -9.010 12.439 1.00 0.00 C ATOM 1149 CG LYS A 72 8.373 -10.345 11.824 1.00 0.00 C ATOM 1150 CD LYS A 72 8.896 -11.301 12.898 1.00 0.00 C ATOM 1151 CE LYS A 72 10.423 -11.387 12.859 1.00 0.00 C ATOM 1152 NZ LYS A 72 10.898 -12.527 13.675 1.00 0.00 N ATOM 0 H LYS A 72 8.112 -6.366 12.402 1.00 0.00 H new ATOM 0 HA LYS A 72 9.636 -8.609 13.629 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.372 -9.191 13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.292 -8.479 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.526 -10.799 11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.147 -10.174 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.572 -10.961 13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.468 -12.292 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.761 -11.503 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.855 -10.459 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.936 -12.572 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.592 -12.400 14.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.500 -13.412 13.300 1.00 0.00 H new ATOM 1166 N PHE A 73 9.764 -7.671 10.477 1.00 0.00 N ATOM 1167 CA PHE A 73 10.647 -7.586 9.326 1.00 0.00 C ATOM 1168 C PHE A 73 10.526 -6.223 8.642 1.00 0.00 C ATOM 1169 O PHE A 73 11.428 -5.394 8.736 1.00 0.00 O ATOM 1170 CB PHE A 73 10.212 -8.675 8.345 1.00 0.00 C ATOM 1171 CG PHE A 73 11.137 -9.894 8.318 1.00 0.00 C ATOM 1172 CD1 PHE A 73 11.493 -10.504 9.480 1.00 0.00 C ATOM 1173 CD2 PHE A 73 11.602 -10.368 7.130 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.352 -11.635 9.454 1.00 0.00 C ATOM 1175 CE2 PHE A 73 12.460 -11.497 7.104 1.00 0.00 C ATOM 1176 CZ PHE A 73 12.818 -12.108 8.266 1.00 0.00 C ATOM 0 H PHE A 73 8.804 -7.373 10.302 1.00 0.00 H new ATOM 0 HA PHE A 73 11.682 -7.714 9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.205 -9.002 8.604 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.161 -8.248 7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.123 -10.129 10.423 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.318 -9.884 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.635 -12.119 10.377 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.830 -11.872 6.161 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.471 -12.968 8.246 1.00 0.00 H new ATOM 1186 N GLY A 74 9.399 -6.033 7.969 1.00 0.00 N ATOM 1187 CA GLY A 74 9.146 -4.785 7.270 1.00 0.00 C ATOM 1188 C GLY A 74 9.951 -4.712 5.969 1.00 0.00 C ATOM 1189 O GLY A 74 9.901 -3.708 5.260 1.00 0.00 O ATOM 0 H GLY A 74 8.652 -6.723 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.082 -4.697 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.409 -3.944 7.912 1.00 0.00 H new ATOM 1193 N LYS A 75 10.674 -5.788 5.698 1.00 0.00 N ATOM 1194 CA LYS A 75 11.488 -5.858 4.497 1.00 0.00 C ATOM 1195 C LYS A 75 11.242 -7.196 3.797 1.00 0.00 C ATOM 1196 O LYS A 75 11.874 -8.199 4.124 1.00 0.00 O ATOM 1197 CB LYS A 75 12.959 -5.601 4.829 1.00 0.00 C ATOM 1198 CG LYS A 75 13.442 -6.539 5.938 1.00 0.00 C ATOM 1199 CD LYS A 75 14.320 -7.655 5.366 1.00 0.00 C ATOM 1200 CE LYS A 75 15.515 -7.934 6.279 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.512 -8.778 5.584 1.00 0.00 N ATOM 0 H LYS A 75 10.713 -6.618 6.289 1.00 0.00 H new ATOM 0 HA LYS A 75 11.201 -5.073 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.568 -5.744 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.090 -4.565 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.005 -5.972 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.584 -6.973 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.729 -8.563 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.673 -7.373 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.975 -6.994 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.177 -8.433 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.317 -8.958 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.074 -9.682 