USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 51 SER OG : rot 76:sc= 0.714 USER MOD Set 1.2: A 75 GLN : amide:sc= -1.96 K(o=-1.2,f=-3.7!) USER MOD Set 2.1: A 43 SER OG : rot -170:sc= 0.115 USER MOD Set 2.2: A 95 TYR OH : rot 132:sc= 0.00921 USER MOD Set 3.1: A 20 CYS SG : rot 180:sc= 0.419 USER MOD Set 3.2: A 44 ASN : amide:sc= -0.539 K(o=0.34,f=-4.8!) USER MOD Set 3.3: A 55 SER OG : rot 148:sc= 0.464 USER MOD Set 4.1: A 3 GLN : amide:sc= -2.25! C(o=-0.99!,f=-11!) USER MOD Set 4.2: A 5 LYS NZ :NH3+ -135:sc= 1.26 (180deg=-0.308) USER MOD Single : A 8 CYS SG : rot -1:sc= -0.293 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 0.354 (180deg=-0.0746) USER MOD Single : A 17 THR OG1 : rot -44:sc= 1.28 USER MOD Single : A 27 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.75) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.54) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00684 K(o=-0.0068,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 62 HIS : no HE2:sc= 1 K(o=1,f=-4.6!) USER MOD Single : A 63 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.025) USER MOD Single : A 70 SER OG : rot 110:sc= -1.59! USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0236 (180deg=-0.226) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -168:sc= 1.96 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 76:sc= -0.34 USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0581) USER MOD Single : A 94 HIS : no HE2:sc= 0.785 K(o=0.78,f=-3.6!) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= -0.289 (180deg=-1.15) USER MOD Single : A 105 GLN : amide:sc= 0.855 K(o=0.85,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -14.036 7.212 5.885 1.00 0.00 N ATOM 29 CA GLN A 3 -15.078 6.953 4.906 1.00 0.00 C ATOM 30 C GLN A 3 -14.638 5.869 3.929 1.00 0.00 C ATOM 31 O GLN A 3 -13.681 6.040 3.177 1.00 0.00 O ATOM 32 CB GLN A 3 -15.520 8.236 4.168 1.00 0.00 C ATOM 33 CG GLN A 3 -14.464 9.334 4.015 1.00 0.00 C ATOM 34 CD GLN A 3 -13.296 8.953 3.123 1.00 0.00 C ATOM 35 OE1 GLN A 3 -13.376 9.055 1.898 1.00 0.00 O ATOM 36 NE2 GLN A 3 -12.180 8.591 3.731 1.00 0.00 N ATOM 0 HA GLN A 3 -15.953 6.591 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.867 7.955 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.375 8.656 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.940 10.227 3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.083 9.596 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.154 8.518 4.748 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.345 8.385 3.183 1.00 0.00 H new ATOM 45 N TRP A 4 -15.327 4.737 3.980 1.00 0.00 N ATOM 46 CA TRP A 4 -15.017 3.607 3.114 1.00 0.00 C ATOM 47 C TRP A 4 -15.318 3.933 1.661 1.00 0.00 C ATOM 48 O TRP A 4 -16.464 4.193 1.291 1.00 0.00 O ATOM 49 CB TRP A 4 -15.802 2.367 3.542 1.00 0.00 C ATOM 50 CG TRP A 4 -15.396 1.842 4.885 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.022 2.064 6.076 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.270 1.006 5.171 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.352 1.418 7.086 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.273 0.761 6.557 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.260 0.442 4.391 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.305 -0.026 7.177 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.300 -0.338 5.006 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.327 -0.565 6.388 1.00 0.00 C ATOM 0 H TRP A 4 -16.108 4.576 4.616 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.951 3.401 3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.865 2.607 3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.665 1.584 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.913 2.660 6.206 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.616 1.426 8.071 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.229 0.612 3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.326 -0.204 8.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.515 -0.781 4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.560 -1.178 6.839 1.00 0.00 H new ATOM 69 N LYS A 5 -14.280 3.937 0.849 1.00 0.00 N ATOM 70 CA LYS A 5 -14.422 4.185 -0.573 1.00 0.00 C ATOM 71 C LYS A 5 -14.462 2.883 -1.352 1.00 0.00 C ATOM 72 O LYS A 5 -13.555 2.056 -1.248 1.00 0.00 O ATOM 73 CB LYS A 5 -13.280 5.066 -1.079 1.00 0.00 C ATOM 74 CG LYS A 5 -13.491 6.543 -0.809 1.00 0.00 C ATOM 75 CD LYS A 5 -14.655 7.080 -1.621 1.00 0.00 C ATOM 76 CE LYS A 5 -14.966 8.522 -1.275 1.00 0.00 C ATOM 77 NZ LYS A 5 -15.402 8.674 0.138 1.00 0.00 N ATOM 0 H LYS A 5 -13.321 3.770 1.152 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.366 4.707 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.350 4.748 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.162 4.914 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.680 6.699 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.584 7.095 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.423 7.003 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.537 6.465 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.082 9.135 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.748 8.893 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.234 9.297 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.647 7.742 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.630 9.090 0.697 1.00 0.00 H new ATOM 91 N ASP A 6 -15.530 2.704 -2.115 1.00 0.00 N ATOM 92 CA ASP A 6 -15.664 1.562 -3.007 1.00 0.00 C ATOM 93 C ASP A 6 -14.791 1.793 -4.235 1.00 0.00 C ATOM 94 O ASP A 6 -15.155 2.560 -5.126 1.00 0.00 O ATOM 95 CB ASP A 6 -17.132 1.397 -3.419 1.00 0.00 C ATOM 96 CG ASP A 6 -17.422 0.095 -4.141 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.128 -0.008 -5.354 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.977 -0.828 -3.500 1.00 0.00 O ATOM 0 H ASP A 6 -16.325 3.343 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.343 0.652 -2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.758 1.455 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.415 2.230 -4.063 1.00 0.00 H new ATOM 103 N ILE A 7 -13.620 1.171 -4.260 1.00 0.00 N ATOM 104 CA ILE A 7 -12.656 1.419 -5.323 1.00 0.00 C ATOM 105 C ILE A 7 -12.936 0.532 -6.528 1.00 0.00 C ATOM 106 O ILE A 7 -13.580 0.944 -7.494 1.00 0.00 O ATOM 107 CB ILE A 7 -11.209 1.163 -4.843 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.951 1.845 -3.497 1.00 0.00 C ATOM 109 CG2 ILE A 7 -10.209 1.649 -5.884 1.00 0.00 C ATOM 110 CD1 ILE A 7 -11.127 3.346 -3.526 1.00 0.00 C ATOM 0 H ILE A 7 -13.316 0.494 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.759 2.466 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.081 0.089 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.627 1.424 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.936 1.614 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.195 1.461 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.371 1.116 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.344 2.718 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.927 3.755 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.432 3.780 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.149 3.587 -3.818 1.00 0.00 H new ATOM 122 N CYS A 8 -12.452 -0.691 -6.447 1.00 0.00 N ATOM 123 CA CYS A 8 -12.598 -1.670 -7.505 1.00 0.00 C ATOM 124 C CYS A 8 -12.718 -3.033 -6.856 1.00 0.00 C ATOM 125 O CYS A 8 -12.933 -3.119 -5.652 1.00 0.00 O ATOM 126 CB CYS A 8 -11.394 -1.626 -8.454 1.00 0.00 C ATOM 127 SG CYS A 8 -11.153 -0.029 -9.271 1.00 0.00 S ATOM 0 H CYS A 8 -11.940 -1.037 -5.635 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.486 -1.455 -8.099 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.493 -1.874 -7.892 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.517 -2.396 -9.215 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.091 0.792 -8.904 1.00 0.00 H new ATOM 133 N LYS A 9 -12.564 -4.091 -7.617 1.00 0.00 N ATOM 134 CA LYS A 9 -12.691 -5.418 -7.057 1.00 0.00 C ATOM 135 C LYS A 9 -11.316 -6.001 -6.792 1.00 0.00 C ATOM 136 O LYS A 9 -10.326 -5.562 -7.370 1.00 0.00 O ATOM 137 CB LYS A 9 -13.484 -6.318 -8.000 1.00 0.00 C ATOM 138 CG LYS A 9 -14.853 -5.761 -8.347 1.00 0.00 C ATOM 139 CD LYS A 9 -15.595 -6.670 -9.305 1.00 0.00 C ATOM 140 CE LYS A 9 -16.461 -7.691 -8.581 1.00 0.00 C ATOM 141 NZ LYS A 9 -15.688 -8.544 -7.636 1.00 0.00 N ATOM 0 H LYS A 9 -12.353 -4.062 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.231 -5.354 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.914 -6.463 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.604 -7.299 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.438 -5.636 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.743 -4.773 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.221 -6.067 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.877 -7.190 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.246 -7.170 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.954 -8.327 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.224 -9.412 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.773 -8.794 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.526 -8.023 -6.751 1.00 0.00 H new ATOM 155 N ILE A 10 -11.252 -6.991 -5.915 1.00 0.00 N ATOM 156 CA ILE A 10 -9.987 -7.639 -5.604 1.00 0.00 C ATOM 157 C ILE A 10 -9.553 -8.508 -6.784 1.00 0.00 C ATOM 158 O ILE A 10 -8.425 -8.990 -6.851 1.00 0.00 O ATOM 159 CB ILE A 10 -10.084 -8.477 -4.310 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.687 -8.876 -3.829 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.950 -9.712 -4.528 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.670 -9.435 -2.427 1.00 0.00 C ATOM 0 H ILE A 10 -12.056 -7.362 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.236 -6.868 -5.432 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.555 -7.866 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.274 -9.618 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.034 -8.004 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.004 -10.287 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.953 -9.405 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.513 -10.329 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.648 -9.696 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.053 -8.687 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.297 -10.326 -2.383 1.00 0.00 H new ATOM 174 N ASP A 11 -10.473 -8.674 -7.727 1.00 0.00 N ATOM 175 CA ASP A 11 -10.203 -9.381 -8.969 1.00 0.00 C ATOM 176 C ASP A 11 -9.301 -8.539 -9.861 1.00 0.00 C ATOM 177 O ASP A 11 -8.657 -9.052 -10.775 1.00 0.00 O ATOM 178 CB ASP A 11 -11.513 -9.681 -9.704 1.00 0.00 C ATOM 179 CG ASP A 11 -12.549 -10.336 -8.816 1.00 0.00 C ATOM 180 OD1 ASP A 11 -13.310 -9.604 -8.145 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.616 -11.582 -8.777 1.00 0.00 O ATOM 0 H ASP A 11 -11.427 -8.321 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.703 -10.321 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.920 -8.753 -10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.306 -10.332 -10.554 1.00 0.00 H new ATOM 186 N ASP A 12 -9.264 -7.238 -9.588 1.00 0.00 N ATOM 187 CA ASP A 12 -8.448 -6.308 -10.361 1.00 0.00 C ATOM 188 C ASP A 12 -7.002 -6.327 -9.884 1.00 0.00 C ATOM 189 O ASP A 12 -6.099 -5.887 -10.595 1.00 0.00 O ATOM 190 CB ASP A 12 -8.995 -4.878 -10.248 1.00 0.00 C ATOM 191 CG ASP A 12 -10.362 -4.701 -10.883 1.00 0.00 C ATOM 192 OD1 ASP A 12 -10.440 -4.625 -12.128 1.00 0.00 O ATOM 193 OD2 ASP A 12 -11.368 -4.617 -10.144 1.00 0.00 O ATOM 0 H ASP A 12 -9.793 -6.802 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.487 -6.628 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.054 -4.602 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.293 -4.190 -10.719 1.00 0.00 H new ATOM 198 N ILE A 13 -6.783 -6.842 -8.683 1.00 0.00 N ATOM 199 CA ILE A 13 -5.459 -6.824 -8.075 1.00 0.00 C ATOM 200 C ILE A 13 -4.912 -8.240 -7.934 1.00 0.00 C ATOM 201 O ILE A 13 -5.553 -9.111 -7.348 1.00 0.00 O ATOM 202 CB ILE A 13 -5.489 -6.144 -6.689 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.253 -4.818 -6.766 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.072 -5.908 -6.186 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.441 -4.142 -5.425 1.00 0.00 C ATOM 0 H ILE A 13 -7.505 -7.278 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.806 -6.250 -8.732 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.002 -6.803 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.719 -4.140 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.231 -4.998 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.108 -5.428 -5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.552 -6.862 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.540 -5.264 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.990 -3.210 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.002 -4.800 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.467 -3.928 -4.985 1.00 0.00 H new ATOM 217 N LEU A 14 -3.721 -8.457 -8.466 1.00 0.00 N ATOM 218 CA LEU A 14 -3.101 -9.775 -8.458 1.00 0.00 C ATOM 219 C LEU A 14 -2.275 -9.975 -7.187 1.00 0.00 C ATOM 220 O LEU A 14 -2.008 -9.018 -6.456 1.00 0.00 O ATOM 221 CB LEU A 14 -2.208 -9.931 -9.695 1.00 0.00 C ATOM 222 CG LEU A 14 -2.932 -9.818 -11.037 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.933 -9.842 -12.181 1.00 0.00 C ATOM 224 CD2 LEU A 14 -3.946 -10.941 -11.191 1.00 0.00 C ATOM 0 H LEU A 14 -3.159 -7.732 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.885 -10.532 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.426 -9.173 -9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.714 -10.901 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.465 -8.868 -11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.464 -9.761 -13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.243 -9.005 -12.