USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 11 HIS : no HD1:sc= -0.255 X(o=-1.5,f=-1.6) USER MOD Set 1.2: A 88 ASN : amide:sc= -1.22 K(o=-1.5,f=-3.1!) USER MOD Set 2.1: A 71 ASN : amide:sc= -1.2! C(o=-1.1!,f=-12!) USER MOD Set 2.2: A 74 THR OG1 : rot -170:sc= 0.0984 USER MOD Set 3.1: A 10 TYR OH : rot -80:sc= 0.422 USER MOD Set 3.2: A 111 GLN : amide:sc= -2.93! X(o=-2.5!,f=-2.5) USER MOD Single : A 1 GLU N :NH3+ -152:sc= -0.0106 (180deg=-0.927) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0.729 K(o=0.73,f=-0.86) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.48) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 19 ASN : amide:sc= -3.52 K(o=-3.5,f=-0.46) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0.142! (180deg=-0.0967!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00262 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00605 USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 1.8 (180deg=0.418) USER MOD Single : A 46 TYR OH : rot -145:sc= 0.0794 USER MOD Single : A 49 THR OG1 : rot 32:sc= 0.206 USER MOD Single : A 60 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.336) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 85 GLN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 97 THR OG1 : rot -158:sc= -1.12 USER MOD Single : A 100 THR OG1 : rot 100:sc= -1.55 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 105 ASN : amide:sc= -1.19 K(o=-1.2,f=-6.6!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.993 K(o=-0.99,f=-3.2!) USER MOD Single : A 113 HIS : no HD1:sc=-0.00451 X(o=-0.0045,f=-0.28) USER MOD Single : A 115 ASN : amide:sc= -4.3! C(o=-4.3!,f=-4.7!) USER MOD Single : A 117 ASN : amide:sc= -2.32 K(o=-2.3,f=-8.8!) USER MOD Single : A 118 TYR OH : rot 26:sc= 1.05 USER MOD Single : A 119 GLN : amide:sc= -3.26! K(o=-3.3!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.934 14.474 1.000 1.00 0.00 N ATOM 2 CA GLU A 1 2.673 14.240 -0.458 1.00 0.00 C ATOM 3 C GLU A 1 3.894 13.651 -1.241 1.00 0.00 C ATOM 4 O GLU A 1 3.732 12.932 -2.211 1.00 0.00 O ATOM 5 CB GLU A 1 2.183 15.616 -1.039 1.00 0.00 C ATOM 6 CG GLU A 1 0.948 16.127 -0.146 1.00 0.00 C ATOM 7 CD GLU A 1 0.042 17.189 -0.795 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.231 17.518 -1.949 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.840 17.616 -0.069 1.00 0.00 O ATOM 0 H1 GLU A 1 2.042 14.398 1.529 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.606 13.762 1.351 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.335 15.424 1.133 1.00 0.00 H new ATOM 0 HA GLU A 1 1.915 13.466 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.992 16.346 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.879 15.503 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.334 15.266 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.342 16.534 0.785 1.00 0.00 H new ATOM 18 N GLN A 2 5.098 13.969 -0.836 1.00 0.00 N ATOM 19 CA GLN A 2 6.305 13.423 -1.544 1.00 0.00 C ATOM 20 C GLN A 2 7.239 12.731 -0.523 1.00 0.00 C ATOM 21 O GLN A 2 7.686 13.375 0.411 1.00 0.00 O ATOM 22 CB GLN A 2 7.009 14.605 -2.239 1.00 0.00 C ATOM 23 CG GLN A 2 6.008 15.323 -3.205 1.00 0.00 C ATOM 24 CD GLN A 2 6.640 16.605 -3.718 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.547 16.625 -4.516 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.193 17.733 -3.278 1.00 0.00 N ATOM 0 H GLN A 2 5.301 14.582 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 2 6.024 12.677 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.379 15.309 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.875 14.248 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.757 14.668 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.077 15.546 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.428 17.750 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.605 18.607 -3.605 1.00 0.00 H new ATOM 35 N ALA A 3 7.496 11.456 -0.714 1.00 0.00 N ATOM 36 CA ALA A 3 8.395 10.716 0.219 1.00 0.00 C ATOM 37 C ALA A 3 9.507 10.097 -0.651 1.00 0.00 C ATOM 38 O ALA A 3 9.247 9.306 -1.547 1.00 0.00 O ATOM 39 CB ALA A 3 7.588 9.626 0.930 1.00 0.00 C ATOM 0 H ALA A 3 7.118 10.898 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 3 8.824 11.365 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.238 9.080 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.773 10.084 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.178 8.937 0.192 1.00 0.00 H new ATOM 45 N ASN A 4 10.709 10.505 -0.359 1.00 0.00 N ATOM 46 CA ASN A 4 11.906 10.007 -1.101 1.00 0.00 C ATOM 47 C ASN A 4 12.810 9.186 -0.154 1.00 0.00 C ATOM 48 O ASN A 4 12.513 9.102 1.020 1.00 0.00 O ATOM 49 CB ASN A 4 12.610 11.248 -1.674 1.00 0.00 C ATOM 50 CG ASN A 4 12.921 12.239 -0.571 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.107 12.998 -0.086 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.125 12.267 -0.123 1.00 0.00 N ATOM 0 H ASN A 4 10.919 11.177 0.379 1.00 0.00 H new ATOM 0 HA ASN A 4 11.639 9.334 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.532 10.952 -2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.976 11.719 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.377 12.916 0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 4 14.829 11.640 -0.513 1.00 0.00 H new ATOM 59 N ASP A 5 13.877 8.626 -0.673 1.00 0.00 N ATOM 60 CA ASP A 5 14.849 7.779 0.116 1.00 0.00 C ATOM 61 C ASP A 5 14.104 7.028 1.281 1.00 0.00 C ATOM 62 O ASP A 5 14.531 7.004 2.422 1.00 0.00 O ATOM 63 CB ASP A 5 15.980 8.734 0.676 1.00 0.00 C ATOM 64 CG ASP A 5 16.764 9.461 -0.416 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.117 10.308 -1.014 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.930 9.128 -0.568 1.00 0.00 O ATOM 0 H ASP A 5 14.130 8.723 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 5 15.296 7.015 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.526 9.472 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.673 8.148 1.280 1.00 0.00 H new ATOM 71 N VAL A 6 13.006 6.401 0.930 1.00 0.00 N ATOM 72 CA VAL A 6 12.203 5.670 1.965 1.00 0.00 C ATOM 73 C VAL A 6 12.592 4.198 2.075 1.00 0.00 C ATOM 74 O VAL A 6 12.562 3.471 1.098 1.00 0.00 O ATOM 75 CB VAL A 6 10.685 5.768 1.603 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.797 5.471 2.840 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.319 7.156 1.075 1.00 0.00 C ATOM 0 H VAL A 6 12.633 6.363 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 6 12.408 6.139 2.927 1.00 0.00 H new ATOM 0 HB VAL A 6 10.504 5.025 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.746 5.546 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.005 4.465 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.015 6.193 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.256 7.185 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.539 7.905 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.900 7.369 0.178 1.00 0.00 H new ATOM 87 N ARG A 7 12.940 3.805 3.272 1.00 0.00 N ATOM 88 CA ARG A 7 13.346 2.390 3.545 1.00 0.00 C ATOM 89 C ARG A 7 11.984 1.694 3.570 1.00 0.00 C ATOM 90 O ARG A 7 11.340 1.618 4.597 1.00 0.00 O ATOM 91 CB ARG A 7 14.066 2.341 4.918 1.00 0.00 C ATOM 92 CG ARG A 7 15.162 3.441 4.959 1.00 0.00 C ATOM 93 CD ARG A 7 15.963 3.340 6.253 1.00 0.00 C ATOM 94 NE ARG A 7 16.713 2.041 6.187 1.00 0.00 N ATOM 95 CZ ARG A 7 17.987 2.007 6.184 1.00 0.00 C ATOM 96 NH1 ARG A 7 18.602 2.272 7.264 1.00 0.00 N ATOM 97 NH2 ARG A 7 18.542 1.707 5.084 1.00 0.00 N ATOM 0 H ARG A 7 12.961 4.415 4.089 1.00 0.00 H new ATOM 0 HA ARG A 7 14.036 1.936 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.349 2.495 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.513 1.359 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.827 3.334 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.702 4.426 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.650 4.181 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.304 3.364 7.121 1.00 0.00 H new ATOM 0 HE ARG A 7 16.191 1.166 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.076 2.505 8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 7 19.622 2.252 7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.971 1.509 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.559 1.664 5.021 1.00 0.00 H new ATOM 111 N ALA A 8 11.566 1.209 2.441 1.00 0.00 N ATOM 112 CA ALA A 8 10.241 0.533 2.370 1.00 0.00 C ATOM 113 C ALA A 8 10.177 -1.005 2.413 1.00 0.00 C ATOM 114 O ALA A 8 10.842 -1.727 1.693 1.00 0.00 O ATOM 115 CB ALA A 8 9.567 1.042 1.077 1.00 0.00 C ATOM 0 H ALA A 8 12.082 1.250 1.562 1.00 0.00 H new ATOM 0 HA ALA A 8 9.738 0.796 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.586 0.578 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.452 2.125 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.186 0.783 0.218 1.00 0.00 H new ATOM 121 N THR A 9 9.343 -1.476 3.304 1.00 0.00 N ATOM 122 CA THR A 9 9.168 -2.960 3.426 1.00 0.00 C ATOM 123 C THR A 9 8.125 -3.258 2.335 1.00 0.00 C ATOM 124 O THR A 9 7.652 -2.340 1.692 1.00 0.00 O ATOM 125 CB THR A 9 8.628 -3.337 4.813 1.00 0.00 C ATOM 126 OG1 THR A 9 8.521 -4.757 4.735 1.00 0.00 O ATOM 127 CG2 THR A 9 7.191 -2.905 5.067 1.00 0.00 C ATOM 0 H THR A 9 8.783 -0.912 3.943 1.00 0.00 H new ATOM 0 HA THR A 9 10.096 -3.520 3.311 1.00 0.00 H new ATOM 0 HB THR A 9 9.269 -2.889 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.181 -5.107 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.891 -3.211 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.116 -1.821 4.981 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.535 -3.373 4.333 1.00 0.00 H new ATOM 135 N TYR A 10 7.760 -4.483 2.121 1.00 0.00 N ATOM 136 CA TYR A 10 6.756 -4.748 1.035 1.00 0.00 C ATOM 137 C TYR A 10 5.599 -5.701 1.353 1.00 0.00 C ATOM 138 O TYR A 10 5.558 -6.827 0.886 1.00 0.00 O ATOM 139 CB TYR A 10 7.618 -5.220 -0.186 1.00 0.00 C ATOM 140 CG TYR A 10 8.303 -6.531 0.190 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.361 -6.509 1.067 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.860 -7.736 -0.312 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.969 -7.672 1.447 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.468 -8.903 0.066 1.00 0.00 C ATOM 145 CZ TYR A 10 9.521 -8.859 0.950 1.00 0.00 C ATOM 146 OH TYR A 10 10.165 -9.985 1.369 1.00 0.00 O ATOM 0 H TYR A 10 8.096 -5.301 2.629 1.00 0.00 H new ATOM 0 HA TYR A 10 6.190 -3.835 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.988 -5.359 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.360 -4.464 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.714 -5.566 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.032 -7.760 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.800 -7.651 2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.124 -9.849 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 10 11.000 -10.091 0.866 1.00 0.00 H new ATOM 156 N HIS A 11 4.665 -5.226 2.141 1.00 0.00 N ATOM 157 CA HIS A 11 3.537 -6.164 2.437 1.00 0.00 C ATOM 158 C HIS A 11 2.387 -5.549 1.648 1.00 0.00 C ATOM 159 O HIS A 11 2.243 -4.345 1.427 1.00 0.00 O ATOM 160 CB HIS A 11 3.150 -6.260 3.969 1.00 0.00 C ATOM 161 CG HIS A 11 2.193 -7.464 4.034 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.553 -8.699 3.897 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.822 -7.533 4.219 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.517 -9.476 3.988 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.421 -8.790 4.188 1.00 0.00 N ATOM 0 H HIS A 11 4.629 -4.299 2.566 1.00 0.00 H new ATOM 0 HA HIS A 11 3.796 -7.189 2.170 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.029 -6.414 4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.667 -5.347 4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.175 -6.681 4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.555 -10.552 3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.529 -9.146 4.296 1.00 0.00 H new ATOM 173 N TYR A 12 1.586 -6.465 1.210 1.00 0.00 N ATOM 174 CA TYR A 12 0.431 -6.031 0.418 1.00 0.00 C ATOM 175 C TYR A 12 -0.699 -7.032 0.333 1.00 0.00 C ATOM 176 O TYR A 12 -0.523 -8.219 0.545 1.00 0.00 O ATOM 177 CB TYR A 12 0.991 -5.690 -0.969 1.00 0.00 C ATOM 178 CG TYR A 12 1.836 -6.850 -1.507 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.247 -7.998 -1.994 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.208 -6.749 -1.523 1.00 0.00 C ATOM 181 CE1 TYR A 12 2.022 -9.026 -2.489 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.986 -7.778 -2.019 1.00 0.00 C ATOM 183 CZ TYR A 12 3.392 -8.921 -2.505 1.00 0.00 C ATOM 184 OH TYR A 12 4.161 -9.954 -3.001 1.00 0.00 O ATOM 0 H TYR A 12 1.680 -7.469 1.363 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.039 -5.177 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.172 -5.480 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.598 -4.787 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.171 -8.093 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.682 -5.856 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.549 -9.920 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.062 -7.685 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 12 5.109 -9.715 -2.939 1.00 0.00 H new ATOM 194 N TYR A 13 -1.835 -6.503 0.005 1.00 0.00 N ATOM 195 CA TYR A 13 -3.008 -7.410 -0.126 1.00 0.00 C ATOM 196 C TYR A 13 -2.619 -8.224 -1.390 1.00 0.00 C ATOM 197 O TYR A 13 -2.130 -7.628 -2.355 1.00 0.00 O ATOM 198 CB TYR A 13 -4.297 -6.565 -0.338 1.00 0.00 C ATOM 199 CG TYR A 13 -4.912 -6.116 1.007 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.123 -5.915 2.125 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.277 -5.885 1.118 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.680 -5.496 3.318 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.831 -5.462 2.319 1.00 0.00 C ATOM 204 CZ TYR A 13 -6.029 -5.266 3.421 1.00 0.00 C ATOM 205 OH TYR A 13 -6.561 -4.831 4.618 1.00 0.00 O ATOM 0 H TYR A 13 -2.006 -5.514 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.219 -8.040 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.063 -5.688 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.028 -7.150 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.059 -6.088 2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.915 -6.036 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.046 -5.348 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.894 -5.286 2.389 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.529 -4.715 4.523 1.00 0.00 H new ATOM 215 N ARG A 14 -2.883 -9.517 -1.215 