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.847 -8.288 4.730 1.00 0.00 H new ATOM 1215 N PRO A 76 10.294 -7.168 2.821 1.00 0.00 N ATOM 1216 CA PRO A 76 9.955 -8.366 2.072 1.00 0.00 C ATOM 1217 C PRO A 76 11.047 -8.702 1.052 1.00 0.00 C ATOM 1218 O PRO A 76 12.005 -7.949 0.893 1.00 0.00 O ATOM 1219 CB PRO A 76 8.613 -8.061 1.427 1.00 0.00 C ATOM 1220 CG PRO A 76 8.471 -6.548 1.457 1.00 0.00 C ATOM 1221 CD PRO A 76 9.523 -6.000 2.405 1.00 0.00 C ATOM 0 HA PRO A 76 9.885 -9.252 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.577 -8.437 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.800 -8.541 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.604 -6.132 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.472 -6.265 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.156 -5.264 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.065 -5.503 3.260 1.00 0.00 H new ATOM 1229 N ASN A 77 10.862 -9.834 0.388 1.00 0.00 N ATOM 1230 CA ASN A 77 11.817 -10.279 -0.612 1.00 0.00 C ATOM 1231 C ASN A 77 12.133 -9.120 -1.560 1.00 0.00 C ATOM 1232 O ASN A 77 11.242 -8.361 -1.937 1.00 0.00 O ATOM 1233 CB ASN A 77 11.249 -11.429 -1.444 1.00 0.00 C ATOM 1234 CG ASN A 77 10.525 -12.443 -0.555 1.00 0.00 C ATOM 1235 OD1 ASN A 77 9.270 -12.110 -0.266 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 11.069 -13.460 -0.158 1.00 0.00 N flip ATOM 0 H ASN A 77 10.065 -10.456 0.523 1.00 0.00 H new ATOM 0 HA ASN A 77 12.714 -10.619 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.559 -11.036 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.055 -11.924 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.036 -13.656 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.557 -14.115 0.433 1.00 0.00 H new ATOM 1243 N LYS A 78 13.405 -9.021 -1.920 1.00 0.00 N ATOM 1244 CA LYS A 78 13.849 -7.968 -2.818 1.00 0.00 C ATOM 1245 C LYS A 78 13.824 -8.487 -4.257 1.00 0.00 C ATOM 1246 O LYS A 78 14.811 -9.038 -4.740 1.00 0.00 O ATOM 1247 CB LYS A 78 15.214 -7.434 -2.380 1.00 0.00 C ATOM 1248 CG LYS A 78 15.749 -6.411 -3.386 1.00 0.00 C ATOM 1249 CD LYS A 78 15.632 -4.989 -2.836 1.00 0.00 C ATOM 1250 CE LYS A 78 16.940 -4.545 -2.179 1.00 0.00 C ATOM 1251 NZ LYS A 78 17.395 -3.257 -2.750 1.00 0.00 N ATOM 0 H LYS A 78 14.142 -9.653 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 78 13.170 -7.117 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.130 -6.973 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.919 -8.260 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.792 -6.632 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.194 -6.490 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.376 -4.303 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.822 -4.942 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.797 -4.443 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.706 -5.306 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.284 -2.970 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.551 -3.366 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.670 -2.529 -2.586 1.00 0.00 H new ATOM 1265 N ARG A 79 12.682 -8.291 -4.902 1.00 0.00 N ATOM 1266 CA ARG A 79 12.514 -8.732 -6.276 1.00 0.00 C ATOM 1267 C ARG A 79 12.673 -7.550 -7.235 1.00 0.00 C ATOM 1268 O ARG A 79 12.994 -6.441 -6.812 1.00 0.00 O ATOM 1269 CB ARG A 79 11.139 -9.370 -6.486 1.00 0.00 C ATOM 1270 CG ARG A 79 11.107 -10.797 -5.938 1.00 0.00 C ATOM 1271 CD ARG A 79 11.648 -11.792 -6.967 1.00 0.00 C ATOM 1272 NE ARG A 79 10.549 -12.261 -7.842 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.623 -13.344 -8.627 1.00 0.00 C ATOM 1274 NH1 ARG A 79 11.745 -14.077 -8.652 1.00 0.00 N ATOM 1275 NH2 ARG A 79 9.577 -13.694 -9.388 1.00 0.00 N ATOM 0 H ARG A 79 11.865 -7.833 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 79 13.282 -9.477 -6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.376 -8.769 -5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.897 -9.379 -7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.701 -10.853 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.085 -11.065 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.426 -11.321 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.107 -12.640 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 79 9.681 -11.726 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.542 -13.810 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.802 -14.902 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.724 -13.136 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.634 -14.519 -9.985 1.00 0.00 H new ATOM 1289 N LYS A 80 12.442 -7.829 -8.510 1.00 0.00 N ATOM 1290 CA LYS A 80 12.555 -6.803 -9.533 1.00 0.00 C ATOM 1291 C LYS A 80 11.438 -5.774 -9.343 1.00 0.00 C ATOM 1292 O LYS A 80 11.685 -4.571 -9.389 1.00 0.00 O ATOM 1293 CB LYS A 80 12.578 -7.436 -10.924 1.00 0.00 C ATOM 1294 CG LYS A 80 14.006 -7.798 -11.340 1.00 0.00 C ATOM 1295 CD LYS A 80 14.157 -7.780 -12.861 1.00 0.00 C ATOM 1296 CE LYS A 80 13.532 -9.028 -13.489 1.00 0.00 C ATOM 1297 NZ LYS A 80 12.263 -8.686 -14.171 1.00 0.00 N ATOM 0 H LYS A 80 12.177 -8.751 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 80 13.500 -6.269 -9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.956 -8.331 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.149 -6.744 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.708 -7.094 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.260 -8.787 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.681 -6.887 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.213 -7.726 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.227 -9.470 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.347 -9.776 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.853 -9.544 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.596 -8.285 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.448 -7.988 -14.920 1.00 0.00 H new ATOM 1311 N GLY A 81 10.235 -6.286 -9.133 1.00 0.00 N ATOM 1312 CA GLY A 81 9.080 -5.427 -8.936 1.00 0.00 C ATOM 1313 C GLY A 81 9.131 -4.745 -7.568 1.00 0.00 C ATOM 1314 O GLY A 81 8.346 -3.838 -7.291 1.00 0.00 O ATOM 0 H GLY A 81 10.035 -7.285 -9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.046 -4.672 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.166 -6.015 -9.019 1.00 0.00 H new ATOM 1318 N PHE A 82 10.063 -5.207 -6.746 1.00 0.00 N ATOM 1319 CA PHE A 82 10.227 -4.653 -5.413 1.00 0.00 C ATOM 1320 C PHE A 82 11.060 -3.371 -5.451 1.00 0.00 C ATOM 1321 O PHE A 82 10.717 -2.384 -4.804 1.00 0.00 O ATOM 1322 CB PHE A 82 10.964 -5.703 -4.579 1.00 0.00 C ATOM 1323 CG PHE A 82 11.285 -5.251 -3.154 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.180 -4.248 -2.943 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.677 -5.853 -2.096 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.478 -3.831 -1.619 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.975 -5.433 -0.773 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.869 -4.431 -0.562 1.00 0.00 C ATOM 0 H PHE A 82 10.712 -5.959 -6.978 1.00 0.00 H new ATOM 0 HA PHE A 82 9.253 -4.409 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.358 -6.608 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.893 -5.966 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.663 -3.770 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.968 -6.650 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.190 -3.036 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.491 -5.910 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.095 -4.112 0.445 1.00 0.00 H new ATOM 1338 N SER A 83 12.139 -3.428 -6.217 1.00 0.00 N ATOM 1339 CA SER A 83 13.027 -2.284 -6.348 1.00 0.00 C ATOM 1340 C SER A 83 12.305 -1.142 -7.068 1.00 0.00 C ATOM 1341 O SER A 83 12.225 -0.030 -6.550 1.00 0.00 O ATOM 1342 CB SER A 83 14.304 -2.661 -7.099 1.00 0.00 C ATOM 1343 OG SER A 83 15.458 -2.051 -6.529 