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.375 -10.778 -12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.452 -10.845 -12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.434 -11.902 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.680 -10.882 -10.387 1.00 0.00 H new ATOM 236 N PRO A 15 -1.880 -11.222 -6.887 1.00 0.00 N ATOM 237 CA PRO A 15 -0.990 -11.509 -5.761 1.00 0.00 C ATOM 238 C PRO A 15 0.368 -10.823 -5.926 1.00 0.00 C ATOM 239 O PRO A 15 0.972 -10.869 -7.002 1.00 0.00 O ATOM 240 CB PRO A 15 -0.837 -13.035 -5.790 1.00 0.00 C ATOM 241 CG PRO A 15 -1.242 -13.443 -7.164 1.00 0.00 C ATOM 242 CD PRO A 15 -2.279 -12.450 -7.596 1.00 0.00 C ATOM 0 HA PRO A 15 -1.390 -11.140 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.190 -13.332 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.467 -13.508 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.388 -13.436 -7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.645 -14.456 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.278 -12.310 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.283 -12.769 -7.317 1.00 0.00 H new ATOM 250 N GLU A 16 0.818 -10.175 -4.854 1.00 0.00 N ATOM 251 CA GLU A 16 2.091 -9.453 -4.828 1.00 0.00 C ATOM 252 C GLU A 16 2.125 -8.324 -5.859 1.00 0.00 C ATOM 253 O GLU A 16 3.140 -8.110 -6.526 1.00 0.00 O ATOM 254 CB GLU A 16 3.277 -10.404 -5.022 1.00 0.00 C ATOM 255 CG GLU A 16 3.530 -11.308 -3.825 1.00 0.00 C ATOM 256 CD GLU A 16 3.109 -12.744 -4.063 1.00 0.00 C ATOM 257 OE1 GLU A 16 1.926 -12.984 -4.386 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.967 -13.643 -3.934 1.00 0.00 O ATOM 0 H GLU A 16 0.307 -10.135 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 16 2.180 -9.000 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.098 -11.021 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.174 -9.818 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.591 -11.283 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.992 -10.916 -2.962 1.00 0.00 H new ATOM 265 N THR A 17 1.024 -7.585 -5.967 1.00 0.00 N ATOM 266 CA THR A 17 0.970 -6.434 -6.866 1.00 0.00 C ATOM 267 C THR A 17 0.322 -5.239 -6.173 1.00 0.00 C ATOM 268 O THR A 17 -0.418 -5.401 -5.198 1.00 0.00 O ATOM 269 CB THR A 17 0.202 -6.731 -8.178 1.00 0.00 C ATOM 270 OG1 THR A 17 -1.169 -7.035 -7.906 1.00 0.00 O ATOM 271 CG2 THR A 17 0.835 -7.885 -8.944 1.00 0.00 C ATOM 0 H THR A 17 0.163 -7.760 -5.448 1.00 0.00 H new ATOM 0 HA THR A 17 2.003 -6.205 -7.126 1.00 0.00 H new ATOM 0 HB THR A 17 0.256 -5.833 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.223 -7.643 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.271 -8.067 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.865 -7.633 -9.196 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.822 -8.783 -8.326 1.00 0.00 H new ATOM 279 N GLY A 18 0.614 -4.046 -6.669 1.00 0.00 N ATOM 280 CA GLY A 18 0.027 -2.845 -6.114 1.00 0.00 C ATOM 281 C GLY A 18 -0.479 -1.907 -7.189 1.00 0.00 C ATOM 282 O GLY A 18 0.131 -1.792 -8.254 1.00 0.00 O ATOM 0 H GLY A 18 1.251 -3.888 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.797 -3.117 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.768 -2.329 -5.503 1.00 0.00 H new ATOM 286 N VAL A 19 -1.591 -1.240 -6.914 1.00 0.00 N ATOM 287 CA VAL A 19 -2.182 -0.298 -7.860 1.00 0.00 C ATOM 288 C VAL A 19 -2.336 1.081 -7.220 1.00 0.00 C ATOM 289 O VAL A 19 -2.150 1.234 -6.012 1.00 0.00 O ATOM 290 CB VAL A 19 -3.562 -0.782 -8.361 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.427 -2.080 -9.145 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.528 -0.955 -7.198 1.00 0.00 C ATOM 0 H VAL A 19 -2.106 -1.333 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.506 -0.234 -8.713 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.966 -0.021 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.410 -2.402 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.777 -1.919 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.996 -2.849 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.493 -1.296 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.129 -1.692 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.655 -0.001 -6.686 1.00 0.00 H new ATOM 302 N CYS A 20 -2.665 2.080 -8.031 1.00 0.00 N ATOM 303 CA CYS A 20 -2.860 3.439 -7.534 1.00 0.00 C ATOM 304 C CYS A 20 -4.338 3.817 -7.578 1.00 0.00 C ATOM 305 O CYS A 20 -4.997 3.660 -8.609 1.00 0.00 O ATOM 306 CB CYS A 20 -2.048 4.431 -8.371 1.00 0.00 C ATOM 307 SG CYS A 20 -0.299 4.004 -8.540 1.00 0.00 S ATOM 0 H CYS A 20 -2.803 1.975 -9.036 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.516 3.479 -6.500 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.491 4.498 -9.365 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.127 5.420 -7.919 1.00 0.00 H new ATOM 0 HG CYS A 20 0.299 4.902 -9.266 1.00 0.00 H new ATOM 313 N ALA A 21 -4.852 4.312 -6.461 1.00 0.00 N ATOM 314 CA ALA A 21 -6.245 4.719 -6.369 1.00 0.00 C ATOM 315 C ALA A 21 -6.362 6.107 -5.748 1.00 0.00 C ATOM 316 O ALA A 21 -5.482 6.539 -5.002 1.00 0.00 O ATOM 317 CB ALA A 21 -7.037 3.708 -5.555 1.00 0.00 C ATOM 0 H ALA A 21 -4.320 4.442 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.658 4.759 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.078 4.025 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.983 2.731 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.619 3.642 -4.551 1.00 0.00 H new ATOM 323 N LEU A 22 -7.451 6.802 -6.053 1.00 0.00 N ATOM 324 CA LEU A 22 -7.663 8.148 -5.540 1.00 0.00 C ATOM 325 C LEU A 22 -8.794 8.168 -4.516 1.00 0.00 C ATOM 326 O LEU A 22 -9.958 7.943 -4.852 1.00 0.00 O ATOM 327 CB LEU A 22 -7.977 9.115 -6.685 1.00 0.00 C ATOM 328 CG LEU A 22 -6.867 9.273 -7.729 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.319 10.200 -8.847 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.593 9.800 -7.083 1.00 0.00 C ATOM 0 H LEU A 22 -8.200 6.455 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.745 8.469 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.882 8.775 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.197 10.095 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.654 8.293 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.519 10.302 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.203 9.784 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.559 11.179 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.817 9.905 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.790 10.771 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.258 9.102 -6.316 1.00 0.00 H new ATOM 342 N LEU A 23 -8.437 8.424 -3.267 1.00 0.00 N ATOM 343 CA LEU A 23 -9.410 8.540 -2.190 1.00 0.00 C ATOM 344 C LEU A 23 -9.540 10.008 -1.796 1.00 0.00 C ATOM 345 O LEU A 23 -8.725 10.528 -1.041 1.00 0.00 O ATOM 346 CB LEU A 23 -8.970 7.669 -0.997 1.00 0.00 C ATOM 347 CG LEU A 23 -9.939 7.590 0.192 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.830 6.232 0.866 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.639 8.679 1.208 1.00 0.00 C ATOM 0 H LEU A 23 -7.470 8.557 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.386 8.183 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.794 6.657 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.015 8.047 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.951 7.731 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.521 6.187 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.079 5.449 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.811 6.085 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.338 8.602 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.620 8.561 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.743 9.656 0.736 1.00 0.00 H new ATOM 361 N GLY A 24 -10.548 10.683 -2.333 1.00 0.00 N ATOM 362 CA GLY A 24 -10.660 12.115 -2.133 1.00 0.00 C ATOM 363 C GLY A 24 -9.546 12.847 -2.850 1.00 0.00 C ATOM 364 O GLY A 24 -9.612 13.051 -4.062 1.00 0.00 O ATOM 0 H GLY A 24 -11.287 10.267 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.625 12.464 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.623 12.342 -1.067 1.00 0.00 H new ATOM 368 N ASP A 25 -8.523 13.238 -2.106 1.00 0.00 N ATOM 369 CA ASP A 25 -7.308 13.785 -2.698 1.00 0.00 C ATOM 370 C ASP A 25 -6.116 12.959 -2.253 1.00 0.00 C ATOM 371 O ASP A 25 -4.962 13.304 -2.519 1.00 0.00 O ATOM 372 CB ASP A 25 -7.098 15.250 -2.307 1.00 0.00 C ATOM 373 CG ASP A 25 -8.145 16.170 -2.894 1.00 0.00 C ATOM 374 OD1 ASP A 25 -8.073 16.465 -4.107 1.00 0.00 O ATOM 375 OD2 ASP A 25 -9.040 16.613 -2.145 1.00 0.00 O ATOM 0 H ASP A 25 -8.508 13.187 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.410 13.743 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.113 15.337 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.111 15.572 -2.639 1.00 0.00 H new ATOM 380 N GLU A 26 -6.408 11.865 -1.569 1.00 0.00 N ATOM 381 CA GLU A 26 -5.378 10.977 -1.065 1.00 0.00 C ATOM 382 C GLU A 26 -4.964 9.991 -2.141 1.00 0.00 C ATOM 383 O GLU A 26 -5.766 9.164 -2.583 1.00 0.00 O ATOM 384 CB GLU A 26 -5.874 10.213 0.164 1.00 0.00 C ATOM 385 CG GLU A 26 -6.314 11.110 1.307 1.00 0.00 C ATOM 386 CD GLU A 26 -5.216 12.040 1.767 1.00 0.00 C ATOM 387 OE1 GLU A 26 -4.234 11.556 2.364 1.00 0.00 O ATOM 388 OE2 GLU A 26 -5.330 13.258 1.530 1.00 0.00 O ATOM 0 H GLU A 26 -7.360 11.570 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.518 11.583 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.709 9.577 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.080 9.555 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.176 11.698 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.638 10.493 2.145 1.00 0.00 H new ATOM 395 N GLN A 27 -3.721 10.095 -2.570 1.00 0.00 N ATOM 396 CA GLN A 27 -3.169 9.160 -3.531 1.00 0.00 C ATOM 397 C GLN A 27 -2.760 7.883 -2.803 1.00 0.00 C ATOM 398 O GLN A 27 -1.742 7.841 -2.108 1.00 0.00 O ATOM 399 CB GLN A 27 -1.985 9.801 -4.258 1.00 0.00 C ATOM 400 CG GLN A 27 -2.355 11.087 -4.985 1.00 0.00 C ATOM 401 CD GLN A 27 -1.155 11.809 -5.568 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.544 12.654 -4.913 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.822 11.495 -6.808 1.00 0.00 N ATOM 0 H GLN A 27 -3.072 10.821 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.916 8.904 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.195 10.013 -3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.579 9.089 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.056 10.855 -5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.871 11.753 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.355 10.789 -7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.032 11.959 -7.257 1.00 0.00 H new ATOM 412 N VAL A 28 -3.589 6.860 -2.931 1.00 0.00 N ATOM 413 CA VAL A 28 -3.422 5.635 -2.167 1.00 0.00 C ATOM 414 C VAL A 28 -2.899 4.509 -3.046 1.00 0.00 C ATOM 415 O VAL A 28 -3.338 4.338 -4.184 1.00 0.00 O ATOM 416 CB VAL A 28 -4.759 5.194 -1.522 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.564 3.973 -0.636 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.377 6.332 -0.726 1.00 0.00 C ATOM 0 H VAL A 28 -4.390 6.855 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.696 5.843 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.442 4.925 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.519 3.686 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.177 3.148 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.856 4.209 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.315 5.998 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.691 6.638 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.569 7.177 -1.388 1.00 0.00 H new ATOM 428 N ALA A 29 -1.953 3.755 -2.516 1.00 0.00 N ATOM 429 CA ALA A 29 -1.438 2.586 -3.198 1.00 0.00 C ATOM 430 C ALA A 29 -2.002 1.330 -2.557 1.00 0.00 C