1.00 0.00 N ATOM 216 CA ARG A 14 -2.637 -10.626 -2.214 1.00 0.00 C ATOM 217 C ARG A 14 -2.379 -10.191 -3.689 1.00 0.00 C ATOM 218 O ARG A 14 -1.358 -10.572 -4.216 1.00 0.00 O ATOM 219 CB ARG A 14 -3.877 -11.677 -2.120 1.00 0.00 C ATOM 220 CG ARG A 14 -3.426 -13.151 -1.666 1.00 0.00 C ATOM 221 CD ARG A 14 -3.170 -13.287 -0.138 1.00 0.00 C ATOM 222 NE ARG A 14 -4.232 -14.234 0.386 1.00 0.00 N ATOM 223 CZ ARG A 14 -3.995 -15.154 1.258 1.00 0.00 C ATOM 224 NH1 ARG A 14 -3.518 -14.823 2.387 1.00 0.00 N ATOM 225 NH2 ARG A 14 -4.254 -16.362 0.954 1.00 0.00 N ATOM 0 H ARG A 14 -3.291 -9.865 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.690 -11.084 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.615 -11.296 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.368 -11.737 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.197 -13.863 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.518 -13.424 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.171 -13.677 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.235 -12.317 0.356 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.183 -14.138 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.328 -13.842 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.325 -15.538 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.641 -16.585 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.075 -17.107 1.627 1.00 0.00 H new ATOM 239 N PRO A 15 -3.257 -9.444 -4.321 1.00 0.00 N ATOM 240 CA PRO A 15 -4.751 -9.497 -4.241 1.00 0.00 C ATOM 241 C PRO A 15 -5.443 -10.391 -5.314 1.00 0.00 C ATOM 242 O PRO A 15 -6.244 -11.266 -5.021 1.00 0.00 O ATOM 243 CB PRO A 15 -5.139 -8.009 -4.340 1.00 0.00 C ATOM 244 CG PRO A 15 -3.820 -7.257 -4.780 1.00 0.00 C ATOM 245 CD PRO A 15 -2.830 -8.342 -5.209 1.00 0.00 C ATOM 0 HA PRO A 15 -5.094 -9.982 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.937 -7.859 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.504 -7.634 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.021 -6.568 -5.600 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.417 -6.666 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.923 -8.597 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.793 -8.050 -5.042 1.00 0.00 H new ATOM 253 N ALA A 16 -5.089 -10.121 -6.547 1.00 0.00 N ATOM 254 CA ALA A 16 -5.629 -10.842 -7.740 1.00 0.00 C ATOM 255 C ALA A 16 -6.044 -12.306 -7.563 1.00 0.00 C ATOM 256 O ALA A 16 -7.034 -12.653 -8.166 1.00 0.00 O ATOM 257 CB ALA A 16 -4.589 -10.688 -8.869 1.00 0.00 C ATOM 0 H ALA A 16 -4.414 -9.394 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.587 -10.374 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.944 -11.201 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.446 -9.630 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.641 -11.123 -8.553 1.00 0.00 H new ATOM 263 N GLN A 17 -5.326 -13.098 -6.797 1.00 0.00 N ATOM 264 CA GLN A 17 -5.682 -14.556 -6.573 1.00 0.00 C ATOM 265 C GLN A 17 -7.200 -14.812 -6.786 1.00 0.00 C ATOM 266 O GLN A 17 -7.581 -15.705 -7.513 1.00 0.00 O ATOM 267 CB GLN A 17 -5.207 -14.916 -5.126 1.00 0.00 C ATOM 268 CG GLN A 17 -5.065 -16.481 -4.963 1.00 0.00 C ATOM 269 CD GLN A 17 -6.395 -17.240 -4.874 1.00 0.00 C ATOM 270 OE1 GLN A 17 -6.553 -18.329 -5.379 1.00 0.00 O ATOM 271 NE2 GLN A 17 -7.384 -16.718 -4.227 1.00 0.00 N ATOM 0 H GLN A 17 -4.487 -12.795 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.184 -15.198 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.251 -14.435 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.920 -14.532 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.496 -16.870 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.484 -16.688 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.281 -15.802 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.268 -17.222 -4.153 1.00 0.00 H new ATOM 280 N ASN A 18 -8.034 -14.012 -6.156 1.00 0.00 N ATOM 281 CA ASN A 18 -9.528 -14.201 -6.329 1.00 0.00 C ATOM 282 C ASN A 18 -9.988 -12.968 -7.172 1.00 0.00 C ATOM 283 O ASN A 18 -10.755 -12.152 -6.702 1.00 0.00 O ATOM 284 CB ASN A 18 -10.188 -14.204 -4.925 1.00 0.00 C ATOM 285 CG ASN A 18 -11.570 -14.879 -4.967 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.438 -14.567 -5.746 1.00 0.00 O ATOM 287 ND2 ASN A 18 -11.847 -15.835 -4.137 1.00 0.00 N ATOM 0 H ASN A 18 -7.758 -13.248 -5.539 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.800 -15.135 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.545 -14.728 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.290 -13.180 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.762 -16.284 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.150 -16.138 -3.457 1.00 0.00 H new ATOM 294 N ASN A 19 -9.471 -12.880 -8.390 1.00 0.00 N ATOM 295 CA ASN A 19 -9.724 -11.785 -9.419 1.00 0.00 C ATOM 296 C ASN A 19 -9.944 -10.479 -8.640 1.00 0.00 C ATOM 297 O ASN A 19 -10.766 -9.646 -8.974 1.00 0.00 O ATOM 298 CB ASN A 19 -10.985 -12.185 -10.252 1.00 0.00 C ATOM 299 CG ASN A 19 -11.264 -11.265 -11.452 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.219 -11.420 -12.176 1.00 0.00 O ATOM 301 ND2 ASN A 19 -10.487 -10.272 -11.753 1.00 0.00 N ATOM 0 H ASN A 19 -8.826 -13.588 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.891 -11.653 -10.109 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.860 -13.206 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.856 -12.183 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.702 -9.682 -12.557 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.661 -10.081 -11.186 1.00 0.00 H new ATOM 308 N TRP A 20 -9.136 -10.435 -7.615 1.00 0.00 N ATOM 309 CA TRP A 20 -9.061 -9.355 -6.612 1.00 0.00 C ATOM 310 C TRP A 20 -10.402 -8.632 -6.383 1.00 0.00 C ATOM 311 O TRP A 20 -10.539 -7.426 -6.338 1.00 0.00 O ATOM 312 CB TRP A 20 -7.891 -8.360 -6.973 1.00 0.00 C ATOM 313 CG TRP A 20 -7.586 -7.799 -8.381 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.446 -7.652 -9.414 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.379 -7.302 -8.761 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.728 -7.068 -10.364 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.474 -6.828 -10.041 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.157 -7.194 -8.123 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.412 -6.261 -10.673 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.079 -6.621 -8.778 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.206 -6.155 -10.050 1.00 0.00 C ATOM 0 H TRP A 20 -8.468 -11.183 -7.429 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.834 -9.820 -5.653 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.034 -7.490 -6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.974 -8.850 -6.645 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.485 -7.945 -9.456 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.117 -6.824 -11.275 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.043 -7.557 -7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.526 -5.890 -11.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.127 -6.543 -8.273 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.364 -5.708 -10.557 1.00 0.00 H new ATOM 332 N ASP A 21 -11.406 -9.445 -6.230 1.00 0.00 N ATOM 333 CA ASP A 21 -12.766 -8.902 -5.990 1.00 0.00 C ATOM 334 C ASP A 21 -12.713 -8.048 -4.681 1.00 0.00 C ATOM 335 O ASP A 21 -12.857 -8.540 -3.578 1.00 0.00 O ATOM 336 CB ASP A 21 -13.730 -10.143 -5.901 1.00 0.00 C ATOM 337 CG ASP A 21 -15.185 -9.724 -5.679 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.365 -8.757 -4.967 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.044 -10.388 -6.228 1.00 0.00 O ATOM 0 H ASP A 21 -11.343 -10.463 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.131 -8.245 -6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.657 -10.726 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.411 -10.792 -5.085 1.00 0.00 H new ATOM 344 N LEU A 22 -12.470 -6.765 -4.802 1.00 0.00 N ATOM 345 CA LEU A 22 -12.416 -5.881 -3.601 1.00 0.00 C ATOM 346 C LEU A 22 -13.682 -5.964 -2.704 1.00 0.00 C ATOM 347 O LEU A 22 -13.722 -5.356 -1.649 1.00 0.00 O ATOM 348 CB LEU A 22 -12.198 -4.432 -4.091 1.00 0.00 C ATOM 349 CG LEU A 22 -10.869 -4.247 -4.842 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.716 -2.782 -5.194 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.662 -4.649 -3.992 1.00 0.00 C ATOM 0 H LEU A 22 -12.306 -6.291 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.594 -6.219 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.022 -4.148 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.223 -3.757 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.897 -4.884 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.778 -2.632 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.547 -2.471 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.713 -2.187 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.747 -4.501 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.630 -4.035 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.748 -5.699 -3.712 1.00 0.00 H new ATOM 363 N GLY A 23 -14.663 -6.722 -3.147 1.00 0.00 N ATOM 364 CA GLY A 23 -15.949 -6.908 -2.399 1.00 0.00 C ATOM 365 C GLY A 23 -15.977 -8.307 -1.778 1.00 0.00 C ATOM 366 O GLY A 23 -16.997 -8.783 -1.330 1.00 0.00 O ATOM 0 H GLY A 23 -14.620 -7.236 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.043 -6.151 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.796 -6.780 -3.073 1.00 0.00 H new ATOM 370 N ALA A 24 -14.829 -8.931 -1.759 1.00 0.00 N ATOM 371 CA ALA A 24 -14.666 -10.298 -1.187 1.00 0.00 C ATOM 372 C ALA A 24 -14.564 -10.189 0.363 1.00 0.00 C ATOM 373 O ALA A 24 -13.934 -9.292 0.893 1.00 0.00 O ATOM 374 CB ALA A 24 -13.385 -10.884 -1.824 1.00 0.00 C ATOM 0 H ALA A 24 -13.967 -8.533 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.511 -10.952 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.215 -11.890 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.503 -10.924 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.533 -10.252 -1.575 1.00 0.00 H new ATOM 380 N PRO A 25 -15.193 -11.112 1.056 1.00 0.00 N ATOM 381 CA PRO A 25 -15.538 -10.970 2.506 1.00 0.00 C ATOM 382 C PRO A 25 -14.634 -10.080 3.414 1.00 0.00 C ATOM 383 O PRO A 25 -15.096 -9.138 4.024 1.00 0.00 O ATOM 384 CB PRO A 25 -15.627 -12.442 3.008 1.00 0.00 C ATOM 385 CG PRO A 25 -15.313 -13.330 1.754 1.00 0.00 C ATOM 386 CD PRO A 25 -15.635 -12.442 0.541 1.00 0.00 C ATOM 0 HA PRO A 25 -16.461 -10.395 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.912 -12.628 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.617 -12.662 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.269 -13.645 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.919 -14.236 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.087 -12.744 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.694 -12.457 0.285 1.00 0.00 H new ATOM 394 N ALA A 26 -13.371 -10.413 3.486 1.00 0.00 N ATOM 395 CA ALA A 26 -12.390 -9.651 4.336 1.00 0.00 C ATOM 396 C ALA A 26 -11.642 -8.456 3.672 1.00 0.00 C ATOM 397 O ALA A 26 -10.636 -8.015 4.198 1.00 0.00 O ATOM 398 CB ALA A 26 -11.393 -10.729 4.871 1.00 0.00 C ATOM 0 H ALA A 26 -12.963 -11.200 2.981 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.950 -9.135 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.644 -10.251 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.938 -11.471 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.901 -11.218 4.031 1.00 0.00 H new ATOM 404 N VAL A 27 -12.141 -7.968 2.555 1.00 0.00 N ATOM 405 CA VAL A 27 -11.464 -6.805 1.869 1.00 0.00 C ATOM 406 C VAL A 27 -12.167 -5.454 2.102 1.00 0.00 C ATOM 407 O VAL A 27 -11.659 -4.592 2.793 1.00 0.00 O ATOM 408 CB VAL A 27 -11.417 -7.051 0.330 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.465 -6.025 -0.301 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.896 -8.469 -0.010 1.00 0.00 C ATOM 0 H VAL A 27 -12.979 -8.318 2.090 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.466 -6.747 2.304 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.430 -6.953 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.421 -6.184 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.829 -5.018 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.468 -6.144 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.879 -8.600 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.888 -8.591 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.554 -9.215 0.436 1.00 0.00 H new ATOM 420 N SER A 28 -13.311 -5.339 1.481 1.00 0.00 N ATOM 421 CA SER A 28 -14.189 -4.129 1.540 1.00 0.00 C ATOM 422 C SER A 28 -13.507 -2.716 1.744 1.00 0.00 C ATOM 423 O SER A 28 -13.893 -1.962 2.614 1.00 0.00 O ATOM 424 CB SER A 28 -15.253 -4.370 2.676 1.00 0.00 C ATOM 425 OG SER A 28 -14.481 -4.632 3.849 1.00 0.00 O ATOM 0 H SER A 28 -13.695 -6.083 0.899 1.00 0.00 H new ATOM 0 HA SER A 28 -14.612 -4.044 0.