1.00 0.00 O ATOM 0 H SER A 83 12.419 -4.249 -6.754 1.00 0.00 H new ATOM 0 HA SER A 83 13.310 -1.954 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.424 -3.744 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.213 -2.360 -8.143 1.00 0.00 H new ATOM 0 HG SER A 83 16.253 -2.318 -7.036 1.00 0.00 H new ATOM 1349 N GLU A 84 11.797 -1.458 -8.249 1.00 0.00 N ATOM 1350 CA GLU A 84 11.085 -0.473 -9.046 1.00 0.00 C ATOM 1351 C GLU A 84 9.750 -0.122 -8.384 1.00 0.00 C ATOM 1352 O GLU A 84 9.230 0.977 -8.573 1.00 0.00 O ATOM 1353 CB GLU A 84 10.873 -0.972 -10.475 1.00 0.00 C ATOM 1354 CG GLU A 84 9.552 -1.733 -10.602 1.00 0.00 C ATOM 1355 CD GLU A 84 9.355 -2.258 -12.025 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.067 -1.419 -12.905 1.00 0.00 O ATOM 1357 OE2 GLU A 84 9.498 -3.488 -12.201 1.00 0.00 O ATOM 0 H GLU A 84 11.864 -2.383 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 84 11.692 0.431 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.877 -0.127 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.700 -1.621 -10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.539 -2.566 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.723 -1.077 -10.335 1.00 0.00 H new ATOM 1364 N GLY A 85 9.233 -1.076 -7.625 1.00 0.00 N ATOM 1365 CA GLY A 85 7.969 -0.881 -6.935 1.00 0.00 C ATOM 1366 C GLY A 85 8.114 0.137 -5.802 1.00 0.00 C ATOM 1367 O GLY A 85 7.399 1.137 -5.767 1.00 0.00 O ATOM 0 H GLY A 85 9.666 -1.987 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.214 -0.538 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.620 -1.832 -6.532 1.00 0.00 H new ATOM 1371 N LEU A 86 9.043 -0.155 -4.903 1.00 0.00 N ATOM 1372 CA LEU A 86 9.289 0.723 -3.772 1.00 0.00 C ATOM 1373 C LEU A 86 9.679 2.111 -4.283 1.00 0.00 C ATOM 1374 O LEU A 86 9.434 3.114 -3.617 1.00 0.00 O ATOM 1375 CB LEU A 86 10.323 0.104 -2.829 1.00 0.00 C ATOM 1376 CG LEU A 86 11.125 1.085 -1.973 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.262 1.714 -2.780 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.211 2.143 -1.351 1.00 0.00 C ATOM 0 H LEU A 86 9.633 -0.986 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 86 8.382 0.844 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.809 -0.590 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.022 -0.483 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 86 11.581 0.530 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.817 2.408 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.932 0.931 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.848 2.252 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.806 2.828 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.708 2.699 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.467 1.656 -0.720 1.00 0.00 H new ATOM 1390 N TRP A 87 10.281 2.124 -5.464 1.00 0.00 N ATOM 1391 CA TRP A 87 10.707 3.372 -6.074 1.00 0.00 C ATOM 1392 C TRP A 87 9.513 3.961 -6.829 1.00 0.00 C ATOM 1393 O TRP A 87 9.466 5.164 -7.082 1.00 0.00 O ATOM 1394 CB TRP A 87 11.931 3.157 -6.965 1.00 0.00 C ATOM 1395 CG TRP A 87 13.150 3.988 -6.559 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.464 5.233 -6.943 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.212 3.581 -5.670 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.646 5.656 -6.368 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.114 4.619 -5.569 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.402 2.375 -4.974 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.271 4.557 -4.782 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.562 2.326 -4.191 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.480 3.363 -4.079 1.00 0.00 C ATOM 0 H TRP A 87 10.484 1.290 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 87 11.024 4.085 -5.313 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.201 2.101 -6.945 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.666 3.399 -7.994 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.868 5.830 -7.617 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.093 6.562 -6.504 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.708 1.550 -5.