ATOM 431 O ALA A 29 -1.706 1.024 -1.399 1.00 0.00 O ATOM 432 CB ALA A 29 0.080 2.569 -3.162 1.00 0.00 C ATOM 0 H ALA A 29 -1.524 3.935 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.749 2.621 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.446 1.683 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.466 3.462 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.419 2.550 -2.126 1.00 0.00 H new ATOM 438 N ILE A 30 -2.834 0.620 -3.300 1.00 0.00 N ATOM 439 CA ILE A 30 -3.451 -0.592 -2.796 1.00 0.00 C ATOM 440 C ILE A 30 -2.578 -1.791 -3.133 1.00 0.00 C ATOM 441 O ILE A 30 -2.482 -2.195 -4.294 1.00 0.00 O ATOM 442 CB ILE A 30 -4.862 -0.817 -3.382 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.722 0.441 -3.226 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.529 -2.003 -2.695 1.00 0.00 C ATOM 445 CD1 ILE A 30 -7.091 0.328 -3.865 1.00 0.00 C ATOM 0 H ILE A 30 -3.097 0.863 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.549 -0.480 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.765 -1.033 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.843 0.658 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.195 1.287 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.524 -2.154 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.929 -2.899 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.612 -1.805 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.641 1.257 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.980 0.143 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.639 -0.497 -3.409 1.00 0.00 H new ATOM 457 N PHE A 31 -1.930 -2.342 -2.124 1.00 0.00 N ATOM 458 CA PHE A 31 -1.054 -3.481 -2.318 1.00 0.00 C ATOM 459 C PHE A 31 -1.732 -4.764 -1.880 1.00 0.00 C ATOM 460 O PHE A 31 -2.276 -4.847 -0.777 1.00 0.00 O ATOM 461 CB PHE A 31 0.243 -3.319 -1.524 1.00 0.00 C ATOM 462 CG PHE A 31 1.117 -2.190 -1.986 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.967 -2.356 -3.067 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.099 -0.970 -1.333 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.781 -1.324 -3.488 1.00 0.00 C ATOM 466 CE2 PHE A 31 1.913 0.065 -1.749 1.00 0.00 C ATOM 467 CZ PHE A 31 2.754 -0.113 -2.827 1.00 0.00 C ATOM 0 H PHE A 31 -1.994 -2.018 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.824 -3.532 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.005 -3.164 -0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.809 -4.248 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.993 -3.303 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.441 -0.826 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.438 -1.464 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.891 1.012 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.391 0.695 -3.154 1.00 0.00 H new ATOM 477 N ARG A 32 -1.706 -5.757 -2.746 1.00 0.00 N ATOM 478 CA ARG A 32 -2.080 -7.097 -2.358 1.00 0.00 C ATOM 479 C ARG A 32 -0.802 -7.908 -2.216 1.00 0.00 C ATOM 480 O ARG A 32 -0.223 -8.336 -3.210 1.00 0.00 O ATOM 481 CB ARG A 32 -3.006 -7.723 -3.406 1.00 0.00 C ATOM 482 CG ARG A 32 -3.537 -9.096 -3.024 1.00 0.00 C ATOM 483 CD ARG A 32 -4.476 -9.643 -4.089 1.00 0.00 C ATOM 484 NE ARG A 32 -5.030 -10.945 -3.721 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.869 -11.642 -4.487 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.245 -11.176 -5.674 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.325 -12.815 -4.070 1.00 0.00 N ATOM 0 H ARG A 32 -1.429 -5.659 -3.723 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.624 -7.081 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.849 -7.054 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.467 -7.803 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.703 -9.784 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.062 -9.033 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.290 -8.936 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.939 -9.732 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.758 -11.345 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.891 -10.278 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.887 -11.716 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.034 -13.183 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.967 -13.350 -4.655 1.00 0.00 H new ATOM 501 N PRO A 33 -0.327 -8.091 -0.976 1.00 0.00 N ATOM 502 CA PRO A 33 0.927 -8.782 -0.704 1.00 0.00 C ATOM 503 C PRO A 33 0.749 -10.284 -0.515 1.00 0.00 C ATOM 504 O PRO A 33 1.645 -11.071 -0.814 1.00 0.00 O ATOM 505 CB PRO A 33 1.391 -8.121 0.590 1.00 0.00 C ATOM 506 CG PRO A 33 0.138 -7.712 1.300 1.00 0.00 C ATOM 507 CD PRO A 33 -0.955 -7.598 0.261 1.00 0.00 C ATOM 0 HA PRO A 33 1.634 -8.700 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.978 -8.812 1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.026 -7.259 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.130 -8.447 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.281 -6.761 1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.826 -8.195 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.296 -6.568 0.152 1.00 0.00 H new ATOM 515 N TYR A 34 -0.411 -10.677 -0.019 1.00 0.00 N ATOM 516 CA TYR A 34 -0.707 -12.079 0.188 1.00 0.00 C ATOM 517 C TYR A 34 -1.561 -12.596 -0.957 1.00 0.00 C ATOM 518 O TYR A 34 -2.251 -11.820 -1.620 1.00 0.00 O ATOM 519 CB TYR A 34 -1.420 -12.287 1.529 1.00 0.00 C ATOM 520 CG TYR A 34 -0.575 -11.927 2.732 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.320 -12.842 3.277 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.675 -10.676 3.327 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.087 -12.519 4.379 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.091 -10.346 4.429 1.00 0.00 C ATOM 525 CZ TYR A 34 0.969 -11.270 4.951 1.00 0.00 C ATOM 526 OH TYR A 34 1.733 -10.944 6.051 1.00 0.00 O ATOM 0 H TYR A 34 -1.163 -10.042 0.248 1.00 0.00 H new ATOM 0 HA TYR A 34 0.228 -12.639 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.330 -11.687 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.725 -13.330 1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.417 -13.821 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.363 -9.949 2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.776 -13.241 4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.002 -9.368 4.879 1.00 0.00 H new ATOM 0 HH TYR A 34 1.530 -10.027 6.330 1.00 0.00 H new ATOM 536 N HIS A 35 -1.514 -13.900 -1.193 1.00 0.00 N ATOM 537 CA HIS A 35 -2.264 -14.498 -2.297 1.00 0.00 C ATOM 538 C HIS A 35 -3.754 -14.520 -1.969 1.00 0.00 C ATOM 539 O HIS A 35 -4.598 -14.691 -2.845 1.00 0.00 O ATOM 540 CB HIS A 35 -1.789 -15.930 -2.587 1.00 0.00 C ATOM 541 CG HIS A 35 -0.300 -16.120 -2.585 1.00 0.00 C ATOM 542 ND1 HIS A 35 0.565 -15.430 -3.409 1.00 0.00 N ATOM 543 CD2 HIS A 35 0.476 -16.933 -1.832 1.00 0.00 C ATOM 544 CE1 HIS A 35 1.803 -15.814 -3.160 1.00 0.00 C ATOM 545 NE2 HIS A 35 1.780 -16.724 -2.205 1.00 0.00 N ATOM 0 H HIS A 35 -0.970 -14.563 -0.641 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.089 -13.888 -3.183 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.226 -16.598 -1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.177 -16.235 -3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.132 -17.622 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.688 -15.444 -3.656 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.595 -17.194 -1.810 1.00 0.00 H new ATOM 554 N SER A 36 -4.064 -14.338 -0.694 1.00 0.00 N ATOM 555 CA SER A 36 -5.437 -14.377 -0.215 1.00 0.00 C ATOM 556 C SER A 36 -6.079 -12.985 -0.260 1.00 0.00 C ATOM 557 O SER A 36 -5.688 -12.137 -1.064 1.00 0.00 O ATOM 558 CB SER A 36 -5.451 -14.926 1.211 1.00 0.00 C ATOM 559 OG SER A 36 -4.750 -16.157 1.284 1.00 0.00 O ATOM 0 H SER A 36 -3.373 -14.160 0.035 1.00 0.00 H new ATOM 0 HA SER A 36 -6.021 -15.028 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.997 -14.203 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.480 -15.068 1.541 1.00 0.00 H new ATOM 0 HG SER A 36 -4.769 -16.490 2.205 1.00 0.00 H new ATOM 565 N ASP A 37 -7.056 -12.761 0.615 1.00 0.00 N ATOM 566 CA ASP A 37 -7.827 -11.517 0.640 1.00 0.00 C ATOM 567 C ASP A 37 -7.133 -10.441 1.475 1.00 0.00 C ATOM 568 O ASP A 37 -7.642 -9.330 1.623 1.00 0.00 O ATOM 569 CB ASP A 37 -9.212 -11.788 1.232 1.00 0.00 C ATOM 570 CG ASP A 37 -9.134 -12.191 2.693 1.00 0.00 C ATOM 571 OD1 ASP A 37 -8.620 -13.295 2.982 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.572 -11.406 3.557 1.00 0.00 O ATOM 0 H ASP A 37 -7.337 -13.435 1.327 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.912 -11.156 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.830 -10.895 1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.702 -12.578 0.663 1.00 0.00 H new ATOM 577 N GLN A 38 -5.974 -10.776 2.018 1.00 0.00 N ATOM 578 CA GLN A 38 -5.262 -9.873 2.911 1.00 0.00 C ATOM 579 C GLN A 38 -4.535 -8.795 2.112 1.00 0.00 C ATOM 580 O GLN A 38 -3.492 -9.053 1.504 1.00 0.00 O ATOM 581 CB GLN A 38 -4.274 -10.668 3.765 1.00 0.00 C ATOM 582 CG GLN A 38 -4.124 -10.144 5.184 1.00 0.00 C ATOM 583 CD GLN A 38 -3.230 -11.031 6.028 1.00 0.00 C ATOM 584 OE1 GLN A 38 -3.111 -12.229 5.777 1.00 0.00 O ATOM 585 NE2 GLN A 38 -2.626 -10.460 7.054 1.00 0.00 N ATOM 0 H GLN A 38 -5.505 -11.667 1.857 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.980 -9.381 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.598 -11.708 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.298 -10.657 3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.711 -9.136 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.107 -10.073 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.750 -9.463 7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.035 -11.016 7.672 1.00 0.00 H new ATOM 594 N VAL A 39 -5.105 -7.596 2.096 1.00 0.00 N ATOM 595 CA VAL A 39 -4.536 -6.480 1.350 1.00 0.00 C ATOM 596 C VAL A 39 -4.176 -5.324 2.280 1.00 0.00 C ATOM 597 O VAL A 39 -4.724 -5.204 3.377 1.00 0.00 O ATOM 598 CB VAL A 39 -5.505 -5.974 0.255 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.717 -7.039 -0.810 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.838 -5.552 0.861 1.00 0.00 C ATOM 0 H VAL A 39 -5.966 -7.371 2.594 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.630 -6.850 0.870 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.054 -5.101 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.402 -6.662 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.762 -7.286 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.140 -7.933 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.502 -5.200 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.294 -6.404 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.673 -4.750 1.580 1.00 0.00 H new ATOM 610 N PHE A 40 -3.248 -4.483 1.839 1.00 0.00 N ATOM 611 CA PHE A 40 -2.804 -3.336 2.624 1.00 0.00 C ATOM 612 C PHE A 40 -2.710 -2.101 1.738 1.00 0.00 C ATOM 613 O PHE A 40 -2.203 -2.168 0.621 1.00 0.00 O ATOM 614 CB PHE A 40 -1.442 -3.609 3.275 1.00 0.00 C ATOM 615 CG PHE A 40 -1.474 -4.655 4.352 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.284 -5.992 4.045 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.689 -4.299 5.673 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.309 -6.954 5.034 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.713 -5.257 6.667 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.524 -6.586 6.347 1.00 0.00 C ATOM 0 H PHE A 40 -2.785 -4.575 0.935 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.536 -3.162 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.738 -3.920 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.061 -2.679 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.114 -6.285 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.840 -3.261 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.161 -7.993 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.880 -4.967 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.544 -7.337 7.123 1.00 0.00 H new ATOM 630 N ALA A 41 -3.207 -0.976 2.230 1.00 0.00 N ATOM 631 CA ALA A 41 -3.157 0.263 1.477 1.00 0.00 C ATOM 632 C ALA A 41 -2.391 1.331 2.243 1.00 0.00 C ATOM 633 O ALA A 41 -2.619 1.538 3.436 1.00 0.00 O ATOM 634 CB ALA A 41 -4.561 0.744 1.153 1.00 0.00 C ATOM 0 H ALA A 41 -3.648 -0.898 3.146 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.631 0.073 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.506 1.674 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.076 -0.011 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.110 0.914 2.079 1.00 0.00 H new ATOM 640 N ILE A 42 -1.472 1.987 1.560 1.00 0.00 N ATOM 641 CA ILE A 42 -0.690 3.065 2.148 1.00 0.00 C ATOM 642 C ILE A 42 -0.554 4.205 1.147 1.00 0.00 C ATOM 643 O ILE A 42 -1.062 4.113 0.029 1.00 0.00 O ATOM 644 CB ILE A 42 0.720 2.593 2.576 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.451 