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.893 -3.498 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.905 -5.210 2.436 1.00 0.00 H new ATOM 0 HG SER A 28 -15.081 -4.792 4.607 1.00 0.00 H new ATOM 431 N ALA A 29 -12.541 -2.351 0.925 1.00 0.00 N ATOM 432 CA ALA A 29 -11.834 -1.016 1.081 1.00 0.00 C ATOM 433 C ALA A 29 -12.529 0.285 0.544 1.00 0.00 C ATOM 434 O ALA A 29 -13.512 0.243 -0.180 1.00 0.00 O ATOM 435 CB ALA A 29 -10.456 -1.210 0.427 1.00 0.00 C ATOM 0 H ALA A 29 -12.205 -2.920 0.148 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.819 -0.799 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.885 -0.285 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.920 -2.009 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.585 -1.474 -0.623 1.00 0.00 H new ATOM 441 N TYR A 30 -11.948 1.408 0.925 1.00 0.00 N ATOM 442 CA TYR A 30 -12.460 2.766 0.546 1.00 0.00 C ATOM 443 C TYR A 30 -13.340 2.987 -0.668 1.00 0.00 C ATOM 444 O TYR A 30 -14.419 3.524 -0.504 1.00 0.00 O ATOM 445 CB TYR A 30 -11.252 3.755 0.438 1.00 0.00 C ATOM 446 CG TYR A 30 -11.470 4.900 1.451 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.598 5.687 1.285 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.609 5.194 2.492 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.872 6.744 2.126 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.888 6.257 3.337 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.010 7.033 3.159 1.00 0.00 C ATOM 452 OH TYR A 30 -12.230 8.093 4.007 1.00 0.00 O ATOM 0 H TYR A 30 -11.109 1.433 1.505 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.163 2.934 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.317 3.236 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.176 4.153 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.279 5.467 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.722 4.598 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.758 7.342 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.212 6.480 4.150 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.512 8.134 4.673 1.00 0.00 H new ATOM 462 N CYS A 31 -12.872 2.589 -1.814 1.00 0.00 N ATOM 463 CA CYS A 31 -13.702 2.801 -3.024 1.00 0.00 C ATOM 464 C CYS A 31 -14.230 1.462 -3.578 1.00 0.00 C ATOM 465 O CYS A 31 -15.015 1.427 -4.501 1.00 0.00 O ATOM 466 CB CYS A 31 -12.771 3.638 -3.971 1.00 0.00 C ATOM 467 SG CYS A 31 -12.875 5.431 -3.675 1.00 0.00 S ATOM 0 H CYS A 31 -11.971 2.136 -1.964 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.630 3.348 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.739 3.313 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.037 3.431 -5.008 1.00 0.00 H new ATOM 472 N ALA A 32 -13.815 0.369 -2.991 1.00 0.00 N ATOM 473 CA ALA A 32 -14.252 -1.011 -3.419 1.00 0.00 C ATOM 474 C ALA A 32 -15.776 -1.180 -3.708 1.00 0.00 C ATOM 475 O ALA A 32 -16.186 -2.041 -4.464 1.00 0.00 O ATOM 476 CB ALA A 32 -13.811 -1.965 -2.317 1.00 0.00 C ATOM 0 H ALA A 32 -13.167 0.369 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.786 -1.221 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.104 -2.982 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.728 -1.917 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.285 -1.680 -1.378 1.00 0.00 H new ATOM 482 N THR A 33 -16.555 -0.343 -3.071 1.00 0.00 N ATOM 483 CA THR A 33 -18.067 -0.348 -3.213 1.00 0.00 C ATOM 484 C THR A 33 -18.547 0.368 -4.481 1.00 0.00 C ATOM 485 O THR A 33 -19.669 0.201 -4.912 1.00 0.00 O ATOM 486 CB THR A 33 -18.690 0.354 -1.983 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.417 -0.549 -0.924 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.220 0.343 -1.953 1.00 0.00 C ATOM 0 H THR A 33 -16.205 0.372 -2.434 1.00 0.00 H new ATOM 0 HA THR A 33 -18.382 -1.389 -3.282 1.00 0.00 H new ATOM 0 HB THR A 33 -18.313 1.376 -1.956 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.776 -0.189 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.570 0.856 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.605 0.852 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.576 -0.687 -1.944 1.00 0.00 H new ATOM 496 N TRP A 34 -17.661 1.144 -5.029 1.00 0.00 N ATOM 497 CA TRP A 34 -17.920 1.941 -6.266 1.00 0.00 C ATOM 498 C TRP A 34 -17.047 1.523 -7.453 1.00 0.00 C ATOM 499 O TRP A 34 -17.466 1.619 -8.592 1.00 0.00 O ATOM 500 CB TRP A 34 -17.712 3.404 -5.799 1.00 0.00 C ATOM 501 CG TRP A 34 -18.747 3.626 -4.691 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.083 3.382 -4.817 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.487 4.051 -3.441 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.541 3.676 -3.617 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.657 4.086 -2.724 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.296 4.422 -2.851 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.642 4.487 -1.410 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.270 4.829 -1.525 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.452 4.858 -0.808 1.00 0.00 C ATOM 0 H TRP A 34 -16.720 1.267 -4.654 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.920 1.784 -6.670 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.699 3.558 -5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.860 4.104 -6.621 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.628 3.035 -5.682 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.531 3.591 -3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.381 4.395 -3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.562 4.513 -0.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.340 5.119 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.447 5.171 0.226 1.00 0.00 H new ATOM 520 N ASP A 35 -15.863 1.079 -7.143 1.00 0.00 N ATOM 521 CA ASP A 35 -14.886 0.631 -8.174 1.00 0.00 C ATOM 522 C ASP A 35 -14.696 -0.860 -8.411 1.00 0.00 C ATOM 523 O ASP A 35 -14.303 -1.223 -9.502 1.00 0.00 O ATOM 524 CB ASP A 35 -13.592 1.315 -7.776 1.00 0.00 C ATOM 525 CG ASP A 35 -13.690 2.798 -8.084 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.534 3.212 -8.865 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.866 3.464 -7.513 1.00 0.00 O ATOM 0 H ASP A 35 -15.521 1.006 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.280 0.910 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.400 1.165 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.754 0.875 -8.316 1.00 0.00 H new ATOM 532 N ALA A 36 -14.947 -1.712 -7.453 1.00 0.00 N ATOM 533 CA ALA A 36 -14.765 -3.184 -7.695 1.00 0.00 C ATOM 534 C ALA A 36 -15.305 -3.599 -9.084 1.00 0.00 C ATOM 535 O ALA A 36 -14.622 -4.288 -9.822 1.00 0.00 O ATOM 536 CB ALA A 36 -15.500 -3.970 -6.575 1.00 0.00 C ATOM 0 H ALA A 36 -15.268 -1.461 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.700 -3.416 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.375 -5.040 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.080 -3.701 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.561 -3.722 -6.592 1.00 0.00 H new ATOM 542 N SER A 37 -16.503 -3.127 -9.341 1.00 0.00 N ATOM 543 CA SER A 37 -17.298 -3.356 -10.596 1.00 0.00 C ATOM 544 C SER A 37 -16.656 -2.847 -11.880 1.00 0.00 C ATOM 545 O SER A 37 -17.095 -3.178 -12.964 1.00 0.00 O ATOM 546 CB SER A 37 -18.662 -2.692 -10.405 1.00 0.00 C ATOM 547 OG SER A 37 -18.316 -1.354 -10.047 1.00 0.00 O ATOM 0 H SER A 37 -17.001 -2.542 -8.670 1.00 0.00 H new ATOM 0 HA SER A 37 -17.366 -4.435 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.259 -2.725 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.244 -3.182 -9.624 1.00 0.00 H new ATOM 0 HG SER A 37 -19.133 -0.833 -9.901 1.00 0.00 H new ATOM 553 N LYS A 38 -15.637 -2.049 -11.727 1.00 0.00 N ATOM 554 CA LYS A 38 -14.905 -1.479 -12.890 1.00 0.00 C ATOM 555 C LYS A 38 -14.358 -2.672 -13.694 1.00 0.00 C ATOM 556 O LYS A 38 -13.852 -3.611 -13.105 1.00 0.00 O ATOM 557 CB LYS A 38 -13.746 -0.609 -12.365 1.00 0.00 C ATOM 558 CG LYS A 38 -14.232 0.722 -11.755 1.00 0.00 C ATOM 559 CD LYS A 38 -14.727 1.642 -12.902 1.00 0.00 C ATOM 560 CE LYS A 38 -14.381 3.110 -12.631 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.898 3.529 -11.289 1.00 0.00 N ATOM 0 H LYS A 38 -15.272 -1.761 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.547 -0.859 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.190 -1.168 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.055 -0.399 -13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.037 0.540 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.423 1.204 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.275 1.328 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.806 1.536 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.301 3.249 -12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.813 3.741 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.887 4.567 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.872 3.184 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.294 3.127 -10.544 1.00 0.00 H new ATOM 575 N PRO A 39 -14.440 -2.642 -15.001 1.00 0.00 N ATOM 576 CA PRO A 39 -13.929 -3.771 -15.832 1.00 0.00 C ATOM 577 C PRO A 39 -12.491 -4.192 -15.444 1.00 0.00 C ATOM 578 O PRO A 39 -11.685 -3.397 -14.987 1.00 0.00 O ATOM 579 CB PRO A 39 -14.072 -3.237 -17.280 1.00 0.00 C ATOM 580 CG PRO A 39 -14.058 -1.695 -17.069 1.00 0.00 C ATOM 581 CD PRO A 39 -14.987 -1.547 -15.851 1.00 0.00 C ATOM 0 HA PRO A 39 -14.482 -4.699 -15.690 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.252 -3.567 -17.918 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.996 -3.575 -17.748 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.055 -1.317 -16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.434 -1.158 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.907 -0.568 -15.378 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.037 -1.695 -16.103 1.00 0.00 H new ATOM 589 N LEU A 40 -12.199 -5.454 -15.641 1.00 0.00 N ATOM 590 CA LEU A 40 -10.834 -5.986 -15.305 1.00 0.00 C ATOM 591 C LEU A 40 -9.761 -5.086 -15.942 1.00 0.00 C ATOM 592 O LEU A 40 -8.848 -4.633 -15.278 1.00 0.00 O ATOM 593 CB LEU A 40 -10.764 -7.451 -15.823 1.00 0.00 C ATOM 594 CG LEU A 40 -10.533 -8.414 -14.626 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.703 -9.853 -15.131 1.00 0.00 C ATOM 596 CD2 LEU A 40 -9.070 -8.272 -14.145 1.00 0.00 C ATOM 0 H LEU A 40 -12.847 -6.144 -16.021 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.651 -5.983 -14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.689 -7.710 -16.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.956 -7.554 -16.547 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.233 -8.184 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.545 -10.549 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.710 -9.983 -15.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.975 -10.051 -15.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.897 -8.944 -13.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.393 -8.528 -14.960 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.888 -7.244 -13.831 1.00 0.00 H new ATOM 608 N SER A 41 -9.940 -4.874 -17.223 1.00 0.00 N ATOM 609 CA SER A 41 -9.027 -4.025 -18.048 1.00 0.00 C ATOM 610 C SER A 41 -8.330 -2.928 -17.224 1.00 0.00 C ATOM 611 O SER A 41 -7.125 -2.895 -17.138 1.00 0.00 O ATOM 612 CB SER A 41 -9.887 -3.425 -19.178 1.00 0.00 C ATOM 613 OG SER A 41 -10.278 -4.549 -19.969 1.00 0.00 O ATOM 0 H SER A 41 -10.716 -5.273 -17.751 1.00 0.00 H new ATOM 0 HA SER A 41 -8.215 -4.631 -18.450 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.755 -2.900 -18.779 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.321 -2.704 -19.767 1.00 0.00 H new ATOM 0 HG SER A 41 -10.836 -4.246 -20.716 1.00 0.00 H new ATOM 619 N TRP A 42 -9.101 -2.069 -16.607 1.00 0.00 N ATOM 620 CA TRP A 42 -8.476 -0.971 -15.794 1.00 0.00 C ATOM 621 C TRP A 42 -7.857 -1.539 -14.498 1.00 0.00 C ATOM 622 O TRP A 42 -6.687 -1.284 -14.255 1.00 0.00 O ATOM 623 CB TRP A 42 -9.592 0.052 -15.529 1.00 0.00 C ATOM 624 CG TRP A 42 -9.097 1.344 -14.848 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.602 2.434 -15.507 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.100 1.602 -13.517 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.345 3.276 -14.529 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.609 2.873 -13.292 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.498 0.828 -12.442 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.523 3.360 -11.997 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.410 1.310 -11.154 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.925 2.578 -10.925 1.00 0.00 C ATOM 0 H TRP A 42 -10.121 -2.075 -16.627 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.651 -0.489 -16.318 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.069 0.310 -16.475 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.355 -0.410 -14.902 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.457 2.571 -16.569 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.958 4.202 -14.714 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.883 -0.166 -12.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.140 4.355 -11.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.722 0.693 -10.324 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.858 2.961 -9.917 1.00 0.00 H new ATOM 643 N ARG A 43 -8.650 -2.269 -13.745 1.00 0.00 N ATOM 644 CA ARG A 43 -8.205 -2.900 -12.454 1.00 0.00 C ATOM 645 C ARG A 43 -6.749 -3.413 -12.534 1.00 0.00 C ATOM 646 O ARG A 43 -5.954 -3.213 -11.639 1.00 0.00 O ATOM 647 CB ARG A 43 -9.199 -4.040 -12.154 1.00 0.00 C ATOM 648 CG ARG A 43 -10.586 -3.445 -11.766 1.00 0.00 C ATOM 649 CD ARG A 43 -11.678 -4.539 -11.684 1.00 0.00 C ATOM 650 NE ARG A 43 -11.193 -5.637 -10.776 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.852 -6.717 -10.570 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.066 -6.630 -10.206 1.00 0.00 N ATOM 653 NH2 ARG A 43 -11.254 -7.828 -10.738 1.00 0.00 N ATOM 0 H ARG A 43 -9.624 -2.461 -13.981 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.207 -2.166 -11.648 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.301 -4.684 -13.027 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.820 -4.661 -11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.508 -2.937 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.878 -2.694 -12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.608 -4.117 -11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.891 -4.936 -12.677 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.298 -5.516 -10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.497 -5.714 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.609 -7.476 -10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.276 -7.842 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.752 -8.704 -10.582 1.00 0.00 H new ATOM 667 N SER A 44 -6.463 -4.076 -13.625 1.00 0.00 N ATOM 668 CA SER A 44 -5.091 -4.649 -13.892 1.00 0.00 C ATOM 669 C SER A 44 -4.224 -3.715 -14.774 1.00 0.00 C ATOM 670 O SER A 44 -3.064 -3.546 -14.487 1.00 0.00 O ATOM 671 CB SER A 44 -5.277 -6.004 -14.579 1.00 0.00 C ATOM 672 OG SER A 44 -6.102 -5.703 -15.707 1.00 0.00 O ATOM 0 H SER A 44 -7.138 -4.253 -14.369 1.00 0.00 H new ATOM 0 HA SER A 44 -4.562 -4.758 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.322 -6.432 -14.884 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.753 -6.727 -13.916 1.00 0.00 H new ATOM 0 HG SER A 44 -6.275 -6.524 -16.214 1.00 0.00 H new ATOM 678 N LYS A 45 -4.751 -3.142 -15.835 1.00 0.00 N ATOM 679 CA LYS A 45 -3.954 -2.207 -16.734 1.00 0.00 C ATOM 680 C LYS A 45 -3.137 -1.199 -15.892 1.00 0.00 C ATOM 681 O LYS A 45 -2.005 -0.867 -16.194 1.00 0.00 O ATOM 682 CB LYS A 45 -4.944 -1.466 -17.633 1.00 0.00 C ATOM 683 CG LYS A 45 -4.248 -0.469 -18.582 1.00 0.00 C ATOM 684 CD LYS A 45 -5.327 0.581 -19.019 1.00 0.00 C ATOM 685 CE LYS A 45 -5.632 1.596 -17.903 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.666 2.722 -18.006 1.00 0.00 N ATOM 0 H LYS A 45 -5.718 -3.279 -16.130 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.248 -2.780 -17.335 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.508 -2.190 -18.222 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.663 -0.931 -17.013 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.414 0.022 -18.081 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.839 -0.985 -19.450 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.978 1.111 -19.905 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.244 0.063 -19.298 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.654 1.965 -17.996 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.553 1.119 -16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.214 2.878 -17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.939 2.492 -18.