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.964 5.383 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.756 1.420 -3.636 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.352 3.249 -3.452 1.00 0.00 H new ATOM 1414 N GLU A 88 8.579 3.086 -7.169 1.00 0.00 N ATOM 1415 CA GLU A 88 7.389 3.503 -7.890 1.00 0.00 C ATOM 1416 C GLU A 88 6.476 4.325 -6.977 1.00 0.00 C ATOM 1417 O GLU A 88 5.683 5.136 -7.452 1.00 0.00 O ATOM 1418 CB GLU A 88 6.644 2.298 -8.468 1.00 0.00 C ATOM 1419 CG GLU A 88 7.036 2.059 -9.927 1.00 0.00 C ATOM 1420 CD GLU A 88 6.072 2.772 -10.877 1.00 0.00 C ATOM 1421 OE1 GLU A 88 6.129 4.021 -10.911 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.301 2.052 -11.546 1.00 0.00 O ATOM 0 H GLU A 88 8.622 2.089 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 88 7.698 4.131 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.868 1.410 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.569 2.463 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.051 2.416 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.035 0.989 -10.137 1.00 0.00 H new ATOM 1429 N ILE A 89 6.618 4.086 -5.681 1.00 0.00 N ATOM 1430 CA ILE A 89 5.816 4.793 -4.698 1.00 0.00 C ATOM 1431 C ILE A 89 6.622 5.968 -4.138 1.00 0.00 C ATOM 1432 O ILE A 89 6.100 7.072 -3.996 1.00 0.00 O ATOM 1433 CB ILE A 89 5.310 3.827 -3.624 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.766 4.590 -2.413 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.398 2.827 -3.231 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.887 4.922 -1.427 1.00 0.00 C ATOM 0 H ILE A 89 7.277 3.413 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 89 4.924 5.211 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 89 4.482 3.254 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.284 5.510 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.003 3.992 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.013 2.152 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.696 2.251 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.262 3.364 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.474 5.464 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.351 3.999 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.636 5.540 -1.922 1.00 0.00 H new ATOM 1448 N GLU A 90 7.882 5.688 -3.835 1.00 0.00 N ATOM 1449 CA GLU A 90 8.765 6.708 -3.294 1.00 0.00 C ATOM 1450 C GLU A 90 9.196 7.676 -4.398 1.00 0.00 C ATOM 1451 O GLU A 90 9.474 8.844 -4.129 1.00 0.00 O ATOM 1452 CB GLU A 90 9.980 6.075 -2.614 1.00 0.00 C ATOM 1453 CG GLU A 90 9.679 5.741 -1.153 1.00 0.00 C ATOM 1454 CD GLU A 90 9.694 7.002 -0.287 1.00 0.00 C ATOM 1455 OE1 GLU A 90 10.813 7.501 -0.031 1.00 0.00 O ATOM 1456 OE2 GLU A 90 8.589 7.439 0.099 1.00 0.00 O ATOM 0 H GLU A 90 8.312 4.771 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 90 8.219 7.271 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.267 5.168 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.828 6.758 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.705 5.257 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.416 5.030 -0.779 1.00 0.00 H new ATOM 1463 N ASN A 91 9.236 7.156 -5.616 1.00 0.00 N ATOM 1464 CA ASN A 91 9.628 7.960 -6.760 1.00 0.00 C ATOM 1465 C ASN A 91 8.649 7.715 -7.910 1.00 0.00 C ATOM 1466 O ASN A 91 9.018 7.145 -8.935 1.00 0.00 O ATOM 1467 CB ASN A 91 11.029 7.582 -7.245 1.00 0.00 C ATOM 1468 CG ASN A 91 11.998 7.442 -6.069 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.649 6.509 -5.189 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 12.994 8.138 -5.967 1.00 0.00 N flip ATOM 0 H ASN A 91 9.003 6.187 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 91 9.622 9.006 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.985 6.644 