1.936 1.399 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.631 1.636 3.760 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.878 1.536 1.713 1.00 0.00 C ATOM 0 H ILE A 42 -1.245 1.791 0.585 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.217 3.403 3.040 1.00 0.00 H new ATOM 0 HB ILE A 42 1.293 3.466 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.896 1.052 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.454 2.625 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.633 1.316 4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.158 2.142 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.038 0.765 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.330 1.078 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.450 2.420 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.883 0.822 2.536 1.00 0.00 H new ATOM 659 N SER A 43 0.109 5.279 1.545 1.00 0.00 N ATOM 660 CA SER A 43 0.370 6.385 0.639 1.00 0.00 C ATOM 661 C SER A 43 1.352 5.938 -0.445 1.00 0.00 C ATOM 662 O SER A 43 2.369 5.319 -0.141 1.00 0.00 O ATOM 663 CB SER A 43 0.940 7.569 1.424 1.00 0.00 C ATOM 664 OG SER A 43 0.194 7.795 2.614 1.00 0.00 O ATOM 0 H SER A 43 0.476 5.408 2.488 1.00 0.00 H new ATOM 0 HA SER A 43 -0.560 6.697 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.983 7.376 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.922 8.465 0.803 1.00 0.00 H new ATOM 0 HG SER A 43 0.471 8.644 3.018 1.00 0.00 H new ATOM 670 N ASN A 44 1.041 6.231 -1.704 1.00 0.00 N ATOM 671 CA ASN A 44 1.883 5.785 -2.816 1.00 0.00 C ATOM 672 C ASN A 44 3.080 6.710 -2.998 1.00 0.00 C ATOM 673 O ASN A 44 4.059 6.354 -3.653 1.00 0.00 O ATOM 674 CB ASN A 44 1.085 5.703 -4.126 1.00 0.00 C ATOM 675 CG ASN A 44 0.693 7.061 -4.686 1.00 0.00 C ATOM 676 OD1 ASN A 44 0.485 8.018 -3.946 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.580 7.146 -6.005 1.00 0.00 N ATOM 0 H ASN A 44 0.221 6.770 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 44 2.242 4.786 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.677 5.170 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.183 5.115 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.312 8.030 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.761 6.328 -6.586 1.00 0.00 H new ATOM 684 N ILE A 45 2.983 7.894 -2.419 1.00 0.00 N ATOM 685 CA ILE A 45 4.051 8.875 -2.474 1.00 0.00 C ATOM 686 C ILE A 45 4.663 9.057 -1.091 1.00 0.00 C ATOM 687 O ILE A 45 3.977 9.461 -0.148 1.00 0.00 O ATOM 688 CB ILE A 45 3.532 10.240 -2.986 1.00 0.00 C ATOM 689 CG1 ILE A 45 3.081 10.121 -4.445 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.597 11.323 -2.835 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.512 11.401 -5.016 1.00 0.00 C ATOM 0 H ILE A 45 2.162 8.202 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 45 4.807 8.508 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 45 2.674 10.531 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.930 9.809 -5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.329 9.335 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.206 12.272 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.866 11.424 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.480 11.047 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.215 11.237 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.642 11.704 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.268 12.185 -4.975 1.00 0.00 H new ATOM 703 N ASP A 46 5.936 8.728 -0.969 1.00 0.00 N ATOM 704 CA ASP A 46 6.669 8.940 0.275 1.00 0.00 C ATOM 705 C ASP A 46 6.904 10.431 0.509 1.00 0.00 C ATOM 706 O ASP A 46 7.302 11.160 -0.399 1.00 0.00 O ATOM 707 CB ASP A 46 7.990 8.163 0.271 1.00 0.00 C ATOM 708 CG ASP A 46 8.598 8.035 -1.112 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.089 7.228 -1.916 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.577 8.738 -1.409 1.00 0.00 O ATOM 0 H ASP A 46 6.490 8.311 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 46 6.066 8.560 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.701 8.662 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.821 7.167 0.681 1.00 0.00 H new ATOM 715 N PRO A 47 6.645 10.898 1.743 1.00 0.00 N ATOM 716 CA PRO A 47 6.612 12.329 2.077 1.00 0.00 C ATOM 717 C PRO A 47 7.970 13.028 2.002 1.00 0.00 C ATOM 718 O PRO A 47 8.095 14.090 1.387 1.00 0.00 O ATOM 719 CB PRO A 47 6.091 12.355 3.524 1.00 0.00 C ATOM 720 CG PRO A 47 5.553 10.989 3.783 1.00 0.00 C ATOM 721 CD PRO A 47 6.354 10.065 2.916 1.00 0.00 C ATOM 0 HA PRO A 47 5.994 12.869 1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.890 12.600 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.316 13.111 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.652 10.722 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.492 10.933 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.265 9.732 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.791 9.171 2.648 1.00 0.00 H new ATOM 729 N PHE A 48 8.980 12.449 2.632 1.00 0.00 N ATOM 730 CA PHE A 48 10.278 13.103 2.731 1.00 0.00 C ATOM 731 C PHE A 48 11.169 12.690 1.568 1.00 0.00 C ATOM 732 O PHE A 48 11.895 13.509 0.998 1.00 0.00 O ATOM 733 CB PHE A 48 10.945 12.763 4.070 1.00 0.00 C ATOM 734 CG PHE A 48 12.234 13.497 4.316 1.00 0.00 C ATOM 735 CD1 PHE A 48 12.226 14.794 4.806 1.00 0.00 C ATOM 736 CD2 PHE A 48 13.453 12.891 4.055 1.00 0.00 C ATOM 737 CE1 PHE A 48 13.408 15.470 5.033 1.00 0.00 C ATOM 738 CE2 PHE A 48 14.637 13.563 4.278 1.00 0.00 C ATOM 739 CZ PHE A 48 14.615 14.856 4.769 1.00 0.00 C ATOM 0 H PHE A 48 8.929 11.534 3.080 1.00 0.00 H new ATOM 0 HA PHE A 48 10.130 14.182 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.250 12.990 4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.137 11.691 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.284 15.281 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.476 11.881 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.388 16.479 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 48 15.580 13.080 4.069 1.00 0.00 H new ATOM 0 HZ PHE A 48 15.541 15.384 4.945 1.00 0.00 H new ATOM 749 N PHE A 49 11.095 11.418 1.215 1.00 0.00 N ATOM 750 CA PHE A 49 11.916 10.871 0.144 1.00 0.00 C ATOM 751 C PHE A 49 11.386 11.330 -1.221 1.00 0.00 C ATOM 752 O PHE A 49 12.152 11.478 -2.178 1.00 0.00 O ATOM 753 CB PHE A 49 11.930 9.347 0.252 1.00 0.00 C ATOM 754 CG PHE A 49 13.144 8.697 -0.340 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.389 8.874 0.241 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.038 7.891 -1.459 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.506 8.261 -0.286 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.153 7.277 -1.990 1.00 0.00 C ATOM 759 CZ PHE A 49 15.388 7.461 -1.402 1.00 0.00 C ATOM 0 H PHE A 49 10.472 10.741 1.656 1.00 0.00 H new ATOM 0 HA PHE A 49 12.938 11.237 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.860 9.068 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.043 8.951 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.486 9.499 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.073 7.741 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.472 8.408 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.060 6.652 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.261 6.979 -1.816 1.00 0.00 H new ATOM 769 N GLU A 50 10.076 11.563 -1.286 1.00 0.00 N ATOM 770 CA GLU A 50 9.412 12.130 -2.463 1.00 0.00 C ATOM 771 C GLU A 50 9.587 11.282 -3.721 1.00 0.00 C ATOM 772 O GLU A 50 10.144 11.738 -4.724 1.00 0.00 O ATOM 773 CB GLU A 50 9.874 13.562 -2.729 1.00 0.00 C ATOM 774 CG GLU A 50 9.305 14.576 -1.753 1.00 0.00 C ATOM 775 CD GLU A 50 9.700 15.993 -2.099 1.00 0.00 C ATOM 776 OE1 GLU A 50 9.188 16.531 -3.105 1.00 0.00 O ATOM 777 OE2 GLU A 50 10.540 16.571 -1.379 1.00 0.00 O ATOM 0 H GLU A 50 9.438 11.362 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 50 8.348 12.136 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.962 13.598 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.588 13.845 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.218 14.497 -1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.651 14.341 -0.746 1.00 0.00 H new ATOM 784 N SER A 51 9.123 10.052 -3.655 1.00 0.00 N ATOM 785 CA SER A 51 8.992 9.216 -4.830 1.00 0.00 C ATOM 786 C SER A 51 7.522 9.184 -5.233 1.00 0.00 C ATOM 787 O SER A 51 6.656 9.543 -4.434 1.00 0.00 O ATOM 788 CB SER A 51 9.520 7.818 -4.531 1.00 0.00 C ATOM 789 OG SER A 51 10.740 7.896 -3.811 1.00 0.00 O ATOM 0 H SER A 51 8.827 9.604 -2.788 1.00 0.00 H new ATOM 0 HA SER A 51 9.578 9.617 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.784 7.260 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.674 7.273 -5.462 1.00 0.00 H new ATOM 0 HG SER A 51 10.554 8.128 -2.877 1.00 0.00 H new ATOM 795 N SER A 52 7.232 8.793 -6.460 1.00 0.00 N ATOM 796 CA SER A 52 5.879 8.916 -6.980 1.00 0.00 C ATOM 797 C SER A 52 5.045 7.657 -6.786 1.00 0.00 C ATOM 798 O SER A 52 3.905 7.722 -6.331 1.00 0.00 O ATOM 799 CB SER A 52 5.935 9.298 -8.456 1.00 0.00 C ATOM 800 OG SER A 52 6.933 8.548 -9.131 1.00 0.00 O ATOM 0 H SER A 52 7.906 8.391 -7.111 1.00 0.00 H new ATOM 0 HA SER A 52 5.382 9.700 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.964 9.121 -8.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.145 10.363 -8.553 1.00 0.00 H new ATOM 0 HG SER A 52 6.953 8.806 -10.076 1.00 0.00 H new ATOM 806 N VAL A 53 5.598 6.525 -7.152 1.00 0.00 N ATOM 807 CA VAL A 53 4.847 5.277 -7.109 1.00 0.00 C ATOM 808 C VAL A 53 5.585 4.174 -6.359 1.00 0.00 C ATOM 809 O VAL A 53 6.723 3.830 -6.685 1.00 0.00 O ATOM 810 CB VAL A 53 4.483 4.775 -8.529 1.00 0.00 C ATOM 811 CG1 VAL A 53 3.414 5.658 -9.156 1.00 0.00 C ATOM 812 CG2 VAL A 53 5.713 4.723 -9.424 1.00 0.00 C ATOM 0 H VAL A 53 6.559 6.434 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 53 3.931 5.506 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 53 4.087 3.764 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.174 5.287 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.517 5.640 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.784 6.681 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.428 4.367 -10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.145 5.720 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.448 4.044 -8.993 1.00 0.00 H new ATOM 822 N LEU A 54 4.925 3.625 -5.352 1.00 0.00 N ATOM 823 CA LEU A 54 5.414 2.433 -4.671 1.00 0.00 C ATOM 824 C LEU A 54 4.819 1.187 -5.317 1.00 0.00 C ATOM 825 O LEU A 54 5.336 0.081 -5.177 1.00 0.00 O ATOM 826 CB LEU A 54 5.045 2.474 -3.188 1.00 0.00 C ATOM 827 CG LEU A 54 5.486 3.732 -2.440 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.088 3.646 -0.977 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.988 3.937 -2.572 1.00 0.00 C ATOM 0 H LEU A 54 4.045 3.987 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 54 6.500 2.402 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.963 2.377 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.485 1.606 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 54 4.983 4.590 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.409 4.549 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.005 3.549 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.564 2.778 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.281 4.838 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.511 3.077 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.250 4.043 -3.625 1.00 0.00 H new ATOM 841 N SER A 55 3.723 1.393 -6.040 1.00 0.00 N ATOM 842 CA SER A 55 2.946 0.307 -6.626 1.00 0.00 C ATOM 843 C SER A 55 3.743 -0.469 -7.677 1.00 0.00 C ATOM 844 O SER A 55 3.506 -1.656 -7.898 1.00 0.00 O ATOM 845 CB SER A 55 1.677 0.890 -7.244 1.00 0.00 C ATOM 846 OG SER A 55 1.051 1.784 -6.338 1.00 0.00 O ATOM 0 H SER A 55 3.348 2.321 -6.237 1.00 0.00 H new ATOM 0 HA SER A 55 2.691 -0.401 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.922 1.412 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.989 0.086 -7.505 1.00 0.00 H new ATOM 0 HG SER A 55 0.608 2.500 -6.839 1.00 0.00 H new ATOM 852 N ARG A 56 4.701 0.196 -8.305 1.00 0.00 N ATOM 853 CA ARG A 56 5.513 -0.424 -9.347 1.00 0.00 C ATOM 854 C ARG A 56 6.783 -1.028 -8.755 1.00 0.00 C ATOM 855 O ARG A 56 7.855 -0.945 -9.348 1.00 0.00 O ATOM 856 CB ARG A 56 5.861 0.609 -10.423 1.00 0.00 C ATOM 857 CG ARG A 56 4.679 0.993 -11.301 1.00 0.00 C ATOM 858 CD ARG A 56 4.745 0.327 -12.671 1.00 0.00 C ATOM 859 NE ARG A 56 4.808 -1.136 -12.594 1.00 0.00 N ATOM 860 CZ ARG A 56 4.900 -1.932 -13.662 1.00 0.00 C ATOM 861 NH1 ARG A 56 4.873 -1.410 -14.884 1.00 0.00 N ATOM 862 NH2 ARG A 56 5.009 -3.245 -13.504 1.00 0.00 N ATOM 0 H ARG A 56 4.938 1.169 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 56 4.937 -1.229 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.252 1.505 -9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.657 