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.169 3.585 -18.295 1.00 0.00 H new ATOM 700 N TYR A 46 -3.780 -0.742 -14.855 1.00 0.00 N ATOM 701 CA TYR A 46 -3.136 0.236 -13.929 1.00 0.00 C ATOM 702 C TYR A 46 -2.776 -0.485 -12.625 1.00 0.00 C ATOM 703 O TYR A 46 -2.709 -1.692 -12.565 1.00 0.00 O ATOM 704 CB TYR A 46 -4.148 1.397 -13.717 1.00 0.00 C ATOM 705 CG TYR A 46 -3.573 2.762 -14.200 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.259 3.177 -13.981 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.406 3.619 -14.895 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.808 4.409 -14.447 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.945 4.846 -15.355 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.649 5.254 -15.137 1.00 0.00 C ATOM 711 OH TYR A 46 -2.173 6.469 -15.599 1.00 0.00 O ATOM 0 H TYR A 46 -4.733 -1.005 -14.605 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.210 0.650 -14.330 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.069 1.179 -14.257 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.407 1.465 -12.660 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.581 2.532 -13.441 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.430 3.330 -15.083 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.786 4.706 -14.265 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.619 5.494 -15.896 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.883 7.142 -15.539 1.00 0.00 H new ATOM 721 N GLY A 47 -2.544 0.283 -11.601 1.00 0.00 N ATOM 722 CA GLY A 47 -2.200 -0.373 -10.310 1.00 0.00 C ATOM 723 C GLY A 47 -3.507 -0.755 -9.635 1.00 0.00 C ATOM 724 O GLY A 47 -3.934 -1.872 -9.824 1.00 0.00 O ATOM 0 H GLY A 47 -2.575 1.303 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.583 -1.255 -10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.624 0.302 -9.677 1.00 0.00 H new ATOM 728 N TRP A 48 -4.039 0.203 -8.896 1.00 0.00 N ATOM 729 CA TRP A 48 -5.341 0.179 -8.071 1.00 0.00 C ATOM 730 C TRP A 48 -4.765 -0.228 -6.742 1.00 0.00 C ATOM 731 O TRP A 48 -5.193 -1.062 -5.977 1.00 0.00 O ATOM 732 CB TRP A 48 -6.307 -0.855 -8.689 1.00 0.00 C ATOM 733 CG TRP A 48 -6.133 -2.231 -8.131 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.979 -2.802 -7.692 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.177 -3.031 -7.977 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.429 -3.964 -7.277 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.723 -4.171 -7.411 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.528 -2.865 -8.275 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.598 -5.146 -7.132 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.413 -3.868 -7.988 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.935 -5.008 -7.415 1.00 0.00 C ATOM 0 H TRP A 48 -3.575 1.108 -8.818 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.935 1.092 -8.020 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.334 -0.529 -8.521 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.155 -0.886 -9.768 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.973 -2.409 -7.686 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.811 -4.667 -6.873 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.875 -1.949 -8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.245 -6.059 -6.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.464 -3.759 -8.210 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.616 -5.813 -7.180 1.00 0.00 H new ATOM 752 N THR A 49 -3.771 0.509 -6.439 1.00 0.00 N ATOM 753 CA THR A 49 -3.073 0.207 -5.224 1.00 0.00 C ATOM 754 C THR A 49 -3.766 0.724 -4.029 1.00 0.00 C ATOM 755 O THR A 49 -4.326 1.810 -3.932 1.00 0.00 O ATOM 756 CB THR A 49 -1.644 0.801 -5.396 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.851 2.029 -6.099 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.864 0.003 -6.428 1.00 0.00 C ATOM 0 H THR A 49 -3.420 1.299 -6.980 1.00 0.00 H new ATOM 0 HA THR A 49 -3.028 -0.869 -5.055 1.00 0.00 H new ATOM 0 HB THR A 49 -1.143 0.845 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.714 2.414 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.133 0.428 -6.539 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.782 -1.033 -6.101 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.383 0.041 -7.386 1.00 0.00 H new ATOM 766 N ALA A 50 -3.696 -0.250 -3.160 1.00 0.00 N ATOM 767 CA ALA A 50 -4.315 0.045 -1.834 1.00 0.00 C ATOM 768 C ALA A 50 -3.175 0.771 -1.159 1.00 0.00 C ATOM 769 O ALA A 50 -2.081 0.654 -1.671 1.00 0.00 O ATOM 770 CB ALA A 50 -4.624 -1.225 -1.060 1.00 0.00 C ATOM 0 H ALA A 50 -3.272 -1.169 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.259 0.586 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.073 -0.966 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.319 -1.840 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.702 -1.781 -0.891 1.00 0.00 H new ATOM 776 N PHE A 51 -3.391 1.486 -0.092 1.00 0.00 N ATOM 777 CA PHE A 51 -2.216 2.180 0.540 1.00 0.00 C ATOM 778 C PHE A 51 -2.235 2.192 2.103 1.00 0.00 C ATOM 779 O PHE A 51 -3.285 2.196 2.720 1.00 0.00 O ATOM 780 CB PHE A 51 -2.179 3.658 -0.059 1.00 0.00 C ATOM 781 CG PHE A 51 -3.572 4.307 0.083 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.985 4.852 1.284 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.440 4.352 -0.993 1.00 0.00 C ATOM 784 CE1 PHE A 51 -5.241 5.430 1.409 1.00 0.00 C ATOM 785 CE2 PHE A 51 -5.693 4.931 -0.870 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.092 5.469 0.329 1.00 0.00 C ATOM 0 H PHE A 51 -4.293 1.623 0.363 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.310 1.624 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.433 4.255 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.885 3.629 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.322 4.828 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.138 3.931 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.550 5.849 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.358 4.959 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.069 5.920 0.423 1.00 0.00 H new ATOM 796 N CYS A 52 -1.066 2.165 2.699 1.00 0.00 N ATOM 797 CA CYS A 52 -0.964 2.193 4.208 1.00 0.00 C ATOM 798 C CYS A 52 0.406 2.636 4.809 1.00 0.00 C ATOM 799 O CYS A 52 1.142 1.922 5.465 1.00 0.00 O ATOM 800 CB CYS A 52 -1.391 0.788 4.735 1.00 0.00 C ATOM 801 SG CYS A 52 -1.093 -0.725 3.798 1.00 0.00 S ATOM 0 H CYS A 52 -0.171 2.125 2.210 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.632 2.983 4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.907 0.657 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.464 0.836 4.919 1.00 0.00 H new ATOM 806 N GLY A 53 0.688 3.879 4.525 1.00 0.00 N ATOM 807 CA GLY A 53 1.957 4.538 4.999 1.00 0.00 C ATOM 808 C GLY A 53 1.672 5.931 5.584 1.00 0.00 C ATOM 809 O GLY A 53 0.535 6.355 5.602 1.00 0.00 O ATOM 0 H GLY A 53 0.083 4.486 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.434 3.914 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.657 4.625 4.168 1.00 0.00 H new ATOM 813 N PRO A 54 2.700 6.615 6.051 1.00 0.00 N ATOM 814 CA PRO A 54 2.597 8.071 6.398 1.00 0.00 C ATOM 815 C PRO A 54 2.265 8.935 5.153 1.00 0.00 C ATOM 816 O PRO A 54 1.145 9.378 4.973 1.00 0.00 O ATOM 817 CB PRO A 54 3.971 8.357 7.052 1.00 0.00 C ATOM 818 CG PRO A 54 4.918 7.365 6.308 1.00 0.00 C ATOM 819 CD PRO A 54 4.074 6.074 6.294 1.00 0.00 C ATOM 0 HA PRO A 54 1.779 8.323 7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.279 9.393 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.954 8.173 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.159 7.707 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.863 7.230 6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.389 5.387 5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.140 5.531 7.237 1.00 0.00 H new ATOM 827 N ALA A 55 3.224 9.163 4.294 1.00 0.00 N ATOM 828 CA ALA A 55 2.935 9.988 3.089 1.00 0.00 C ATOM 829 C ALA A 55 2.256 9.058 2.061 1.00 0.00 C ATOM 830 O ALA A 55 2.899 8.542 1.177 1.00 0.00 O ATOM 831 CB ALA A 55 4.289 10.559 2.580 1.00 0.00 C ATOM 0 H ALA A 55 4.181 8.818 4.374 1.00 0.00 H new ATOM 0 HA ALA A 55 2.270 10.829 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.116 11.171 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.743 11.170 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.959 9.737 2.328 1.00 0.00 H new ATOM 837 N GLY A 56 0.979 8.847 2.242 1.00 0.00 N ATOM 838 CA GLY A 56 0.194 7.960 1.300 1.00 0.00 C ATOM 839 C GLY A 56 -1.327 8.154 1.361 1.00 0.00 C ATOM 840 O GLY A 56 -1.931 8.537 0.378 1.00 0.00 O ATOM 0 H GLY A 56 0.433 9.249 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.531 8.147 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.424 6.919 1.526 1.00 0.00 H new ATOM 844 N PRO A 57 -1.917 7.895 2.506 1.00 0.00 N ATOM 845 CA PRO A 57 -3.384 8.056 2.661 1.00 0.00 C ATOM 846 C PRO A 57 -3.822 9.526 2.819 1.00 0.00 C ATOM 847 O PRO A 57 -3.751 10.093 3.892 1.00 0.00 O ATOM 848 CB PRO A 57 -3.713 7.165 3.889 1.00 0.00 C ATOM 849 CG PRO A 57 -2.381 7.051 4.698 1.00 0.00 C ATOM 850 CD PRO A 57 -1.228 7.411 3.734 1.00 0.00 C ATOM 0 HA PRO A 57 -3.938 7.751 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.502 7.610 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.066 6.182 3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.392 7.726 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.254 6.042 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.581 8.179 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.600 6.545 3.523 1.00 0.00 H new ATOM 858 N ARG A 58 -4.294 10.074 1.726 1.00 0.00 N ATOM 859 CA ARG A 58 -4.767 11.495 1.710 1.00 0.00 C ATOM 860 C ARG A 58 -6.309 11.601 1.662 1.00 0.00 C ATOM 861 O ARG A 58 -6.910 12.189 0.787 1.00 0.00 O ATOM 862 CB ARG A 58 -4.043 12.195 0.487 1.00 0.00 C ATOM 863 CG ARG A 58 -4.257 13.752 0.520 1.00 0.00 C ATOM 864 CD ARG A 58 -3.347 14.462 -0.519 1.00 0.00 C ATOM 865 NE ARG A 58 -3.718 15.926 -0.487 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.902 16.650 -1.522 1.00 0.00 C ATOM 867 NH1 ARG A 58 -5.006 16.546 -2.130 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.971 17.437 -1.876 1.00 0.00 N ATOM 0 H ARG A 58 -4.373 9.590 0.831 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.505 12.007 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.977 11.970 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.430 11.791 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.302 13.983 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.039 14.131 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.295 14.323 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.498 14.046 -1.515 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.829 16.367 0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.717 15.898 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.186 17.110 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.106 17.478 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.088 18.028 -2.699 1.00 0.00 H new ATOM 882 N GLY A 59 -6.874 11.013 2.690 1.00 0.00 N ATOM 883 CA GLY A 59 -8.371 10.943 2.921 1.00 0.00 C ATOM 884 C GLY A 59 -9.201 10.832 1.639 1.00 0.00 C ATOM 885 O GLY A 59 -8.735 10.332 0.635 1.00 0.00 O ATOM 0 H GLY A 59 -6.334 10.551 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.589 10.085 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.685 11.832 3.467 1.00 0.00 H new ATOM 889 N GLN A 60 -10.423 11.297 1.677 1.00 0.00 N ATOM 890 CA GLN A 60 -11.263 11.209 0.432 1.00 0.00 C ATOM 891 C GLN A 60 -10.556 11.886 -0.776 1.00 0.00 C ATOM 892 O GLN A 60 -10.951 11.713 -1.909 1.00 0.00 O ATOM 893 CB GLN A 60 -12.652 11.873 0.720 1.00 0.00 C ATOM 894 CG GLN A 60 -13.429 11.011 1.777 1.00 0.00 C ATOM 895 CD GLN A 60 -14.885 11.457 1.984 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.622 10.872 2.746 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.377 12.473 1.351 1.00 0.00 N ATOM 0 H GLN A 60 -10.871 11.723 2.488 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.407 10.162 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.513 12.888 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.230 11.948 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.419 9.968 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.904 11.060 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.795 12.998 0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.347 12.749 1.505 1.00 0.00 H new ATOM 906 N ALA A 61 -9.519 12.634 -0.490 1.00 0.00 N ATOM 907 CA ALA A 61 -8.749 13.337 -1.560 1.00 0.00 C ATOM 908 C ALA A 61 -7.577 12.469 -2.130 1.00 0.00 C ATOM 909 O ALA A 61 -6.754 12.978 -2.877 1.00 0.00 O ATOM 910 CB ALA A 61 -8.261 14.650 -0.913 1.00 0.00 C ATOM 0 H ALA A 61 -9.169 12.789 0.455 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.371 13.534 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.686 15.222 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.120 15.237 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.632 14.420 -0.053 1.00 0.00 H new ATOM 916 N ALA A 62 -7.545 11.203 -1.759 1.00 0.00 N ATOM 917 CA ALA A 62 -6.497 10.236 -2.232 1.00 0.00 C ATOM 918 C ALA A 62 -7.191 9.326 -3.304 1.00 0.00 C ATOM 919 O ALA A 62 -6.798 9.435 -4.452 1.00 0.00 O ATOM 920 CB ALA A 62 -5.986 9.434 -0.983 1.00 0.00 C ATOM 0 H ALA A 62 -8.229 10.789 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.629 10.713 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.222 8.722 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.561 10.126 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.819 8.897 -0.530 1.00 0.00 H new ATOM 926 N CYS A 63 -8.155 8.485 -2.956 1.00 0.00 N ATOM 927 CA CYS A 63 -8.846 7.610 -3.985 1.00 0.00 C ATOM 928 C CYS A 63 -9.128 8.483 -5.235 1.00 0.00 C ATOM 929 O CYS A 