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.396 8.342 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.203 8.837 -6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.618 8.021 -5.169 1.00 0.00 H new ATOM 1477 N ASN A 92 7.417 8.158 -7.700 1.00 0.00 N ATOM 1478 CA ASN A 92 6.381 7.994 -8.705 1.00 0.00 C ATOM 1479 C ASN A 92 6.832 8.657 -10.008 1.00 0.00 C ATOM 1480 O ASN A 92 7.649 9.577 -9.991 1.00 0.00 O ATOM 1481 CB ASN A 92 5.075 8.657 -8.264 1.00 0.00 C ATOM 1482 CG ASN A 92 5.165 10.180 -8.387 1.00 0.00 C ATOM 1483 OD1 ASN A 92 4.685 10.781 -9.335 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.805 10.768 -7.381 1.00 0.00 N ATOM 0 H ASN A 92 7.114 8.630 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 92 6.213 6.926 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.251 8.287 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.855 8.384 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.918 11.782 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.183 10.206 -6.619 1.00 0.00 H new ATOM 1491 N PRO A 93 6.266 8.151 -11.136 1.00 0.00 N ATOM 1492 CA PRO A 93 6.602 8.684 -12.446 1.00 0.00 C ATOM 1493 C PRO A 93 5.929 10.040 -12.675 1.00 0.00 C ATOM 1494 O PRO A 93 6.585 11.005 -13.062 1.00 0.00 O ATOM 1495 CB PRO A 93 6.146 7.621 -13.432 1.00 0.00 C ATOM 1496 CG PRO A 93 5.159 6.747 -12.676 1.00 0.00 C ATOM 1497 CD PRO A 93 5.297 7.062 -11.195 1.00 0.00 C ATOM 0 HA PRO A 93 7.668 8.882 -12.559 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.677 8.074 -14.305 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.991 7.034 -13.792 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.141 6.940 -13.014 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.362 5.692 -12.863 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.341 7.359 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.644 6.193 -10.636 1.00 0.00 H new ATOM 1505 N THR A 94 4.628 10.068 -12.425 1.00 0.00 N ATOM 1506 CA THR A 94 3.858 11.289 -12.601 1.00 0.00 C ATOM 1507 C THR A 94 3.879 12.120 -11.315 1.00 0.00 C ATOM 1508 O THR A 94 2.844 12.312 -10.680 1.00 0.00 O ATOM 1509 CB THR A 94 2.449 10.899 -13.049 1.00 0.00 C ATOM 1510 OG1 THR A 94 2.658 10.163 -14.252 1.00 0.00 O ATOM 1511 CG2 THR A 94 1.621 12.107 -13.491 1.00 0.00 C ATOM 0 H THR A 94 4.087 9.266 -12.102 1.00 0.00 H new ATOM 0 HA THR A 94 4.294 11.925 -13.371 1.00 0.00 H new ATOM 0 HB THR A 94 1.938 10.386 -12.234 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.794 9.870 -14.610 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.629 11.775 -13.799 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.528 12.807 -12.661 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.115 12.600 -14.328 1.00 0.00 H new ATOM 1519 N VAL A 95 5.070 12.589 -10.972 1.00 0.00 N ATOM 1520 CA VAL A 95 5.239 13.395 -9.775 1.00 0.00 C ATOM 1521 C VAL A 95 4.726 14.811 -10.042 1.00 0.00 C ATOM 1522 O VAL A 95 4.323 15.129 -11.159 1.00 0.00 O ATOM 1523 CB VAL A 95 6.700 13.363 -9.324 1.00 0.00 C ATOM 1524 CG1 VAL A 95 7.582 14.184 -10.267 1.00 0.00 C ATOM 1525 CG2 VAL A 95 6.841 13.849 -7.880 1.00 0.00 C ATOM 0 H VAL A 95 5.926 12.426 -11.502 1.00 0.00 H new ATOM 0 HA VAL A 95 4.651 12.986 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 95 7.039 12.328 -9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.616 14.145 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.518 13.773 -11.275 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.241 15.219 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.890 13.816 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.475 14.873 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.259 13.205 -7.221 1.00 0.00 H new ATOM 1535 N LYS A 96 4.756 15.625 -8.995 1.00 0.00 N ATOM 1536 CA LYS A 96 4.300 16.999 -9.104 1.00 0.00 C ATOM 1537 C LYS A 96 4.475 17.698 -7.754 1.00 0.00 C ATOM 1538 O LYS A 96 4.848 18.869 -7.700 1.00 0.00 O ATOM 1539 CB LYS A 96 