0.212 -11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.751 0.709 -10.804 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.656 2.076 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.870 0.617 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.620 0.695 -13.206 1.00 0.00 H new ATOM 0 HE ARG A 56 4.780 -1.570 -11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.782 -0.401 -15.006 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.943 -2.018 -15.700 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.022 -3.646 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.079 -3.853 -14.320 1.00 0.00 H new ATOM 876 N GLY A 57 6.646 -1.660 -7.599 1.00 0.00 N ATOM 877 CA GLY A 57 7.781 -2.264 -6.938 1.00 0.00 C ATOM 878 C GLY A 57 7.461 -3.656 -6.435 1.00 0.00 C ATOM 879 O GLY A 57 6.289 -4.041 -6.368 1.00 0.00 O ATOM 0 H GLY A 57 5.760 -1.765 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.622 -2.311 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.091 -1.637 -6.102 1.00 0.00 H new ATOM 883 N LEU A 58 8.491 -4.420 -6.101 1.00 0.00 N ATOM 884 CA LEU A 58 8.310 -5.808 -5.690 1.00 0.00 C ATOM 885 C LEU A 58 8.146 -5.910 -4.179 1.00 0.00 C ATOM 886 O LEU A 58 8.655 -5.076 -3.428 1.00 0.00 O ATOM 887 CB LEU A 58 9.484 -6.689 -6.149 1.00 0.00 C ATOM 888 CG LEU A 58 10.824 -6.465 -5.432 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.752 -7.647 -5.665 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.494 -5.183 -5.909 1.00 0.00 C ATOM 0 H LEU A 58 9.461 -4.104 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 58 7.401 -6.171 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.198 -7.733 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.636 -6.528 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 58 10.621 -6.372 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.698 -7.474 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.289 -8.555 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.935 -7.761 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.440 -5.050 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.679 -5.246 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.843 -4.334 -5.703 1.00 0.00 H new ATOM 902 N ILE A 59 7.433 -6.935 -3.746 1.00 0.00 N ATOM 903 CA ILE A 59 7.212 -7.184 -2.332 1.00 0.00 C ATOM 904 C ILE A 59 8.052 -8.376 -1.889 1.00 0.00 C ATOM 905 O ILE A 59 7.912 -9.476 -2.424 1.00 0.00 O ATOM 906 CB ILE A 59 5.721 -7.464 -2.041 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.855 -6.307 -2.556 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.498 -7.678 -0.549 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.366 -6.554 -2.437 1.00 0.00 C ATOM 0 H ILE A 59 6.992 -7.617 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 59 7.506 -6.294 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 59 5.429 -8.375 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.108 -5.403 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.100 -6.121 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.442 -7.874 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.090 -8.529 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.803 -6.785 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.822 -5.691 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.097 -7.439 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.106 -6.710 -1.390 1.00 0.00 H new ATOM 921 N ALA A 60 8.932 -8.155 -0.925 1.00 0.00 N ATOM 922 CA ALA A 60 9.844 -9.196 -0.480 1.00 0.00 C ATOM 923 C ALA A 60 9.709 -9.444 1.016 1.00 0.00 C ATOM 924 O ALA A 60 9.328 -8.549 1.773 1.00 0.00 O ATOM 925 CB ALA A 60 11.275 -8.819 -0.826 1.00 0.00 C ATOM 0 H ALA A 60 9.034 -7.265 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 60 9.584 -10.119 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.950 -9.605 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.369 -8.699 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.534 -7.882 -0.333 1.00 0.00 H new ATOM 931 N GLU A 61 10.018 -10.661 1.434 1.00 0.00 N ATOM 932 CA GLU A 61 9.974 -11.016 2.841 1.00 0.00 C ATOM 933 C GLU A 61 11.286 -10.634 3.513 1.00 0.00 C ATOM 934 O GLU A 61 12.363 -11.024 3.059 1.00 0.00 O ATOM 935 CB GLU A 61 9.728 -12.514 3.011 1.00 0.00 C ATOM 936 CG GLU A 61 9.453 -12.918 4.450 1.00 0.00 C ATOM 937 CD GLU A 61 9.953 -14.308 4.770 1.00 0.00 C ATOM 938 OE1 GLU A 61 9.382 -15.289 4.255 1.00 0.00 O ATOM 939 OE2 GLU A 61 10.931 -14.424 5.539 1.00 0.00 O ATOM 0 H GLU A 61 10.303 -11.421 0.816 1.00 0.00 H new ATOM 0 HA GLU A 61 9.154 -10.471 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.882 -12.809 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.597 -13.062 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.927 -12.202 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.380 -12.870 4.638 1.00 0.00 H new ATOM 946 N HIS A 62 11.196 -9.867 4.587 1.00 0.00 N ATOM 947 CA HIS A 62 12.376 -9.443 5.323 1.00 0.00 C ATOM 948 C HIS A 62 12.778 -10.512 6.342 1.00 0.00 C ATOM 949 O HIS A 62 13.733 -11.262 6.125 1.00 0.00 O ATOM 950 CB HIS A 62 12.093 -8.095 5.997 1.00 0.00 C ATOM 951 CG HIS A 62 13.211 -7.550 6.832 1.00 0.00 C ATOM 952 ND1 HIS A 62 13.001 -7.007 8.079 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.540 -7.438 6.591 1.00 0.00 C ATOM 954 CE1 HIS A 62 14.149 -6.585 8.571 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.099 -6.836 7.692 1.00 0.00 N ATOM 0 H HIS A 62 10.315 -9.524 4.970 1.00 0.00 H new ATOM 0 HA HIS A 62 13.214 -9.316 4.638 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.849 -7.365 5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.209 -8.200 6.626 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.098 -6.941 8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.061 -7.761 5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.288 -6.113 9.532 1.00 0.00 H new ATOM 964 N GLN A 63 12.045 -10.587 7.442 1.00 0.00 N ATOM 965 CA GLN A 63 12.278 -11.604 8.464 1.00 0.00 C ATOM 966 C GLN A 63 10.954 -12.252 8.843 1.00 0.00 C ATOM 967 O GLN A 63 10.855 -12.979 9.830 1.00 0.00 O ATOM 968 CB GLN A 63 12.910 -10.977 9.707 1.00 0.00 C ATOM 969 CG GLN A 63 14.181 -10.193 9.423 1.00 0.00 C ATOM 970 CD GLN A 63 14.700 -9.458 10.640 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.899 -9.235 10.779 1.00 0.00 O ATOM 972 NE2 GLN A 63 13.801 -9.071 11.528 1.00 0.00 N ATOM 0 H GLN A 63 11.276 -9.951 7.654 1.00 0.00 H new ATOM 0 HA GLN A 63 12.958 -12.356 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.183 -10.314 10.177 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.134 -11.765 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.950 -10.875 9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.989 -9.476 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.813 -9.276 11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.095 -8.568 12.365 1.00 0.00 H new ATOM 981 N GLY A 64 9.941 -11.970 8.040 1.00 0.00 N ATOM 982 CA GLY A 64 8.604 -12.449 8.311 1.00 0.00 C ATOM 983 C GLY A 64 7.572 -11.436 7.879 1.00 0.00 C ATOM 984 O GLY A 64 6.462 -11.788 7.480 1.00 0.00 O ATOM 0 H GLY A 64 10.025 -11.409 7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.437 -13.390 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.495 -12.653 9.376 1.00 0.00 H new ATOM 988 N GLU A 65 7.955 -10.170 7.946 1.00 0.00 N ATOM 989 CA GLU A 65 7.106 -9.082 7.494 1.00 0.00 C ATOM 990 C GLU A 65 7.409 -8.765 6.035 1.00 0.00 C ATOM 991 O GLU A 65 8.541 -8.942 5.573 1.00 0.00 O ATOM 992 CB GLU A 65 7.285 -7.825 8.367 1.00 0.00 C ATOM 993 CG GLU A 65 8.373 -7.932 9.437 1.00 0.00 C ATOM 994 CD GLU A 65 9.781 -7.898 8.874 1.00 0.00 C ATOM 995 OE1 GLU A 65 10.280 -8.957 8.452 1.00 0.00 O ATOM 996 OE2 GLU A 65 10.396 -6.810 8.857 1.00 0.00 O ATOM 0 H GLU A 65 8.858 -9.870 8.313 1.00 0.00 H new ATOM 0 HA GLU A 65 6.067 -9.399 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.516 -6.980 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.336 -7.602 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.254 -7.114 10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.235 -8.859 9.993 1.00 0.00 H new ATOM 1003 N LEU A 66 6.396 -8.312 5.309 1.00 0.00 N ATOM 1004 CA LEU A 66 6.540 -8.033 3.889 1.00 0.00 C ATOM 1005 C LEU A 66 6.891 -6.571 3.650 1.00 0.00 C ATOM 1006 O LEU A 66 6.170 -5.662 4.077 1.00 0.00 O ATOM 1007 CB LEU A 66 5.254 -8.401 3.145 1.00 0.00 C ATOM 1008 CG LEU A 66 4.874 -9.884 3.207 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.544 -10.127 2.517 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.960 -10.742 2.573 1.00 0.00 C ATOM 0 H LEU A 66 5.464 -8.130 5.682 1.00 0.00 H new ATOM 0 HA LEU A 66 7.358 -8.642 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.433 -7.813 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.361 -8.112 2.100 1.00 0.00 H new ATOM 0 HG LEU A 66 4.776 -10.165 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.293 -11.186 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.766 -9.544 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.616 -9.826 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.672 -11.792 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.089 -10.454 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.898 -10.595 3.108 1.00 0.00 H new ATOM 1022 N TRP A 67 8.008 -6.359 2.977 1.00 0.00 N ATOM 1023 CA TRP A 67 8.459 -5.026 2.621 1.00 0.00 C ATOM 1024 C TRP A 67 8.378 -4.835 1.113 1.00 0.00 C ATOM 1025 O TRP A 67 8.816 -5.697 0.348 1.00 0.00 O ATOM 1026 CB TRP A 67 9.904 -4.798 3.078 1.00 0.00 C ATOM 1027 CG TRP A 67 10.077 -4.672 4.564 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.872 -5.641 5.503 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.514 -3.509 5.277 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.154 -5.152 6.756 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.549 -3.844 6.643 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.877 -2.217 4.892 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.936 -2.933 7.625 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 11.259 -1.315 5.865 1.00 0.00 C ATOM 1035 CH2 TRP A 67 11.287 -1.677 7.218 1.00 0.00 C ATOM 0 H TRP A 67 8.627 -7.106 2.662 1.00 0.00 H new ATOM 0 HA TRP A 67 7.812 -4.306 3.121 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.518 -5.625 2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.283 -3.893 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.537 -6.646 5.292 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.081 -5.677 7.628 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.859 -1.928 3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.957 -3.210 8.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.541 -0.313 5.578 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.592 -0.948 7.954 1.00 0.00 H new ATOM 1046 N VAL A 68 7.817 -3.719 0.690 1.00 0.00 N ATOM 1047 CA VAL A 68 7.762 -3.394 -0.722 1.00 0.00 C ATOM 1048 C VAL A 68 8.920 -2.470 -1.078 1.00 0.00 C ATOM 1049 O VAL A 68 9.254 -1.558 -0.317 1.00 0.00 O ATOM 1050 CB VAL A 68 6.408 -2.749 -1.116 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.190 -1.432 -0.386 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.320 -2.550 -2.622 1.00 0.00 C ATOM 0 H VAL A 68 7.393 -3.023 1.303 1.00 0.00 H new ATOM 0 HA VAL A 68 7.849 -4.322 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 68 5.615 -3.434 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.232 -1.005 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.190 -1.608 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.991 -0.738 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.361 -2.096 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.128 -1.897 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.407 -3.515 -3.122 1.00 0.00 H new ATOM 1062 N ALA A 69 9.555 -2.733 -2.207 1.00 0.00 N ATOM 1063 CA ALA A 69 10.699 -1.950 -2.633 1.00 0.00 C ATOM 1064 C ALA A 69 10.531 -1.479 -4.069 1.00 0.00 C ATOM 1065 O ALA A 69 10.423 -2.289 -4.993 1.00 0.00 O ATOM 1066 CB ALA A 69 11.980 -2.759 -2.486 1.00 0.00 C ATOM 0 H ALA A 69 9.296 -3.485 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 69 10.766 -1.070 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.829 -2.157 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.113 -3.043 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.916 -3.657 -3.101 1.00 0.00 H new ATOM 1072 N SER A 70 10.491 -0.170 -4.248 1.00 0.00 N ATOM 1073 CA SER A 70 10.395 0.414 -5.574 1.00 0.00 C ATOM 1074 C SER A 70 11.781 0.483 -6.215 1.00 0.00 C ATOM 1075 O SER A 70 12.763 0.839 -5.556 1.00 0.00 O ATOM 1076 CB SER A 70 9.776 1.808 -5.495 1.00 0.00 C ATOM 1077 OG SER A 70 8.549 1.782 -4.789 1.00 0.00 O ATOM 0 H SER A 70 10.524 0.510 -3.489 1.00 0.00 H new ATOM 0 HA SER A 70 9.753 -0.215 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.469 2.489 