63 -9.997 9.332 -5.264 1.00 0.00 O ATOM 930 CB CYS A 63 -10.210 7.022 -3.418 1.00 0.00 C ATOM 931 SG CYS A 63 -11.331 6.298 -4.656 1.00 0.00 S ATOM 0 H CYS A 63 -8.494 8.366 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.205 6.765 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.975 6.258 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.740 7.820 -2.897 1.00 0.00 H new ATOM 936 N GLY A 64 -8.334 8.239 -6.242 1.00 0.00 N ATOM 937 CA GLY A 64 -8.472 9.007 -7.532 1.00 0.00 C ATOM 938 C GLY A 64 -7.105 9.392 -8.073 1.00 0.00 C ATOM 939 O GLY A 64 -6.922 9.519 -9.268 1.00 0.00 O ATOM 0 H GLY A 64 -7.591 7.540 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.003 8.402 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.069 9.904 -7.366 1.00 0.00 H new ATOM 943 N LYS A 65 -6.177 9.568 -7.175 1.00 0.00 N ATOM 944 CA LYS A 65 -4.802 9.944 -7.605 1.00 0.00 C ATOM 945 C LYS A 65 -3.952 8.684 -7.798 1.00 0.00 C ATOM 946 O LYS A 65 -4.318 7.580 -7.434 1.00 0.00 O ATOM 947 CB LYS A 65 -4.204 10.853 -6.512 1.00 0.00 C ATOM 948 CG LYS A 65 -4.832 12.244 -6.614 1.00 0.00 C ATOM 949 CD LYS A 65 -4.443 13.024 -5.321 1.00 0.00 C ATOM 950 CE LYS A 65 -4.753 14.519 -5.437 1.00 0.00 C ATOM 951 NZ LYS A 65 -6.161 14.677 -5.902 1.00 0.00 N ATOM 0 H LYS A 65 -6.309 9.469 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.823 10.474 -8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.392 10.428 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.122 10.920 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.470 12.765 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.916 12.171 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.982 12.607 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.380 12.889 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.615 15.010 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.067 14.995 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.487 15.644 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.210 14.503 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.769 13.995 -5.405 1.00 0.00 H new ATOM 965 N CYS A 66 -2.815 8.907 -8.387 1.00 0.00 N ATOM 966 CA CYS A 66 -1.835 7.827 -8.666 1.00 0.00 C ATOM 967 C CYS A 66 -0.537 8.074 -7.878 1.00 0.00 C ATOM 968 O CYS A 66 -0.179 9.186 -7.543 1.00 0.00 O ATOM 969 CB CYS A 66 -1.609 7.828 -10.185 1.00 0.00 C ATOM 970 SG CYS A 66 -2.822 6.839 -11.089 1.00 0.00 S ATOM 0 H CYS A 66 -2.514 9.831 -8.698 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.199 6.850 -8.348 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.643 8.855 -10.550 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.610 7.448 -10.397 1.00 0.00 H new ATOM 975 N LEU A 67 0.163 7.023 -7.575 1.00 0.00 N ATOM 976 CA LEU A 67 1.444 7.230 -6.810 1.00 0.00 C ATOM 977 C LEU A 67 2.532 6.951 -7.865 1.00 0.00 C ATOM 978 O LEU A 67 2.466 5.921 -8.515 1.00 0.00 O ATOM 979 CB LEU A 67 1.518 6.207 -5.620 1.00 0.00 C ATOM 980 CG LEU A 67 2.502 6.738 -4.524 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.855 7.611 -3.448 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.218 5.571 -3.831 1.00 0.00 C ATOM 0 H LEU A 67 -0.073 6.058 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 67 1.543 8.220 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.526 6.061 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.854 5.236 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 67 3.202 7.371 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.614 7.931 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.402 8.487 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.087 7.038 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.898 5.960 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.481 4.921 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.784 5.002 -4.568 1.00 0.00 H new ATOM 994 N ARG A 68 3.495 7.819 -8.068 1.00 0.00 N ATOM 995 CA ARG A 68 4.524 7.474 -9.108 1.00 0.00 C ATOM 996 C ARG A 68 5.597 6.824 -8.243 1.00 0.00 C ATOM 997 O ARG A 68 6.028 7.421 -7.269 1.00 0.00 O ATOM 998 CB ARG A 68 5.054 8.759 -9.800 1.00 0.00 C ATOM 999 CG ARG A 68 6.106 8.411 -10.910 1.00 0.00 C ATOM 1000 CD ARG A 68 5.467 7.683 -12.134 1.00 0.00 C ATOM 1001 NE ARG A 68 4.726 8.672 -13.003 1.00 0.00 N ATOM 1002 CZ ARG A 68 5.316 9.640 -13.629 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.560 9.609 -13.926 1.00 0.00 N ATOM 1004 NH2 ARG A 68 4.590 10.634 -13.946 1.00 0.00 N ATOM 0 H ARG A 68 3.615 8.710 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 68 4.163 6.844 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.222 9.307 -10.242 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.508 9.415 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.589 9.328 -11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.885 7.780 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.243 7.187 -12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.783 6.908 -11.788 1.00 0.00 H new ATOM 0 HE ARG A 68 3.716 8.573 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.126 8.800 -13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.986 10.393 -14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.599 10.639 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.999 11.427 -14.441 1.00 0.00 H new ATOM 1018 N VAL A 69 5.970 5.633 -8.638 1.00 0.00 N ATOM 1019 CA VAL A 69 7.004 4.856 -7.892 1.00 0.00 C ATOM 1020 C VAL A 69 8.236 4.593 -8.749 1.00 0.00 C ATOM 1021 O VAL A 69 8.128 3.959 -9.783 1.00 0.00 O ATOM 1022 CB VAL A 69 6.461 3.474 -7.457 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.548 2.739 -6.626 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.182 3.593 -6.629 1.00 0.00 C ATOM 0 H VAL A 69 5.595 5.159 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 69 7.265 5.462 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 69 6.219 2.910 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.172 1.764 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.443 2.606 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.793 3.330 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.838 2.598 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.383 4.176 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.412 4.090 -7.219 1.00 0.00 H new ATOM 1034 N THR A 70 9.346 5.083 -8.269 1.00 0.00 N ATOM 1035 CA THR A 70 10.668 4.912 -8.969 1.00 0.00 C ATOM 1036 C THR A 70 11.608 4.088 -8.066 1.00 0.00 C ATOM 1037 O THR A 70 11.554 4.195 -6.851 1.00 0.00 O ATOM 1038 CB THR A 70 11.335 6.263 -9.214 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.495 6.932 -10.137 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.673 6.064 -9.975 1.00 0.00 C ATOM 0 H THR A 70 9.401 5.610 -7.398 1.00 0.00 H new ATOM 0 HA THR A 70 10.488 4.415 -9.922 1.00 0.00 H new ATOM 0 HB THR A 70 11.497 6.783 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.868 7.816 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.142 7.033 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.339 5.438 -9.382 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.479 5.581 -10.933 1.00 0.00 H new ATOM 1048 N ASN A 71 12.442 3.298 -8.699 1.00 0.00 N ATOM 1049 CA ASN A 71 13.446 2.413 -8.007 1.00 0.00 C ATOM 1050 C ASN A 71 14.932 2.838 -8.267 1.00 0.00 C ATOM 1051 O ASN A 71 15.555 2.320 -9.185 1.00 0.00 O ATOM 1052 CB ASN A 71 13.198 0.967 -8.504 1.00 0.00 C ATOM 1053 CG ASN A 71 14.271 0.009 -7.965 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.301 0.403 -7.457 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.138 -1.270 -8.044 1.00 0.00 N ATOM 0 H ASN A 71 12.471 3.225 -9.716 1.00 0.00 H new ATOM 0 HA ASN A 71 13.307 2.498 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.212 0.632 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.202 0.947 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.874 -1.882 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.297 -1.671 -8.460 1.00 0.00 H new ATOM 1062 N PRO A 72 15.464 3.741 -7.463 1.00 0.00 N ATOM 1063 CA PRO A 72 16.801 4.370 -7.712 1.00 0.00 C ATOM 1064 C PRO A 72 17.983 3.392 -7.880 1.00 0.00 C ATOM 1065 O PRO A 72 19.061 3.806 -8.257 1.00 0.00 O ATOM 1066 CB PRO A 72 17.055 5.317 -6.530 1.00 0.00 C ATOM 1067 CG PRO A 72 15.696 5.469 -5.797 1.00 0.00 C ATOM 1068 CD PRO A 72 14.827 4.251 -6.207 1.00 0.00 C ATOM 0 HA PRO A 72 16.756 4.879 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.814 4.911 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.420 6.284 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.840 5.495 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.209 6.403 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.820 3.489 -5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.791 4.542 -6.378 1.00 0.00 H new ATOM 1076 N ALA A 73 17.768 2.133 -7.597 1.00 0.00 N ATOM 1077 CA ALA A 73 18.858 1.111 -7.725 1.00 0.00 C ATOM 1078 C ALA A 73 18.910 0.498 -9.133 1.00 0.00 C ATOM 1079 O ALA A 73 19.941 0.047 -9.589 1.00 0.00 O ATOM 1080 CB ALA A 73 18.576 0.049 -6.671 1.00 0.00 C ATOM 0 H ALA A 73 16.873 1.762 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 73 19.834 1.572 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.343 -0.724 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.584 0.507 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.599 -0.397 -6.856 1.00 0.00 H new ATOM 1086 N THR A 74 17.772 0.512 -9.768 1.00 0.00 N ATOM 1087 CA THR A 74 17.662 -0.063 -11.165 1.00 0.00 C ATOM 1088 C THR A 74 17.362 1.019 -12.206 1.00 0.00 C ATOM 1089 O THR A 74 17.895 1.027 -13.300 1.00 0.00 O ATOM 1090 CB THR A 74 16.525 -1.089 -11.223 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.404 -0.281 -10.918 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.536 -2.069 -10.055 1.00 0.00 C ATOM 0 H THR A 74 16.905 0.894 -9.391 1.00 0.00 H new ATOM 0 HA THR A 74 18.622 -0.526 -11.392 1.00 0.00 H new ATOM 0 HB THR A 74 16.565 -1.640 -12.163 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.621 -0.851 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.705 -2.767 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.476 -2.621 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.435 -1.520 -9.119 1.00 0.00 H new ATOM 1100 N GLY A 75 16.497 1.914 -11.811 1.00 0.00 N ATOM 1101 CA GLY A 75 16.069 3.046 -12.694 1.00 0.00 C ATOM 1102 C GLY A 75 14.633 2.795 -13.141 1.00 0.00 C ATOM 1103 O GLY A 75 14.023 3.636 -13.769 1.00 0.00 O ATOM 0 H GLY A 75 16.057 1.910 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.139 3.992 -12.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.727 3.121 -13.559 1.00 0.00 H new ATOM 1107 N ALA A 76 14.131 1.634 -12.797 1.00 0.00 N ATOM 1108 CA ALA A 76 12.739 1.261 -13.177 1.00 0.00 C ATOM 1109 C ALA A 76 11.726 2.172 -12.453 1.00 0.00 C ATOM 1110 O ALA A 76 11.935 2.598 -11.328 1.00 0.00 O ATOM 1111 CB ALA A 76 12.551 -0.233 -12.798 1.00 0.00 C ATOM 0 H ALA A 76 14.634 0.924 -12.264 1.00 0.00 H new ATOM 0 HA ALA A 76 12.567 1.395 -14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.542 -0.550 -13.060 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.275 -0.840 -13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.705 -0.359 -11.726 1.00 0.00 H new ATOM 1117 N GLN A 77 10.658 2.451 -13.145 1.00 0.00 N ATOM 1118 CA GLN A 77 9.581 3.314 -12.582 1.00 0.00 C ATOM 1119 C GLN A 77 8.216 2.916 -13.171 1.00 0.00 C ATOM 1120 O GLN A 77 8.127 2.487 -14.309 1.00 0.00 O ATOM 1121 CB GLN A 77 9.927 4.792 -12.906 1.00 0.00 C ATOM 1122 CG GLN A 77 10.102 4.981 -14.444 1.00 0.00 C ATOM 1123 CD GLN A 77 10.446 6.429 -14.779 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.785 7.362 -14.375 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.474 6.671 -15.523 1.00 0.00 N ATOM 0 H GLN A 77 10.482 2.113 -14.091 1.00 0.00 H new ATOM 0 HA GLN A 77 9.516 3.186 -11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.136 5.447 -12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.843 5.080 -12.391 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.890 4.322 -14.808 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.184 4.693 -14.957 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.043 5.900 -15.873 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.717 7.633 -15.760 1.00 0.00 H new ATOM 1134 N ILE A 78 7.211 3.056 -12.346 1.00 0.00 N ATOM 1135 CA ILE A 78 5.788 2.740 -12.710 1.00 0.00 C ATOM 1136 C ILE A 78 4.755 3.776 -12.147 1.00 0.00 C ATOM 1137 O ILE A 78 5.095 4.556 -11.269 1.00 0.00 O ATOM 1138 CB ILE A 78 5.544 1.339 -12.166 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.304 0.681 -12.850 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.314 1.367 -10.636 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.670 -0.775 -13.181 1.00 0.00 C ATOM 0 H ILE A 78 7.321 3.392 -11.389 1.00 0.00 H new ATOM 0 HA ILE A 78 5.644 2.795 -13.789 1.00 0.00 H new ATOM 0 HB ILE A 78 6.435 0.751 -12.386 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.439 0.717 -12.188 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.035 1.223 -13.756 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.142 0.353 -10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.193 1.784 -10.144 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.445 1.984 -10.410 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.822 -1.263 -13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.527 -0.791 -13.855 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.921 -1.305 -12.262 1.00 0.00 H new ATOM 1153 N THR A 79 3.541 3.761 -12.656 1.00 0.00 N ATOM 1154 CA THR A 79 2.479 4.720 -12.150 1.00 0.00 C ATOM 1155 C THR A 79 1.394 3.836 -11.512 1.00 0.00 C ATOM 1156 O THR A 79 0.669 3.120 -12.189 1.00 0.00 O ATOM 1157 CB THR A 79 1.803 5.563 -13.294 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.773 6.530 -13.687 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.728 6.525 -12.734 1.00 0.00 C ATOM 0 H THR A 79 3.233 3.132 -13.397 1.00 0.00 H new ATOM 0 HA THR A 79 2.941 5.432 -11.465 1.00 0.00 H new ATOM 0 HB THR A 79 1.423 4.863 -14.038 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.406 7.088 -14.404 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.283 7.090 -13.553 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.047 5.950 -12.227 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.189 7.214 -12.026 1.00 0.00 H new ATOM 1167 N ALA A 80 1.305 3.913 -10.213 1.00 0.00 N ATOM 1168 CA ALA A 80 0.291 3.097 -9.484 1.00 0.00 C ATOM 1169 C ALA A 80 -1.015 3.908 -9.380 1.00 0.00 C ATOM 1170 