2.868 17.048 -9.639 1.00 0.00 C ATOM 1540 CG LYS A 96 1.972 16.050 -8.903 1.00 0.00 C ATOM 1541 CD LYS A 96 0.685 16.721 -8.418 1.00 0.00 C ATOM 1542 CE LYS A 96 -0.094 15.798 -7.479 1.00 0.00 C ATOM 1543 NZ LYS A 96 -1.242 15.187 -8.187 1.00 0.00 N ATOM 0 H LYS A 96 5.089 15.358 -8.069 1.00 0.00 H new ATOM 0 HA LYS A 96 4.905 17.544 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.467 18.055 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.867 16.825 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.726 15.220 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.510 15.631 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.927 17.650 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.063 16.984 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.564 15.017 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.449 16.362 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.760 14.564 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.878 15.936 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.896 14.632 -8.995 1.00 0.00 H new ATOM 1557 N ALA A 97 4.198 16.950 -6.696 1.00 0.00 N ATOM 1558 CA ALA A 97 4.320 17.482 -5.350 1.00 0.00 C ATOM 1559 C ALA A 97 5.775 17.360 -4.888 1.00 0.00 C ATOM 1560 O ALA A 97 6.398 16.314 -5.062 1.00 0.00 O ATOM 1561 CB ALA A 97 3.350 16.751 -4.421 1.00 0.00 C ATOM 0 H ALA A 97 3.889 15.979 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 97 4.055 18.539 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.442 17.151 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.329 16.893 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.586 15.687 -4.413 1.00 0.00 H new ATOM 1567 N SER A 98 6.271 18.443 -4.309 1.00 0.00 N ATOM 1568 CA SER A 98 7.640 18.470 -3.820 1.00 0.00 C ATOM 1569 C SER A 98 7.914 17.232 -2.964 1.00 0.00 C ATOM 1570 O SER A 98 7.180 16.954 -2.015 1.00 0.00 O ATOM 1571 CB SER A 98 7.914 19.742 -3.017 1.00 0.00 C ATOM 1572 OG SER A 98 8.926 20.545 -3.617 1.00 0.00 O ATOM 0 H SER A 98 5.750 19.308 -4.167 1.00 0.00 H new ATOM 0 HA SER A 98 8.310 18.465 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.995 20.322 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.217 19.473 -2.005 1.00 0.00 H new ATOM 0 HG SER A 98 9.070 21.349 -3.075 1.00 0.00 H new ATOM 1578 N GLY A 99 8.970 16.520 -3.329 1.00 0.00 N ATOM 1579 CA GLY A 99 9.349 15.319 -2.604 1.00 0.00 C ATOM 1580 C GLY A 99 10.520 14.612 -3.293 1.00 0.00 C ATOM 1581 O GLY A 99 10.667 14.690 -4.511 1.00 0.00 O ATOM 0 H GLY A 99 9.575 16.752 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.626 15.578 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.496 14.643 -2.541 1.00 0.00 H new ATOM 1585 N TYR A 100 11.322 13.938 -2.481 1.00 0.00 N ATOM 1586 CA TYR A 100 12.473 13.216 -2.996 1.00 0.00 C ATOM 1587 C TYR A 100 12.658 11.886 -2.265 1.00 0.00 C ATOM 1588 O TYR A 100 11.766 11.039 -2.272 1.00 0.00 O ATOM 1589 CB TYR A 100 13.686 14.109 -2.723 1.00 0.00 C ATOM 1590 CG TYR A 100 14.763 13.446 -1.861 1.00 0.00 C ATOM 1591 CD1 TYR A 100 15.362 12.278 -2.284 1.00 0.00 C ATOM 1592 CD2 TYR A 100 15.137 14.020 -0.663 1.00 0.00 C ATOM 1593 CE1 TYR A 100 16.377 11.654 -1.474 1.00 0.00 C ATOM 1594 CE2 TYR A 100 16.151 13.396 0.148 1.00 0.00 C ATOM 1595 CZ TYR A 100 16.720 12.244 -0.298 1.00 0.00 C ATOM 1596 OH TYR A 100 17.680 11.656 0.467 1.00 0.00 O ATOM 0 H TYR A 100 11.197 13.877 -1.471 1.00 0.00 H new ATOM 0 HA TYR A 100 12.346 12.995 -4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.128 14.406 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 100 13.350 15.021 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 100 15.070 11.831 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.670 14.936 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.854 10.739 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.452 13.833 1.089 1.00 0.00 H new ATOM 0 HH TYR A 100 17.823 12.188 1.278 1.00 0.00 H new TER 1606 TYR A 100