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.612 2.194 -6.501 1.00 0.00 H new ATOM 0 HG SER A 70 8.659 2.232 -3.926 1.00 0.00 H new ATOM 1083 N PRO A 71 11.872 0.156 -7.515 1.00 0.00 N ATOM 1084 CA PRO A 71 13.144 0.084 -8.249 1.00 0.00 C ATOM 1085 C PRO A 71 13.757 1.457 -8.543 1.00 0.00 C ATOM 1086 O PRO A 71 14.576 1.597 -9.448 1.00 0.00 O ATOM 1087 CB PRO A 71 12.770 -0.616 -9.567 1.00 0.00 C ATOM 1088 CG PRO A 71 11.368 -1.100 -9.390 1.00 0.00 C ATOM 1089 CD PRO A 71 10.739 -0.192 -8.377 1.00 0.00 C ATOM 0 HA PRO A 71 13.900 -0.439 -7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.842 0.072 -10.409 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.446 -1.445 -9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.823 -1.068 -10.333 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.353 -2.135 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.297 0.689 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.945 -0.692 -7.822 1.00 0.00 H new ATOM 1097 N LEU A 72 13.370 2.463 -7.769 1.00 0.00 N ATOM 1098 CA LEU A 72 13.912 3.801 -7.942 1.00 0.00 C ATOM 1099 C LEU A 72 15.221 3.944 -7.170 1.00 0.00 C ATOM 1100 O LEU A 72 16.301 3.754 -7.725 1.00 0.00 O ATOM 1101 CB LEU A 72 12.903 4.860 -7.482 1.00 0.00 C ATOM 1102 CG LEU A 72 11.574 4.871 -8.245 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.654 5.954 -7.697 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.813 5.075 -9.736 1.00 0.00 C ATOM 0 H LEU A 72 12.685 2.377 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 72 14.111 3.957 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.694 4.704 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.365 5.843 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 72 11.090 3.905 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.715 5.948 -8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.455 5.763 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.133 6.927 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.857 5.080 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.320 6.027 -9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.433 4.265 -10.119 1.00 0.00 H new ATOM 1116 N LYS A 73 15.118 4.251 -5.884 1.00 0.00 N ATOM 1117 CA LYS A 73 16.296 4.400 -5.037 1.00 0.00 C ATOM 1118 C LYS A 73 16.359 3.287 -4.000 1.00 0.00 C ATOM 1119 O LYS A 73 16.947 3.456 -2.931 1.00 0.00 O ATOM 1120 CB LYS A 73 16.294 5.764 -4.347 1.00 0.00 C ATOM 1121 CG LYS A 73 16.666 6.917 -5.266 1.00 0.00 C ATOM 1122 CD LYS A 73 16.671 8.242 -4.522 1.00 0.00 C ATOM 1123 CE LYS A 73 17.222 9.369 -5.380 1.00 0.00 C ATOM 1124 NZ LYS A 73 18.671 9.197 -5.663 1.00 0.00 N ATOM 0 H LYS A 73 14.231 4.402 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 73 17.179 4.332 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.304 5.949 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.992 5.739 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.651 6.737 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.959 6.966 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.656 8.487 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.270 8.148 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.672 9.411 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.062 10.321 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.059 10.085 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.169 8.946 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.800 8.439 -6.363 1.00 0.00 H new ATOM 1138 N LYS A 74 15.759 2.144 -4.338 1.00 0.00 N ATOM 1139 CA LYS A 74 15.761 0.958 -3.473 1.00 0.00 C ATOM 1140 C LYS A 74 15.017 1.240 -2.164 1.00 0.00 C ATOM 1141 O LYS A 74 15.324 0.655 -1.129 1.00 0.00 O ATOM 1142 CB LYS A 74 17.199 0.498 -3.169 1.00 0.00 C ATOM 1143 CG LYS A 74 18.128 0.474 -4.380 1.00 0.00 C ATOM 1144 CD LYS A 74 17.656 -0.484 -5.465 1.00 0.00 C ATOM 1145 CE LYS A 74 18.584 -0.431 -6.672 1.00 0.00 C ATOM 1146 NZ LYS A 74 18.163 -1.354 -7.759 1.00 0.00 N ATOM 0 H LYS A 74 15.258 2.012 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 74 15.246 0.159 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.625 1.158 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.163 -0.501 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.202 1.479 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.129 0.187 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.622 -1.500 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.641 -0.226 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.615 0.588 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.597 -0.684 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.828 -1.279 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.159 -2.331 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.207 -1.099 -8.080 1.00 0.00 H new ATOM 1160 N GLN A 75 14.027 2.126 -2.238 1.00 0.00 N ATOM 1161 CA GLN A 75 13.245 2.522 -1.067 1.00 0.00 C ATOM 1162 C GLN A 75 12.470 1.336 -0.497 1.00 0.00 C ATOM 1163 O GLN A 75 11.957 0.499 -1.245 1.00 0.00 O ATOM 1164 CB GLN A 75 12.291 3.658 -1.442 1.00 0.00 C ATOM 1165 CG GLN A 75 11.458 3.360 -2.679 1.00 0.00 C ATOM 1166 CD GLN A 75 10.588 4.523 -3.106 1.00 0.00 C ATOM 1167 OE1 GLN A 75 10.315 4.696 -4.294 1.00 0.00 O ATOM 1168 NE2 GLN A 75 10.147 5.322 -2.148 1.00 0.00 N ATOM 0 H GLN A 75 13.745 2.587 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 75 13.930 2.872 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.624 3.855 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.868 4.567 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.122 3.091 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 75 10.826 2.494 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.399 5.140 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.555 6.120 -2.381 1.00 0.00 H new ATOM 1177 N ARG A 76 12.384 1.276 0.825 1.00 0.00 N ATOM 1178 CA ARG A 76 11.822 0.118 1.510 1.00 0.00 C ATOM 1179 C ARG A 76 10.658 0.513 2.418 1.00 0.00 C ATOM 1180 O ARG A 76 10.818 1.323 3.333 1.00 0.00 O ATOM 1181 CB ARG A 76 12.917 -0.556 2.334 1.00 0.00 C ATOM 1182 CG ARG A 76 14.089 -1.045 1.498 1.00 0.00 C ATOM 1183 CD ARG A 76 15.330 -1.258 2.346 1.00 0.00 C ATOM 1184 NE ARG A 76 15.801 -0.010 2.945 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.834 0.081 3.776 1.00 0.00 C ATOM 1186 NH1 ARG A 76 17.543 -0.996 4.099 1.00 0.00 N ATOM 1187 NH2 ARG A 76 17.163 1.259 4.280 1.00 0.00 N ATOM 0 H ARG A 76 12.698 2.020 1.448 1.00 0.00 H new ATOM 0 HA ARG A 76 11.437 -0.573 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.283 0.147 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.488 -1.401 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.820 -1.979 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.304 -0.320 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.112 -1.979 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.121 -1.687 1.731 1.00 0.00 H new ATOM 0 HE ARG A 76 15.303 0.848 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.296 -1.905 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.334 -0.913 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.625 2.089 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.955 1.337 4.919 1.00 0.00 H new ATOM 1201 N PHE A 77 9.490 -0.068 2.168 1.00 0.00 N ATOM 1202 CA PHE A 77 8.302 0.216 2.966 1.00 0.00 C ATOM 1203 C PHE A 77 7.723 -1.061 3.566 1.00 0.00 C ATOM 1204 O PHE A 77 7.533 -2.058 2.867 1.00 0.00 O ATOM 1205 CB PHE A 77 7.232 0.908 2.115 1.00 0.00 C ATOM 1206 CG PHE A 77 7.584 2.311 1.714 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.534 2.551 0.734 1.00 0.00 C ATOM 1208 CD2 PHE A 77 6.962 3.390 2.319 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.857 3.840 0.368 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.282 4.683 1.955 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.230 4.907 0.978 1.00 0.00 C ATOM 0 H PHE A 77 9.340 -0.741 1.416 1.00 0.00 H new ATOM 0 HA PHE A 77 8.604 0.880 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.059 0.317 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.295 0.924 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.026 1.719 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.219 3.219 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.600 4.015 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.791 5.517 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.481 5.917 0.691 1.00 0.00 H new ATOM 1221 N ARG A 78 7.431 -1.022 4.859 1.00 0.00 N ATOM 1222 CA ARG A 78 6.844 -2.159 5.552 1.00 0.00 C ATOM 1223 C ARG A 78 5.323 -2.101 5.458 1.00 0.00 C ATOM 1224 O ARG A 78 4.678 -1.315 6.157 1.00 0.00 O ATOM 1225 CB ARG A 78 7.282 -2.177 7.020 1.00 0.00 C ATOM 1226 CG ARG A 78 6.723 -3.348 7.812 1.00 0.00 C ATOM 1227 CD ARG A 78 7.192 -3.322 9.258 1.00 0.00 C ATOM 1228 NE ARG A 78 6.780 -2.103 9.958 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.370 -2.080 11.230 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.244 -3.214 11.907 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.070 -0.926 11.822 1.00 0.00 N ATOM 0 H ARG A 78 7.593 -0.208 5.452 1.00 0.00 H new ATOM 0 HA ARG A 78 7.193 -3.075 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.371 -2.207 7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.969 -1.247 7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.634 -3.321 7.782 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.032 -4.284 7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.793 -4.191 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.279 -3.404 9.286 1.00 0.00 H new ATOM 0 HE ARG A 78 6.808 -1.221 9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.460 -4.103 11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.931 -3.196 12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.152 -0.051 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.758 -0.917 12.793 1.00 0.00 H new ATOM 1245 N LEU A 79 4.761 -2.950 4.605 1.00 0.00 N ATOM 1246 CA LEU A 79 3.325 -2.943 4.314 1.00 0.00 C ATOM 1247 C LEU A 79 2.484 -3.246 5.547 1.00 0.00 C ATOM 1248 O LEU A 79 1.314 -2.872 5.613 1.00 0.00 O ATOM 1249 CB LEU A 79 3.006 -3.971 3.226 1.00 0.00 C ATOM 1250 CG LEU A 79 3.624 -3.683 1.862 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.371 -4.841 0.912 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.059 -2.394 1.288 1.00 0.00 C ATOM 0 H LEU A 79 5.283 -3.662 4.095 1.00 0.00 H new ATOM 0 HA LEU A 79 3.073 -1.939 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.347 -4.950 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.924 -4.032 3.112 1.00 0.00 H new ATOM 0 HG LEU A 79 4.701 -3.565 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.818 -4.621 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.816 -5.749 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.297 -4.985 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.509 -2.201 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.979 -2.488 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.283 -1.567 1.962 1.00 0.00 H new ATOM 1264 N SER A 80 3.092 -3.909 6.521 1.00 0.00 N ATOM 1265 CA SER A 80 2.377 -4.365 7.703 1.00 0.00 C ATOM 1266 C SER A 80 1.720 -3.197 8.450 1.00 0.00 C ATOM 1267 O SER A 80 0.529 -3.243 8.763 1.00 0.00 O ATOM 1268 CB SER A 80 3.337 -5.123 8.627 1.00 0.00 C ATOM 1269 OG SER A 80 2.638 -5.838 9.626 1.00 0.00 O ATOM 0 H SER A 80 4.085 -4.144 6.514 1.00 0.00 H new ATOM 0 HA SER A 80 1.580 -5.036 7.383 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.941 -5.814 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.025 -4.419 9.096 1.00 0.00 H new ATOM 0 HG SER A 80 3.278 -6.312 10.197 1.00 0.00 H new ATOM 1275 N ASP A 81 2.482 -2.135 8.705 1.00 0.00 N ATOM 1276 CA ASP A 81 1.966 -1.017 9.494 1.00 0.00 C ATOM 1277 C ASP A 81 2.139 0.315 8.759 1.00 0.00 C ATOM 1278 O ASP A 81 1.616 1.340 9.185 1.00 0.00 O ATOM 1279 CB ASP A 81 2.660 -0.974 10.860 1.00 0.00 C ATOM 1280 CG ASP A 81 1.978 -0.039 11.843 1.00 0.00 C ATOM 1281 OD1 ASP A 81 0.833 -0.324 12.245 1.00 0.00 O ATOM 1282 OD2 ASP A 81 2.596 0.975 12.230 1.00 0.00 O ATOM 0 H ASP A 81 3.444 -2.025 8.383 1.00 0.00 H new ATOM 0 HA ASP A 81 0.898 -1.172 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.685 -1.979 11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.695 -0.659 10.726 1.00 0.00 H new ATOM 1287 N GLY A 82 2.861 0.297 7.644 1.00 0.00 N ATOM 1288 CA GLY A 82 3.023 1.507 6.855 1.00 0.00 C ATOM 1289 C GLY A 82 4.305 2.254 7.172 1.00 0.00 C ATOM 1290 O GLY A 82 4.480 3.401 6.763 1.00 0.00 O ATOM 0 H GLY A 82 3.334 -0.527 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.012 1.248 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.172 2.165 7.031 1.00 0.00 H new ATOM 1294 N LEU A 83 5.203 1.611 7.905 1.00 0.00 N ATOM 1295 CA LEU A 83 6.480 2.229 8.239 1.00 0.00 C ATOM 1296 C LEU A 83 7.410 2.227 7.036 1.00 0.00 C ATOM 1297 O LEU A 83 7.525 1.223 6.335 