O ALA A 80 -1.043 5.045 -9.805 1.00 0.00 O ATOM 1171 CB ALA A 80 0.915 2.776 -8.128 1.00 0.00 C ATOM 0 H ALA A 80 1.890 4.505 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 80 0.031 2.166 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.220 2.176 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.840 2.218 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.132 3.704 -7.598 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.033 3.317 -8.810 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.334 3.995 -8.676 1.00 0.00 C ATOM 1179 C ARG A 81 -3.732 4.012 -7.198 1.00 0.00 C ATOM 1180 O ARG A 81 -4.166 3.006 -6.686 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.288 3.186 -9.587 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.537 3.895 -10.978 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.407 5.158 -10.865 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.498 4.762 -9.929 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.795 5.478 -8.902 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.850 5.736 -8.104 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -7.977 5.897 -8.716 1.00 0.00 N ATOM 0 H ARG A 81 -2.005 2.372 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.341 5.041 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.869 2.194 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.241 3.046 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.577 4.161 -11.420 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.017 3.190 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.836 6.002 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.803 5.458 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.021 3.904 -10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.912 5.381 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.025 6.299 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.711 5.668 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.194 6.464 -7.896 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.577 5.132 -6.552 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.936 5.258 -5.101 1.00 0.00 C ATOM 1203 C ILE A 82 -5.458 5.156 -5.099 1.00 0.00 C ATOM 1204 O ILE A 82 -6.174 6.092 -5.439 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.433 6.629 -4.594 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -1.902 6.663 -4.890 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.689 6.749 -3.065 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.260 7.946 -4.425 1.00 0.00 C ATOM 0 H ILE A 82 -3.210 5.986 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.493 4.505 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.949 7.456 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.420 5.818 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.738 6.544 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.333 7.717 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.757 6.661 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.156 5.954 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.194 7.923 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.722 8.790 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.399 8.053 -3.349 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.893 3.979 -4.742 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.364 3.734 -4.703 1.00 0.00 C ATOM 1222 C VAL A 83 -7.927 3.338 -3.342 1.00 0.00 C ATOM 1223 O VAL A 83 -8.708 4.077 -2.792 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.722 2.610 -5.746 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -9.238 2.346 -5.744 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.430 3.074 -7.164 1.00 0.00 C ATOM 0 H VAL A 83 -5.306 3.188 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.825 4.692 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.137 1.733 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.473 1.567 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.550 2.023 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.767 3.261 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.685 2.281 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.024 3.960 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.371 3.314 -7.257 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.491 2.213 -2.838 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.979 1.652 -1.498 1.00 0.00 C ATOM 1238 C ASP A 84 -7.043 1.714 -0.286 1.00 0.00 C ATOM 1239 O ASP A 84 -5.892 2.030 -0.445 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.360 0.205 -1.866 1.00 0.00 C ATOM 1241 CG ASP A 84 -9.418 0.279 -2.947 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -10.400 0.945 -2.643 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -9.179 -0.320 -3.983 1.00 0.00 O ATOM 0 H ASP A 84 -6.795 1.627 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.784 2.281 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.487 -0.344 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.739 -0.326 -0.993 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.506 1.421 0.911 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.588 1.466 2.108 1.00 0.00 C ATOM 1250 C GLN A 85 -6.532 0.088 2.825 1.00 0.00 C ATOM 1251 O GLN A 85 -7.492 -0.659 2.837 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.091 2.526 3.105 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.986 2.699 4.240 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.383 3.681 5.330 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.255 3.442 6.131 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.773 4.814 5.423 1.00 0.00 N ATOM 0 H GLN A 85 -8.470 1.155 1.113 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.588 1.720 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.267 3.474 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.041 2.218 3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.787 1.728 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.056 3.034 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.031 5.050 4.764 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.032 5.474 6.156 1.00 0.00 H new ATOM 1265 N CYS A 86 -5.399 -0.195 3.423 1.00 0.00 N ATOM 1266 CA CYS A 86 -5.240 -1.505 4.149 1.00 0.00 C ATOM 1267 C CYS A 86 -5.352 -1.287 5.681 1.00 0.00 C ATOM 1268 O CYS A 86 -5.554 -0.168 6.119 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.852 -2.111 3.709 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.343 -2.024 4.714 1.00 0.00 S ATOM 0 H CYS A 86 -4.582 0.415 3.443 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.031 -2.210 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.029 -3.169 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.608 -1.649 2.752 1.00 0.00 H new ATOM 1275 N ALA A 87 -5.239 -2.336 6.461 1.00 0.00 N ATOM 1276 CA ALA A 87 -5.344 -2.185 7.963 1.00 0.00 C ATOM 1277 C ALA A 87 -4.041 -2.361 8.783 1.00 0.00 C ATOM 1278 O ALA A 87 -4.066 -2.351 9.999 1.00 0.00 O ATOM 1279 CB ALA A 87 -6.417 -3.201 8.422 1.00 0.00 C ATOM 0 H ALA A 87 -5.079 -3.288 6.133 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.603 -1.145 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.538 -3.139 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.366 -2.972 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.104 -4.209 8.149 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.940 -2.521 8.103 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.597 -2.702 8.761 1.00 0.00 C ATOM 1287 C ASN A 88 -0.517 -1.875 8.001 1.00 0.00 C ATOM 1288 O ASN A 88 -0.782 -0.791 7.524 1.00 0.00 O ATOM 1289 CB ASN A 88 -1.319 -4.221 8.737 1.00 0.00 C ATOM 1290 CG ASN A 88 -1.327 -4.663 7.281 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -2.336 -4.634 6.610 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.238 -5.079 6.725 1.00 0.00 N ATOM 0 H ASN A 88 -2.906 -2.535 7.084 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.577 -2.338 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.357 -4.442 9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.078 -4.759 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.244 -5.371 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.628 -5.115 7.263 1.00 0.00 H new ATOM 1299 N GLY A 89 0.668 -2.424 7.921 1.00 0.00 N ATOM 1300 CA GLY A 89 1.799 -1.744 7.206 1.00 0.00 C ATOM 1301 C GLY A 89 2.005 -2.497 5.882 1.00 0.00 C ATOM 1302 O GLY A 89 1.105 -3.141 5.378 1.00 0.00 O ATOM 0 H GLY A 89 0.907 -3.329 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.565 -0.695 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.707 -1.767 7.809 1.00 0.00 H new ATOM 1306 N GLY A 90 3.169 -2.408 5.321 1.00 0.00 N ATOM 1307 CA GLY A 90 3.435 -3.119 4.032 1.00 0.00 C ATOM 1308 C GLY A 90 3.692 -2.118 2.958 1.00 0.00 C ATOM 1309 O GLY A 90 4.841 -1.830 2.699 1.00 0.00 O ATOM 0 H GLY A 90 3.955 -1.875 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.294 -3.781 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.582 -3.743 3.766 1.00 0.00 H new ATOM 1313 N LEU A 91 2.572 -1.688 2.429 1.00 0.00 N ATOM 1314 CA LEU A 91 2.513 -0.669 1.335 1.00 0.00 C ATOM 1315 C LEU A 91 1.249 -0.430 0.547 1.00 0.00 C ATOM 1316 O LEU A 91 0.725 0.663 0.530 1.00 0.00 O ATOM 1317 CB LEU A 91 3.683 -0.938 0.274 1.00 0.00 C ATOM 1318 CG LEU A 91 4.508 0.387 0.081 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.811 0.015 -0.613 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.758 1.367 -0.845 1.00 0.00 C ATOM 0 H LEU A 91 1.654 -2.019 2.727 1.00 0.00 H new ATOM 0 HA LEU A 91 2.603 0.239 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.333 -1.740 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.262 -1.262 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 91 4.669 0.857 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.412 0.912 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.364 -0.692 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.592 -0.442 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.346 2.277 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.605 0.903 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.792 1.615 -0.406 1.00 0.00 H new ATOM 1332 N ASP A 92 0.848 -1.488 -0.031 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.401 -1.513 -0.926 1.00 0.00 C ATOM 1334 C ASP A 92 -1.147 -2.843 -1.326 1.00 0.00 C ATOM 1335 O ASP A 92 -1.052 -3.896 -0.718 1.00 0.00 O ATOM 1336 CB ASP A 92 0.074 -0.721 -2.226 1.00 0.00 C ATOM 1337 CG ASP A 92 1.299 -1.353 -2.867 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.120 -2.485 -3.243 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.322 -0.698 -2.952 1.00 0.00 O ATOM 0 H ASP A 92 1.318 -2.390 0.053 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.202 -1.097 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.740 -0.694 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.298 0.312 -1.959 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.968 -2.746 -2.373 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.727 -3.953 -2.924 1.00 0.00 C ATOM 1346 C LEU A 93 -1.768 -3.985 -4.110 1.00 0.00 C ATOM 1347 O LEU A 93 -1.951 -3.226 -5.049 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.073 -3.848 -3.766 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.367 -3.663 -3.016 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.967 -2.415 -3.708 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -6.305 -4.833 -3.324 1.00 0.00 C ATOM 0 H LEU A 93 -2.147 -1.876 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.963 -4.657 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.968 -3.014 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.162 -4.753 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.234 -3.587 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.925 -2.170 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.284 -1.573 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.115 -2.622 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.242 -4.701 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.507 -4.866 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.836 -5.767 -3.015 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.768 -4.786 -3.932 1.00 0.00 N ATOM 1364 CA ASP A 94 0.338 -5.049 -4.915 1.00 0.00 C ATOM 1365 C ASP A 94 0.020 -6.243 -5.882 1.00 0.00 C ATOM 1366 O ASP A 94 -1.002 -6.353 -6.544 1.00 0.00 O ATOM 1367 CB ASP A 94 1.634 -5.270 -4.090 1.00 0.00 C ATOM 1368 CG ASP A 94 2.874 -4.996 -4.960 1.00 0.00 C ATOM 1369 OD1 ASP A 94 2.778 -4.758 -6.160 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.898 -5.050 -4.323 1.00 0.00 O ATOM 0 H ASP A 94 -0.656 -5.320 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 94 0.459 -4.196 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.637 -4.611 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.664 -6.293 -3.714 1.00 0.00 H new ATOM 1375 N TRP A 95 1.030 -7.102 -5.845 1.00 0.00 N ATOM 1376 CA TRP A 95 1.260 -8.397 -6.534 1.00 0.00 C ATOM 1377 C TRP A 95 1.593 -8.284 -7.987 1.00 0.00 C ATOM 1378 O TRP A 95 2.302 -9.116 -8.509 1.00 0.00 O ATOM 1379 CB TRP A 95 0.057 -9.290 -6.354 1.00 0.00 C ATOM 1380 CG TRP A 95 0.688 -10.682 -6.665 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.468 -11.435 -5.819 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.643 -11.301 -7.855 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.841 -12.456 -6.576 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.391 -12.453 -7.822 1.00 0.00 C ATOM 1385 CE3 TRP A 95 -0.005 -10.910 -9.005 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.498 -13.212 -8.960 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.100 -11.669 -10.142 1.00 0.00 C ATOM 1388 CH2 TRP A 95 0.857 -12.821 -10.120 1.00 0.00 C ATOM 0 H TRP A 95 1.830 -6.888 -5.249 1.00 0.00 H new ATOM 0 HA TRP A 95 2.144 -8.828 -6.063 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.352 -9.236 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.752 -9.039 -7.040 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.717 -11.241 -4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.440 -13.201 -6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.596 -10.006 -9.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.085 -14.118 -8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.406 -11.367 -11.047 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.949 -13.421 -11.013 1.00 0.00 H new ATOM 1399 N ASP A 96 1.039 -7.290 -8.608 1.00 0.00 N ATOM 1400 CA ASP A 96 1.388 -7.137 -10.087 1.00 0.00 C ATOM 1401 C ASP A 96 1.577 -5.650 -10.415 1.00 0.00 C ATOM 1402 O ASP A 96 1.951 -5.238 -11.495 1.00 0.00 O ATOM 1403 CB ASP A 96 0.269 -7.751 -11.035 1.00 0.00 C ATOM 1404 CG ASP A 96 0.882 -7.836 -12.484 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.930 -8.452 -12.665 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.282 -7.275 -13.385 1.00 0.00 O ATOM 0 H ASP A 96 0.397 -6.604 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 96 2.311 -7.688 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.032 -8.739 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.624 -7.126 -11.031 1.00 0.00 H new ATOM 1411 N THR A 97 1.312 -4.840 -9.441 1.00 0.00 N ATOM 1412 CA THR A 97 1.443 -3.381 -9.621 1.00 0.00 C ATOM 1413 C THR A 97 2.842 -2.791 -9.283 1.00 0.00 C ATOM 1414 O THR A 97 3.529 -2.331 -10.181 1.00 0.00 O ATOM 1415 CB THR A 97 0.300 -2.726 -8.763 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.706 -2.953 -7.434 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.016 -3.554 -8.761 1.00 0.00 C ATOM 0 H THR A 97 1.005 -5.133 -8.513 1.00 0.00 H new ATOM 0 HA THR A 97 1.343 -3.150 -10.682 1.00 0.00 H new ATOM 0 HB THR A 97 0.145 -1.711 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.073 -2.903 -6.841 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.764 -3.047 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.386 -3.652 -9.782 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.822 -4.544 -8.349 1.00 0.00 H new ATOM 1425 N VAL A 98 3.228 -2.801 -8.028 1.00 0.00 N ATOM 1426 CA VAL A 98 4.542 -2.248 -7.587 1.00 0.00 C ATOM 1427 C VAL A 98 5.796 -3.143 -7.535 1.00 0.00 C ATOM 1428 O VAL A 98 6.607 -3.160 -8.445 1.00 0.00 O ATOM 1429 CB VAL A 98 4.301 -1.592 -6.177 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.598 -0.875 -5.720 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.203 -0.508 -6.297 1.00 0.00 C ATOM 0 H VAL A 98 2.664 -3.184 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 98 4.822 -1.569 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 98 4.009 -2.369 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.437 -0.419 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.410 -1.599 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.861 -0.102 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.034 -0.052 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.523 0.257 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.278 -0.964 -6.649 1.00 0.00 H new ATOM 1441 N PHE A 99 5.864 -3.888 -6.447 1.00 0.00 N ATOM 1442 CA PHE A 99 7.048 -4.812 -6.206 1.00 0.00 C ATOM 1443 C PHE A 99 7.253 -5.636 -7.474 1.00 0.00 C ATOM 1444 O PHE A 99 8.154 -5.377 -8.241 1.00 0.00 O ATOM 1445 CB PHE A 99 6.704 -5.647 -4.923 1.00 0.00 C ATOM 1446 CG PHE A 99 7.911 -5.873 -4.019 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.576 -4.766 -3.533 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.341 -7.133 -3.660 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.660 -4.910 -2.698 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.427 -7.282 -2.826 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.090 -6.167 -2.343 1.00 0.00 C ATOM 0 H PHE A 99 5.156 -3.901 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 99 7.993 -4.303 -6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.926 -5.133 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.296 -6.612 -5.223 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.242 -3.777 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.825 -8.005 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.173 -4.037 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.762 -8.271 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.942 -6.284 -1.690 1.00 0.00 H new ATOM 1461 N THR A 100 6.420 -6.608 -7.684 1.00 0.00 N ATOM 1462 CA THR A 100 6.482 -7.494 -8.908 1.00 0.00 C ATOM 1463 C THR A 100 6.976 -6.930 -10.238 1.00 0.00 C ATOM 1464 O THR A 100 7.344 -7.675 -11.128 1.00 0.00 O ATOM 1465 CB THR A 100 5.115 -8.048 -9.187 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.254 -7.529 -8.183 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.124 -9.527 -9.075 1.00 0.00 C ATOM 0 H THR A 100 5.664 -6.846 -7.042 1.00 0.00 H new ATOM 0 HA THR A 100 7.248 -8.209 -8.606 1.00 0.00 H new ATOM 0 HB THR A 100 4.792 -7.775 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.750 -6.770 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.126 -9.913 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.829 -9.942 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.424 -9.814 -8.067 1.00 0.00 H new ATOM 1475 N LYS A 101 6.953 -5.634 -10.337 1.00 0.00 N ATOM 1476 CA LYS A 101 7.393 -4.960 -11.569 1.00 0.00 C ATOM 1477 C LYS A 101 8.726 -4.215 -11.380 1.00 0.00 C ATOM 1478 O LYS A 101 9.620 -4.366 -12.190 1.00 0.00 O ATOM 1479 CB LYS A 101 6.316 -3.963 -11.969 1.00 0.00 C ATOM 1480 CG LYS A 101 4.942 -4.614 -12.136 1.00 0.00 C ATOM 1481 CD LYS A 101 4.855 -5.343 -13.487 1.00 0.00 C ATOM 1482 CE LYS A 101 3.381 -5.624 -13.743 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.243 -6.258 -15.083 1.00 0.00 N ATOM 0 H LYS A 101 6.640 -5.007 -9.596 1.00 0.00 H new ATOM 0 HA LYS A 101 7.549 -5.714 -12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.253 -3.180 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.602 -3.482 -12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.765 -5.319 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.163 -3.854 -12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.276 -4.730 -14.284 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.427 -6.271 -13.463 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.982 -6.281 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.807 -4.698 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.240 -6.456 -15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.612 -5.614 -15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.781 -7.148 -15.103 1.00 0.00 H new ATOM 1497 N ILE A 102 8.848 -3.435 -10.324 1.00 0.00 N ATOM 1498 CA ILE A 102 10.142 -2.687 -10.128 1.00 0.00 C ATOM 1499 C ILE A 102 11.253 -3.553 -9.502 1.00 0.00 C ATOM 1500 O ILE A 102 12.375 -3.085 -9.376 1.00 0.00 O ATOM 1501 CB ILE A 102 9.896 -1.425 -9.225 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.528 -1.883 -7.776 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.776 -0.511 -9.856 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.319 -0.685 -6.862 1.00 0.00 C ATOM 0 H ILE A 102 8.134 -3.286 -9.611 1.00 0.00 H new ATOM 0 HA ILE A 102 10.485 -2.390 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 102 10.807 -0.829 -9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.622 -2.488 -7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.322 -2.515 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.616 0.360 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.089 -0.184 -10.847 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.848 -1.077 -9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.064 -1.032 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.235 -0.095 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.508 -0.069 -7.250 1.00 0.00 H new ATOM 1516 N ASP A 103 10.857 -4.756 -9.142 1.00 0.00 N ATOM 1517 CA ASP A 103 11.733 -5.808 -8.528 1.00 0.00 C ATOM 1518 C ASP A 103 12.292 -6.748 -9.643 1.00 0.00 C ATOM 1519 O ASP A 103 11.774 -7.805 -9.955 1.00 0.00 O ATOM 1520 CB ASP A 103 10.880 -6.611 -7.518 1.00 0.00 C ATOM 1521 CG ASP A 103 10.656 -5.911 -6.184 1.00 0.00 C ATOM 1522 OD1 ASP A 103 10.207 -4.775 -6.176 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.979 -6.629 -5.254 1.00 0.00 O ATOM 0 H ASP A 103 9.893 -5.067 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 103 12.580 -5.351 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.911 -6.825 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.364 -7.570 -7.334 1.00 0.00 H new ATOM 1528 N THR A 104 13.377 -6.310 -10.215 1.00 0.00 N ATOM 1529 CA THR A 104 14.085 -7.057 -11.326 1.00 0.00 C ATOM 1530 C THR A 104 15.051 -8.171 -10.894 1.00 0.00 C ATOM 1531 O THR A 104 15.244 -9.150 -11.585 1.00 0.00 O ATOM 1532 CB THR A 104 14.875 -6.050 -12.151 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.624 -5.375 -11.151 1.00 0.00 O ATOM 1534 CG2 THR A 104 13.991 -4.922 -12.657 1.00 0.00 C ATOM 0 H THR A 104 13.829 -5.433 -9.957 1.00 0.00 H new ATOM 0 HA THR A 104 13.291 -7.559 -11.879 1.00 0.00 H new ATOM 0 HB THR A 104 15.390 -6.550 -12.971 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.185 -4.689 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.591 -4.224 -13.241 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.200 -5.333 -13.284 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.548 -4.399 -11.810 1.00 0.00 H new ATOM 1542 N ASN A 105 15.633 -7.972 -9.751 1.00 0.00 N ATOM 1543 CA ASN A 105 16.613 -8.943 -9.159 1.00 0.00 C ATOM 1544 C ASN A 105 15.922 -10.135 -8.467 1.00 0.00 C ATOM 1545 O ASN A 105 16.291 -11.271 -8.691 1.00 0.00 O ATOM 1546 CB ASN A 105 17.487 -8.126 -8.166 1.00 0.00 C ATOM 1547 CG ASN A 105 16.607 -7.461 -7.108 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.606 -6.844 -7.397 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.911 -7.538 -5.859 1.00 0.00 N ATOM 0 H ASN A 105 15.469 -7.147 -9.174 1.00 0.00 H new ATOM 0 HA ASN A 105 17.222 -9.394 -9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.213 -8.782 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.052 -7.368 -8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.318 -7.090 -5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.745 -8.047 -5.568 1.00 0.00 H new ATOM 1556 N GLY A 106 14.947 -9.858 -7.645 1.00 0.00 N ATOM 1557 CA GLY A 106 14.213 -10.962 -6.929 1.00 0.00 C ATOM 1558 C GLY A 106 14.429 -10.959 -5.428 1.00 0.00 C ATOM 1559 O GLY A 106 13.477 -11.116 -4.693 1.00 0.00 O ATOM 0 H GLY A 106 14.620 -8.915 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.146 -10.871 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.535 -11.922 -7.332 1.00 0.00 H new ATOM 1563 N ILE A 107 15.664 -10.786 -5.025 1.00 0.00 N ATOM 1564 CA ILE A 107 16.078 -10.754 -3.575 1.00 0.00 C ATOM 1565 C ILE A 107 14.936 -10.323 -2.637 1.00 0.00 C ATOM 1566 O ILE A 107 14.585 -11.020 -1.710 1.00 0.00 O ATOM 1567 CB ILE A 107 17.295 -9.801 -3.470 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.446 -10.210 -4.459 1.00 0.00 C ATOM 1569 CG2 ILE A 107 17.834 -9.823 -2.022 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.809 -11.713 -4.360 1.00 0.00 C ATOM 0 H ILE A 107 16.443 -10.659 -5.671 1.00 0.00 H new ATOM 0 HA ILE A 107 16.344 -11.759 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 107 16.962 -8.799 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.142 -9.980 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.332 -9.611 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.691 -9.154 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.052 -9.494 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.140 -10.837 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.609 -11.941 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.141 -11.941 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.933 -12.315 -4.599 1.00 0.00 H new ATOM 1582 N GLY A 108 14.405 -9.164 -2.934 1.00 0.00 N ATOM 1583 CA GLY A 108 13.272 -8.540 -2.168 1.00 0.00 C ATOM 1584 C GLY A 108 12.236 -9.602 -1.785 1.00 0.00 C ATOM 1585 O GLY A 108 11.915 -9.765 -0.627 1.00 0.00 O ATOM 0 H GLY A 108 14.726 -8.594 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.655 -8.056 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.801 -7.764 -2.771 1.00 0.00 H new ATOM 1589 N TYR A 109 11.743 -10.306 -2.774 1.00 0.00 N ATOM 1590 CA TYR A 109 10.717 -11.379 -2.532 1.00 0.00 C ATOM 1591 C TYR A 109 11.173 -12.306 -1.387 1.00 0.00 C ATOM 1592 O TYR A 109 10.402 -12.727 -0.546 1.00 0.00 O ATOM 1593 CB TYR A 109 10.533 -12.192 -3.840 1.00 0.00 C ATOM 1594 CG TYR A 109 9.427 -13.258 -3.648 1.00 0.00 C ATOM 1595 CD1 TYR A 109 8.088 -12.913 -3.675 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.759 -14.584 -3.446 1.00 0.00 C ATOM 1597 CE1 TYR A 109 7.106 -13.879 -3.504 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.776 -15.543 -3.276 1.00 0.00 C ATOM 1599 CZ TYR A 109 7.445 -15.195 -3.305 1.00 0.00 C ATOM 1600 OH TYR A 109 6.473 -16.157 -3.135 1.00 0.00 O ATOM 0 H TYR A 109 12.008 -10.185 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 109 9.769 -10.925 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.268 -11.524 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 109 11.471 -12.674 -4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.804 -11.883 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.799 -14.876 -3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.065 -13.593 -3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.056 -16.574 -3.119 1.00 0.00 H new ATOM 0 HH TYR A 109 6.897 -17.031 -3.008 1.00 0.00 H new ATOM 1610 N GLN A 110 12.454 -12.566 -1.403 1.00 0.00 N ATOM 1611 CA GLN A 110 13.118 -13.455 -0.394 1.00 0.00 C ATOM 1612 C GLN A 110 13.383 -12.768 0.986 1.00 0.00 C ATOM 1613 O GLN A 110 14.397 -13.039 1.601 1.00 0.00 O ATOM 1614 CB GLN A 110 14.466 -13.946 -1.034 1.00 0.00 C ATOM 1615 CG GLN A 110 14.270 -14.479 -2.495 1.00 0.00 C ATOM 1616 CD GLN A 110 15.612 -14.621 -3.229 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.599 -13.963 -2.984 1.00 0.00 O ATOM 1618 NE2 GLN A 110 15.710 -15.483 -4.180 1.00 0.00 N ATOM 0 H GLN A 110 13.094 -12.185 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 110 12.446 -14.282 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.182 -13.125 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 110 14.893 -14.735 -0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.766 -15.445 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.622 -13.798 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 110 14.908 -16.063 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.589 -15.586 -4.686 1.00 0.00 H new ATOM 1627 N GLN A 111 12.471 -11.917 1.411 1.00 0.00 N ATOM 1628 CA GLN A 111 12.572 -11.175 2.730 1.00 0.00 C ATOM 1629 C GLN A 111 13.755 -10.194 2.760 1.00 0.00 C ATOM 1630 O GLN A 111 14.765 -10.375 3.414 1.00 0.00 O ATOM 1631 CB GLN A 111 12.655 -12.256 3.880 1.00 0.00 C ATOM 1632 CG GLN A 111 11.214 -12.807 4.178 1.00 0.00 C ATOM 1633 CD GLN A 111 10.561 -13.439 2.954 1.00 0.00 C ATOM 1634 OE1 GLN A 111 10.490 -14.641 2.825 1.00 0.00 O ATOM 1635 NE2 GLN A 111 10.068 -12.700 