1.00 0.00 O ATOM 1298 CB LEU A 83 7.178 1.495 9.387 1.00 0.00 C ATOM 1299 CG LEU A 83 8.541 2.081 9.771 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.374 3.266 10.708 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.443 1.024 10.387 1.00 0.00 C ATOM 0 H LEU A 83 5.074 0.670 8.277 1.00 0.00 H new ATOM 0 HA LEU A 83 6.264 3.253 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.528 1.512 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.310 0.450 9.108 1.00 0.00 H new ATOM 0 HG LEU A 83 9.021 2.434 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.354 3.666 10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.785 4.040 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.862 2.944 11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.402 1.471 10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.973 0.623 11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.602 0.219 9.670 1.00 0.00 H new ATOM 1313 N CYS A 84 8.074 3.344 6.807 1.00 0.00 N ATOM 1314 CA CYS A 84 9.116 3.411 5.800 1.00 0.00 C ATOM 1315 C CYS A 84 10.461 3.228 6.485 1.00 0.00 C ATOM 1316 O CYS A 84 10.588 3.495 7.676 1.00 0.00 O ATOM 1317 CB CYS A 84 9.065 4.752 5.058 1.00 0.00 C ATOM 1318 SG CYS A 84 10.299 4.920 3.744 1.00 0.00 S ATOM 0 H CYS A 84 7.910 4.219 7.305 1.00 0.00 H new ATOM 0 HA CYS A 84 8.968 2.622 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.072 4.878 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.205 5.558 5.778 1.00 0.00 H new ATOM 0 HG CYS A 84 10.343 6.157 3.345 1.00 0.00 H new ATOM 1324 N MET A 85 11.448 2.737 5.763 1.00 0.00 N ATOM 1325 CA MET A 85 12.780 2.596 6.331 1.00 0.00 C ATOM 1326 C MET A 85 13.514 3.929 6.245 1.00 0.00 C ATOM 1327 O MET A 85 14.145 4.375 7.206 1.00 0.00 O ATOM 1328 CB MET A 85 13.561 1.512 5.593 1.00 0.00 C ATOM 1329 CG MET A 85 14.386 0.621 6.509 1.00 0.00 C ATOM 1330 SD MET A 85 15.586 1.530 7.502 1.00 0.00 S ATOM 1331 CE MET A 85 16.255 0.203 8.498 1.00 0.00 C ATOM 0 H MET A 85 11.359 2.432 4.794 1.00 0.00 H new ATOM 0 HA MET A 85 12.693 2.302 7.377 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.862 0.892 5.031 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.223 1.984 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.716 0.075 7.173 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.911 -0.120 5.906 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.015 0.600 9.170 1.00 0.00 H new ATOM 0 HE2 MET A 85 15.455 -0.252 9.083 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.702 -0.549 7.849 1.00 0.00 H new ATOM 1341 N GLU A 86 13.398 4.572 5.095 1.00 0.00 N ATOM 1342 CA GLU A 86 14.057 5.848 4.848 1.00 0.00 C ATOM 1343 C GLU A 86 13.299 6.986 5.535 1.00 0.00 C ATOM 1344 O GLU A 86 13.894 7.829 6.210 1.00 0.00 O ATOM 1345 CB GLU A 86 14.149 6.109 3.335 1.00 0.00 C ATOM 1346 CG GLU A 86 15.077 5.158 2.578 1.00 0.00 C ATOM 1347 CD GLU A 86 14.638 3.703 2.634 1.00 0.00 C ATOM 1348 OE1 GLU A 86 13.534 3.387 2.143 1.00 0.00 O ATOM 1349 OE2 GLU A 86 15.392 2.874 3.185 1.00 0.00 O ATOM 0 H GLU A 86 12.847 4.228 4.308 1.00 0.00 H new ATOM 0 HA GLU A 86 15.064 5.805 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.149 6.037 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.491 7.132 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.133 5.472 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.083 5.241 2.990 1.00 0.00 H new ATOM 1356 N ASP A 87 11.985 6.987 5.373 1.00 0.00 N ATOM 1357 CA ASP A 87 11.118 8.026 5.935 1.00 0.00 C ATOM 1358 C ASP A 87 10.699 7.688 7.359 1.00 0.00 C ATOM 1359 O ASP A 87 9.819 8.348 7.895 1.00 0.00 O ATOM 1360 CB ASP A 87 9.846 8.215 5.093 1.00 0.00 C ATOM 1361 CG ASP A 87 10.110 8.643 3.664 1.00 0.00 C ATOM 1362 OD1 ASP A 87 10.455 7.772 2.845 1.00 0.00 O ATOM 1363 OD2 ASP A 87 9.943 9.847 3.357 1.00 0.00 O ATOM 0 H ASP A 87 11.484 6.270 4.849 1.00 0.00 H new ATOM 0 HA ASP A 87 11.701 8.947 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.287 7.279 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.212 8.960 5.573 1.00 0.00 H new ATOM 1368 N GLU A 88 11.318 6.656 7.945 1.00 0.00 N ATOM 1369 CA GLU A 88 10.849 6.006 9.190 1.00 0.00 C ATOM 1370 C GLU A 88 10.180 6.947 10.206 1.00 0.00 C ATOM 1371 O GLU A 88 9.108 6.626 10.723 1.00 0.00 O ATOM 1372 CB GLU A 88 11.995 5.239 9.872 1.00 0.00 C ATOM 1373 CG GLU A 88 13.181 6.098 10.274 1.00 0.00 C ATOM 1374 CD GLU A 88 14.112 5.376 11.230 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.755 5.243 12.421 1.00 0.00 O ATOM 1376 OE2 GLU A 88 15.197 4.933 10.803 1.00 0.00 O ATOM 0 H GLU A 88 12.169 6.239 7.569 1.00 0.00 H new ATOM 0 HA GLU A 88 10.069 5.319 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.604 4.744 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.342 4.456 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.735 6.391 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.822 7.015 10.742 1.00 0.00 H new ATOM 1383 N GLN A 89 10.789 8.096 10.497 1.00 0.00 N ATOM 1384 CA GLN A 89 10.244 9.012 11.503 1.00 0.00 C ATOM 1385 C GLN A 89 8.856 9.523 11.115 1.00 0.00 C ATOM 1386 O GLN A 89 8.018 9.784 11.977 1.00 0.00 O ATOM 1387 CB GLN A 89 11.179 10.200 11.737 1.00 0.00 C ATOM 1388 CG GLN A 89 12.513 9.816 12.351 1.00 0.00 C ATOM 1389 CD GLN A 89 13.258 11.014 12.902 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.031 11.665 12.198 1.00 0.00 O ATOM 1391 NE2 GLN A 89 13.028 11.318 14.171 1.00 0.00 N ATOM 0 H GLN A 89 11.652 8.414 10.056 1.00 0.00 H new ATOM 0 HA GLN A 89 10.156 8.441 12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.358 10.703 10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.683 10.919 12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.348 9.094 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.128 9.323 11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.380 10.754 14.721 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.499 12.116 14.598 1.00 0.00 H new ATOM 1400 N PHE A 90 8.619 9.652 9.820 1.00 0.00 N ATOM 1401 CA PHE A 90 7.343 10.137 9.315 1.00 0.00 C ATOM 1402 C PHE A 90 6.522 8.979 8.763 1.00 0.00 C ATOM 1403 O PHE A 90 5.412 8.717 9.227 1.00 0.00 O ATOM 1404 CB PHE A 90 7.565 11.185 8.220 1.00 0.00 C ATOM 1405 CG PHE A 90 8.447 12.325 8.640 1.00 0.00 C ATOM 1406 CD1 PHE A 90 7.945 13.363 9.406 1.00 0.00 C ATOM 1407 CD2 PHE A 90 9.783 12.359 8.265 1.00 0.00 C ATOM 1408 CE1 PHE A 90 8.757 14.414 9.790 1.00 0.00 C ATOM 1409 CE2 PHE A 90 10.598 13.407 8.646 1.00 0.00 C ATOM 1410 CZ PHE A 90 10.084 14.435 9.411 1.00 0.00 C ATOM 0 H PHE A 90 9.299 9.426 9.094 1.00 0.00 H new ATOM 0 HA PHE A 90 6.799 10.599 10.139 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.006 10.699 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.599 11.582 7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.908 13.352 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.190 11.556 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.353 15.219 10.387 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.635 13.422 8.346 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.719 15.255 9.712 1.00 0.00 H new ATOM 1420 N SER A 91 7.102 8.280 7.782 1.00 0.00 N ATOM 1421 CA SER A 91 6.456 7.149 7.120 1.00 0.00 C ATOM 1422 C SER A 91 5.186 7.578 6.386 1.00 0.00 C ATOM 1423 O SER A 91 4.898 8.770 6.262 1.00 0.00 O ATOM 1424 CB SER A 91 6.153 6.043 8.133 1.00 0.00 C ATOM 1425 OG SER A 91 7.355 5.531 8.687 1.00 0.00 O ATOM 0 H SER A 91 8.035 8.486 7.426 1.00 0.00 H new ATOM 0 HA SER A 91 7.147 6.758 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.518 6.434 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.599 5.240 7.648 1.00 0.00 H new ATOM 0 HG SER A 91 7.707 6.165 9.346 1.00 0.00 H new ATOM 1431 N VAL A 92 4.445 6.607 5.877 1.00 0.00 N ATOM 1432 CA VAL A 92 3.214 6.888 5.161 1.00 0.00 C ATOM 1433 C VAL A 92 2.013 6.501 6.013 1.00 0.00 C ATOM 1434 O VAL A 92 2.162 5.835 7.038 1.00 0.00 O ATOM 1435 CB VAL A 92 3.159 6.145 3.807 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.252 6.652 2.877 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.284 4.643 4.007 1.00 0.00 C ATOM 0 H VAL A 92 4.676 5.616 5.947 1.00 0.00 H new ATOM 0 HA VAL A 92 3.187 7.958 4.957 1.00 0.00 H new ATOM 0 HB VAL A 92 2.191 6.346 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.199 6.118 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.114 7.719 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.227 6.482 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.242 4.142 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.234 4.418 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.465 4.290 4.634 1.00 0.00 H new ATOM 1447 N LYS A 93 0.831 6.922 5.599 1.00 0.00 N ATOM 1448 CA LYS A 93 -0.374 6.619 6.348 1.00 0.00 C ATOM 1449 C LYS A 93 -0.902 5.238 6.000 1.00 0.00 C ATOM 1450 O LYS A 93 -1.031 4.881 4.828 1.00 0.00 O ATOM 1451 CB LYS A 93 -1.451 7.679 6.105 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.341 8.880 7.031 1.00 0.00 C ATOM 1453 CD LYS A 93 -1.532 8.470 8.483 1.00 0.00 C ATOM 1454 CE LYS A 93 -1.549 9.670 9.418 1.00 0.00 C ATOM 1455 NZ LYS A 93 -0.270 10.426 9.385 1.00 0.00 N ATOM 0 H LYS A 93 0.681 7.472 4.753 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.116 6.628 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.387 8.020 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.433 7.223 6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.365 9.350 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.090 9.624 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.467 7.919 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.730 7.793 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.368 10.333 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.743 9.332 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.289 11.172 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.521 9.778 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.146 10.857 8.447 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.191 4.461 7.032 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.751 3.133 6.859 1.00 0.00 C ATOM 1471 C HIS A 94 -3.260 3.233 6.718 1.00 0.00 C ATOM 1472 O HIS A 94 -3.956 3.604 7.662 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.396 2.245 8.057 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.835 0.814 7.919 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -3.097 0.364 8.260 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.159 -0.277 7.485 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -3.171 -0.936 8.044 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.007 -1.352 7.573 1.00 0.00 N ATOM 0 H HIS A 94 -1.045 4.731 8.005 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.332 2.685 5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.316 2.269 8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.850 2.667 8.954 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.853 0.946 8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.138 -0.297 7.134 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.037 -1.556 8.222 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.755 2.917 5.537 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.179 2.965 5.274 1.00 0.00 C ATOM 1489 C TYR A 95 -5.764 1.567 5.384 1.00 0.00 C ATOM 1490 O TYR A 95 -5.158 0.592 4.934 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.450 3.551 3.888 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.801 4.901 3.665 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.055 5.967 4.516 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.926 5.104 2.607 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -4.460 7.197 4.318 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.325 6.331 2.403 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.597 7.374 3.260 1.00 0.00 C ATOM 1498 OH TYR A 95 -2.996 8.598 3.065 1.00 0.00 O ATOM 0 H TYR A 95 -3.188 2.623 4.741 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.655 3.610 6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.090 2.854 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.527 3.647 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.730 5.832 5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.711 4.289 1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.670 8.016 4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.645 6.472 1.576 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.035 8.471 2.921 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.930 1.471 5.994 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.577 0.187 6.194 1.00 0.00 C ATOM 1510 C GLU A 96 -8.274 -0.255 4.920 1.00 0.00 C ATOM 1511 O GLU A 96 -9.204 0.396 4.446 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.572 0.250 7.358 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.927 0.145 8.736 1.00 0.00 C ATOM 1514 CD GLU A 96 -6.887 1.216 9.000 