2.015 1.00 0.00 N ATOM 0 H GLN A 111 11.628 -11.695 0.882 1.00 0.00 H new ATOM 0 HA GLN A 111 11.690 -10.551 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.314 -13.071 3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.082 -11.814 4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.270 -13.546 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.586 -11.993 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.110 -11.684 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.637 -13.133 1.199 1.00 0.00 H new ATOM 1644 N GLY A 112 13.555 -9.132 2.017 1.00 0.00 N ATOM 1645 CA GLY A 112 14.596 -8.069 1.904 1.00 0.00 C ATOM 1646 C GLY A 112 14.109 -6.642 1.709 1.00 0.00 C ATOM 1647 O GLY A 112 14.464 -6.055 0.713 1.00 0.00 O ATOM 0 H GLY A 112 12.706 -8.957 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 112 15.208 -8.098 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 112 15.248 -8.321 1.068 1.00 0.00 H new ATOM 1651 N HIS A 113 13.301 -6.156 2.611 1.00 0.00 N ATOM 1652 CA HIS A 113 12.760 -4.726 2.537 1.00 0.00 C ATOM 1653 C HIS A 113 13.793 -3.782 1.824 1.00 0.00 C ATOM 1654 O HIS A 113 14.984 -3.925 2.020 1.00 0.00 O ATOM 1655 CB HIS A 113 12.487 -4.225 3.990 1.00 0.00 C ATOM 1656 CG HIS A 113 13.778 -4.282 4.793 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.232 -5.318 5.410 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.721 -3.308 5.033 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.359 -5.035 5.988 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.698 -3.788 5.776 1.00 0.00 N ATOM 0 H HIS A 113 12.974 -6.684 3.420 1.00 0.00 H new ATOM 0 HA HIS A 113 11.837 -4.713 1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.103 -3.205 3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.724 -4.843 4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.668 -2.294 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 113 15.941 -5.736 6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.529 -3.300 6.110 1.00 0.00 H new ATOM 1668 N LEU A 114 13.362 -2.820 1.045 1.00 0.00 N ATOM 1669 CA LEU A 114 14.366 -1.938 0.332 1.00 0.00 C ATOM 1670 C LEU A 114 14.034 -0.427 0.210 1.00 0.00 C ATOM 1671 O LEU A 114 12.990 0.009 0.643 1.00 0.00 O ATOM 1672 CB LEU A 114 14.538 -2.658 -1.038 1.00 0.00 C ATOM 1673 CG LEU A 114 13.229 -2.574 -1.880 1.00 0.00 C ATOM 1674 CD1 LEU A 114 13.354 -1.498 -2.960 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.988 -3.950 -2.539 1.00 0.00 C ATOM 0 H LEU A 114 12.381 -2.602 0.868 1.00 0.00 H new ATOM 0 HA LEU A 114 15.283 -1.853 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 114 15.360 -2.204 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.803 -3.702 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 114 12.393 -2.310 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 114 12.431 -1.454 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 114 13.535 -0.531 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.185 -1.742 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.075 -3.914 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.832 -4.198 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.887 -4.711 -1.765 1.00 0.00 H new ATOM 1687 N ASN A 115 14.909 0.345 -0.392 1.00 0.00 N ATOM 1688 CA ASN A 115 14.629 1.817 -0.534 1.00 0.00 C ATOM 1689 C ASN A 115 13.981 2.228 -1.884 1.00 0.00 C ATOM 1690 O ASN A 115 14.416 1.849 -2.958 1.00 0.00 O ATOM 1691 CB ASN A 115 15.962 2.582 -0.344 1.00 0.00 C ATOM 1692 CG ASN A 115 15.766 4.097 -0.434 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.340 4.642 -1.428 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.069 4.839 0.578 1.00 0.00 N ATOM 0 H ASN A 115 15.794 0.028 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 115 13.893 2.073 0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.392 2.328 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.676 2.262 -1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.947 5.850 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.431 4.414 1.432 1.00 0.00 H new ATOM 1701 N VAL A 116 12.937 3.000 -1.745 1.00 0.00 N ATOM 1702 CA VAL A 116 12.165 3.516 -2.919 1.00 0.00 C ATOM 1703 C VAL A 116 11.801 5.005 -2.780 1.00 0.00 C ATOM 1704 O VAL A 116 11.882 5.604 -1.718 1.00 0.00 O ATOM 1705 CB VAL A 116 10.839 2.717 -3.093 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.120 1.206 -3.231 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.927 2.962 -1.860 1.00 0.00 C ATOM 0 H VAL A 116 12.575 3.304 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 116 12.814 3.391 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 116 10.343 3.060 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.178 0.670 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.751 1.031 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.630 0.848 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.998 2.404 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.438 2.628 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.704 4.026 -1.778 1.00 0.00 H new ATOM 1717 N ASN A 117 11.402 5.530 -3.909 1.00 0.00 N ATOM 1718 CA ASN A 117 10.988 6.958 -4.003 1.00 0.00 C ATOM 1719 C ASN A 117 9.610 7.024 -4.640 1.00 0.00 C ATOM 1720 O ASN A 117 9.409 6.498 -5.723 1.00 0.00 O ATOM 1721 CB ASN A 117 12.028 7.691 -4.844 1.00 0.00 C ATOM 1722 CG ASN A 117 13.202 7.860 -3.932 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.414 8.887 -3.342 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.013 6.882 -3.745 1.00 0.00 N ATOM 0 H ASN A 117 11.345 5.016 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 117 10.931 7.428 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.295 7.118 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.652 8.654 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.806 6.991 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.864 5.996 -4.229 1.00 0.00 H new ATOM 1731 N TYR A 118 8.699 7.656 -3.946 1.00 0.00 N ATOM 1732 CA TYR A 118 7.345 7.759 -4.518 1.00 0.00 C ATOM 1733 C TYR A 118 6.789 9.157 -4.243 1.00 0.00 C ATOM 1734 O TYR A 118 6.846 9.726 -3.159 1.00 0.00 O ATOM 1735 CB TYR A 118 6.464 6.625 -3.911 1.00 0.00 C ATOM 1736 CG TYR A 118 6.171 6.786 -2.418 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.309 7.774 -2.001 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.758 5.962 -1.475 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.040 7.939 -0.671 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.483 6.134 -0.136 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.626 7.121 0.268 1.00 0.00 C ATOM 1742 OH TYR A 118 5.341 7.311 1.596 1.00 0.00 O ATOM 0 H TYR A 118 8.837 8.091 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 118 7.356 7.627 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.519 6.586 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.963 5.669 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.843 8.422 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.434 5.181 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.362 8.718 -0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.945 5.488 0.596 1.00 0.00 H new ATOM 0 HH TYR A 118 4.459 7.729 1.685 1.00 0.00 H new ATOM 1752 N GLN A 119 6.251 9.679 -5.298 1.00 0.00 N ATOM 1753 CA GLN A 119 5.657 11.040 -5.242 1.00 0.00 C ATOM 1754 C GLN A 119 4.206 11.022 -5.759 1.00 0.00 C ATOM 1755 O GLN A 119 3.914 10.369 -6.753 1.00 0.00 O ATOM 1756 CB GLN A 119 6.551 11.988 -6.103 1.00 0.00 C ATOM 1757 CG GLN A 119 7.912 12.369 -5.389 1.00 0.00 C ATOM 1758 CD GLN A 119 8.935 11.241 -5.196 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.607 10.772 -6.085 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.093 10.766 -4.004 1.00 0.00 N ATOM 0 H GLN A 119 6.195 9.220 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 119 5.623 11.397 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.769 11.507 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.996 12.899 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.387 13.163 -5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.676 12.784 -4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.543 11.138 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.768 10.019 -3.838 1.00 0.00 H new ATOM 1769 N PHE A 120 3.333 11.716 -5.065 1.00 0.00 N ATOM 1770 CA PHE A 120 1.901 11.767 -5.508 1.00 0.00 C ATOM 1771 C PHE A 120 1.886 12.290 -6.964 1.00 0.00 C ATOM 1772 O PHE A 120 2.540 13.255 -7.317 1.00 0.00 O ATOM 1773 CB PHE A 120 1.138 12.708 -4.564 1.00 0.00 C ATOM 1774 CG PHE A 120 0.640 11.979 -3.293 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.487 11.231 -2.489 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.693 12.084 -2.930 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.016 10.608 -1.350 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.171 11.463 -1.793 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.312 10.726 -1.004 1.00 0.00 C ATOM 0 H PHE A 120 3.547 12.244 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 120 1.422 10.788 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.786 13.536 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.287 13.138 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.529 11.134 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.368 12.660 -3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.687 10.030 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.213 11.554 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.682 10.240 -0.113 1.00 0.00 H new ATOM 1789 N VAL A 121 1.128 11.610 -7.773 1.00 0.00 N ATOM 1790 CA VAL A 121 1.019 11.989 -9.214 1.00 0.00 C ATOM 1791 C VAL A 121 -0.384 11.790 -9.803 1.00 0.00 C ATOM 1792 O VAL A 121 -1.218 11.083 -9.265 1.00 0.00 O ATOM 1793 CB VAL A 121 2.129 11.138 -9.925 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.576 10.192 -10.992 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.099 12.083 -10.642 1.00 0.00 C ATOM 0 H VAL A 121 0.572 10.800 -7.499 1.00 0.00 H new ATOM 0 HA VAL A 121 1.174 13.058 -9.361 1.00 0.00 H new ATOM 0 HB VAL A 121 2.607 10.546 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.396 9.634 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.874 9.496 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.064 10.770 -11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.874 11.500 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.555 12.670 -11.382 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.559 12.753 -9.915 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.594 12.448 -10.907 1.00 0.00 N ATOM 1806 CA ASP A 122 -1.906 12.341 -11.585 1.00 0.00 C ATOM 1807 C ASP A 122 -1.833 11.162 -12.575 1.00 0.00 C ATOM 1808 O ASP A 122 -0.791 10.842 -13.121 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.180 13.674 -12.304 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.496 13.650 -13.102 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.336 12.795 -12.835 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.564 14.527 -13.951 1.00 0.00 O ATOM 0 H ASP A 122 0.087 13.053 -11.366 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.719 12.154 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.218 14.479 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.353 13.897 -12.978 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.968 10.560 -12.749 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.122 9.405 -13.665 1.00 0.00 C ATOM 1819 C CYS A 123 -3.486 9.848 -15.080 1.00 0.00 C ATOM 1820 O CYS A 123 -2.988 9.329 -16.057 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.231 8.493 -13.171 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.350 8.116 -11.410 1.00 0.00 S ATOM 0 H CYS A 123 -3.829 10.832 -12.275 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.164 8.886 -13.683 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.179 8.937 -13.475 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.137 7.546 -13.703 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.364 10.821 -15.075 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.950 11.468 -16.302 1.00 0.00 C ATOM 1829 C ARG A 124 -5.224 10.401 -17.413 1.00 0.00 C ATOM 1830 O ARG A 124 -4.736 10.479 -18.524 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.959 12.569 -16.814 1.00 0.00 C ATOM 1832 CG ARG A 124 -4.726 13.576 -17.751 1.00 0.00 C ATOM 1833 CD ARG A 124 -5.136 14.872 -16.997 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.911 15.759 -16.925 1.00 0.00 N ATOM 1835 CZ ARG A 124 -3.679 16.721 -17.763 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -4.276 16.696 -18.888 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -2.869 17.665 -17.466 1.00 0.00 N ATOM 0 H ARG A 124 -4.724 11.222 -14.209 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.905 11.930 -16.052 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.524 13.102 -15.969 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.135 12.107 -17.357 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.094 13.835 -18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.617 13.092 -18.152 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.947 15.379 -17.519 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -5.499 14.636 -15.997 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.235 15.591 -16.180 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.916 15.933 -19.109 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.114 17.439 -19.568 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.397 17.667 -16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -2.695 18.416 -18.134 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.031 9.443 -17.011 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.481 8.278 -17.851 1.00 0.00 C ATOM 1853 C ASP A 125 -7.782 8.789 -18.539 1.00 0.00 C ATOM 1854 O ASP A 125 -7.817 8.767 -19.759 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.771 7.061 -16.885 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.845 5.691 -17.551 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.769 5.263 -17.933 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.914 5.112 -17.641 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.678 9.190 -17.805 1.00 0.00 O ATOM 0 H ASP A 125 -6.421 9.423 -16.069 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.752 7.942 -18.588 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.992 7.032 -16.123 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.714 7.246 -16.371 1.00 0.00 H new TER 1864 ASP A 125