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.264 2.404 9.082 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.691 0.870 9.144 1.00 0.00 O ATOM 0 H GLU A 96 -7.450 2.268 6.361 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.811 -0.546 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.125 1.187 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.297 -0.556 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.704 0.209 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.461 -0.835 8.837 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.799 -1.353 4.361 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.375 -1.908 3.152 1.00 0.00 C ATOM 1525 C ALA A 97 -9.071 -3.220 3.460 1.00 0.00 C ATOM 1526 O ALA A 97 -8.512 -4.087 4.133 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.296 -2.112 2.098 1.00 0.00 C ATOM 0 H ALA A 97 -7.008 -1.881 4.730 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.112 -1.207 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.743 -2.529 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.831 -1.155 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.540 -2.799 2.479 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.296 -3.364 2.985 1.00 0.00 N ATOM 1534 CA ARG A 98 -11.048 -4.584 3.214 1.00 0.00 C ATOM 1535 C ARG A 98 -11.660 -5.085 1.916 1.00 0.00 C ATOM 1536 O ARG A 98 -11.824 -4.326 0.957 1.00 0.00 O ATOM 1537 CB ARG A 98 -12.152 -4.361 4.252 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.263 -3.440 3.774 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.371 -3.322 4.804 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.445 -2.437 4.358 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.504 -2.120 5.100 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.636 -2.617 6.326 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.432 -1.308 4.606 1.00 0.00 N ATOM 0 H ARG A 98 -10.788 -2.655 2.441 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.356 -5.335 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.583 -5.325 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.709 -3.943 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.853 -2.452 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.674 -3.819 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.780 -4.311 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.957 -2.946 5.740 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.379 -2.038 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.924 -3.244 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.449 -2.371 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.331 -0.931 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.246 -1.061 5.169 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.998 -6.363 1.899 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.605 -6.982 0.738 1.00 0.00 C ATOM 1559 C VAL A 99 -14.081 -7.240 1.004 1.00 0.00 C ATOM 1560 O VAL A 99 -14.445 -8.228 1.638 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.904 -8.306 0.377 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.440 -8.867 -0.929 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.401 -8.104 0.296 1.00 0.00 C ATOM 0 H VAL A 99 -11.859 -6.996 2.686 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.496 -6.299 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.115 -9.029 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.929 -9.801 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.510 -9.053 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.267 -8.150 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.920 -9.048 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.174 -7.362 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.028 -7.756 1.259 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.917 -6.330 0.539 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.352 -6.420 0.756 1.00 0.00 C ATOM 1575 C LYS A 100 -17.026 -7.073 -0.440 1.00 0.00 C ATOM 1576 O LYS A 100 -17.136 -6.458 -1.500 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.934 -5.025 0.981 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.444 -5.013 1.133 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.989 -3.598 1.169 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.476 -3.581 0.879 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.776 -4.202 -0.439 1.00 0.00 N ATOM 0 H LYS A 100 -14.625 -5.512 0.004 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.534 -7.031 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.484 -4.593 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.657 -4.385 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.898 -5.558 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.722 -5.534 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.801 -3.157 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.465 -2.984 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -21.008 -4.116 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.839 -2.553 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.636 -3.773 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.978 -4.044 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.924 -5.224 -0.316 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.443 -8.327 -0.271 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.112 -9.098 -1.331 1.00 0.00 C ATOM 1597 C ASP A 101 -17.151 -9.381 -2.493 1.00 0.00 C ATOM 1598 O ASP A 101 -17.514 -10.009 -3.487 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.358 -8.337 -1.826 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.195 -9.118 -2.824 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -21.069 -9.898 -2.389 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.004 -8.936 -4.045 1.00 0.00 O ATOM 0 H ASP A 101 -17.329 -8.842 0.602 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.426 -10.057 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.979 -8.078 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.042 -7.400 -2.285 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.902 -8.966 -2.333 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.939 -9.073 -3.407 1.00 0.00 C ATOM 1609 C GLY A 102 -14.533 -7.712 -3.941 1.00 0.00 C ATOM 1610 O GLY A 102 -13.788 -7.613 -4.916 1.00 0.00 O ATOM 0 H GLY A 102 -15.538 -8.555 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.055 -9.602 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.362 -9.669 -4.216 1.00 0.00 H new ATOM 1614 N VAL A 103 -15.035 -6.662 -3.301 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.717 -5.294 -3.684 1.00 0.00 C ATOM 1616 C VAL A 103 -13.731 -4.682 -2.684 1.00 0.00 C ATOM 1617 O VAL A 103 -13.869 -4.871 -1.477 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.996 -4.427 -3.728 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.674 -2.993 -4.117 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -17.013 -5.024 -4.687 1.00 0.00 C ATOM 0 H VAL A 103 -15.670 -6.735 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.267 -5.317 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.428 -4.415 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.593 -2.407 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.988 -2.563 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.210 -2.979 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.907 -4.400 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.584 -5.072 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.278 -6.028 -4.357 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.742 -3.961 -3.188 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.751 -3.318 -2.339 1.00 0.00 C ATOM 1632 C VAL A 104 -12.296 -1.997 -1.814 1.00 0.00 C ATOM 1633 O VAL A 104 -12.576 -1.084 -2.594 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.438 -3.021 -3.097 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.352 -2.570 -2.131 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.986 -4.234 -3.898 1.00 0.00 C ATOM 0 H VAL A 104 -12.604 -3.806 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.539 -4.009 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.626 -2.209 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.435 -2.366 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.675 -1.665 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.167 -3.356 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.060 -3.999 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.818 -5.074 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.756 -4.499 -4.623 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.463 -1.897 -0.509 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.885 -0.643 0.093 1.00 0.00 C ATOM 1648 C GLN A 105 -11.788 -0.084 0.982 1.00 0.00 C ATOM 1649 O GLN A 105 -11.201 -0.809 1.790 1.00 0.00 O ATOM 1650 CB GLN A 105 -14.182 -0.809 0.883 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.385 -1.106 0.005 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.699 -0.866 0.717 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.799 -1.016 1.936 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.717 -0.490 -0.042 1.00 0.00 N ATOM 0 H GLN A 105 -12.315 -2.660 0.151 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.077 0.064 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -14.059 -1.617 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.372 0.101 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.341 -0.483 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.340 -2.143 -0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.589 -0.378 -1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.629 -0.312 0.379 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.513 1.202 0.816 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.450 1.867 1.558 1.00 0.00 C ATOM 1665 C LEU A 106 -11.015 2.824 2.595 1.00 0.00 C ATOM 1666 O LEU A 106 -11.961 3.561 2.323 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.544 2.650 0.607 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.806 1.821 -0.440 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.971 2.728 -1.330 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.933 0.778 0.232 1.00 0.00 C ATOM 0 H LEU A 106 -12.015 1.810 0.169 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.875 1.093 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.148 3.397 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.807 3.191 1.200 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.538 1.304 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.448 2.127 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.622 3.443 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.244 3.265 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.413 0.195 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.203 1.273 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.555 0.116 0.835 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.431 2.800 3.779 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.751 3.763 4.818 1.00 0.00 C ATOM 1684 C ARG A 107 -9.484 4.491 5.235 1.00 0.00 C ATOM 1685 O ARG A 107 -8.562 3.883 5.781 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.370 3.063 6.027 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.590 3.968 7.224 1.00 0.00 C ATOM 1688 CD ARG A 107 -11.977 3.152 8.441 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.043 3.949 9.660 1.00 0.00 N ATOM 1690 CZ ARG A 107 -10.995 4.188 10.453 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -9.792 3.727 10.134 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -11.153 4.889 11.564 1.00 0.00 N ATOM 0 H ARG A 107 -9.724 2.115 4.047 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.474 4.479 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.326 2.630 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.724 2.237 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.682 4.534 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.373 4.693 7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.946 2.684 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.255 2.347 8.578 1.00 0.00 H new ATOM 0 HE ARG A 107 -12.944 4.348 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.663 3.186 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.996 3.913 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -12.075 5.247 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.353 5.072 12.170 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.432 5.781 4.958 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.273 6.563 5.312 1.00 0.00 C ATOM 1708 C GLY A 108 -8.425 8.010 4.920 1.00 0.00 C ATOM 1709 O GLY A 108 -9.540 8.486 4.720 1.00 0.00 O ATOM 0 H GLY A 108 -10.175 6.302 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.104 6.495 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.392 6.146 4.824 1.00 0.00 H new