USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -0.567 K(o=-0.33,f=-0.96) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.237 USER MOD Set 2.1: A 73 SER OG : rot 90:sc= 0.471 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.588 K(o=-0.12,f=-7.2!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 GLN :FLIP amide:sc= 0.944 F(o=-0.88,f=1.1) USER MOD Set 4.2: A 36 ASN : amide:sc= 0.135 K(o=1.1,f=-1.6) USER MOD Single : A 11 SER OG : rot -10:sc= 0.921 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.731 F(o=-1.2,f=-0.73) USER MOD Single : A 29 SER OG : rot -50:sc= -0.73 USER MOD Single : A 32 THR OG1 : rot 56:sc= -0.381 USER MOD Single : A 33 TYR OH : rot 60:sc= -1.51 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 43:sc= 0.258 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.46 F(o=-4.3!,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 97:sc= 1.36 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 165:sc=-0.00284 (180deg=-0.205) USER MOD Single : A 60 ASN :FLIP amide:sc= 0.0324 F(o=-0.85,f=0.032) USER MOD Single : A 68 SER OG : rot -16:sc= 0.647! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.97 X(o=-0.97,f=-0.97) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.0069) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 68:sc= 1.02 USER MOD Single : A 97 TYR OH : rot 50:sc= -2.38 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -1.62 F(o=-4.9!,f=-1.6) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 109 SER OG : rot -86:sc= -5.59! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -160:sc= -0.894 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -31.342 3.969 1.435 1.00 0.00 N ATOM 26 CA ARG A 8 -29.888 3.946 1.423 1.00 0.00 C ATOM 27 C ARG A 8 -29.342 2.547 1.142 1.00 0.00 C ATOM 28 O ARG A 8 -30.075 1.653 0.720 1.00 0.00 O ATOM 29 CB ARG A 8 -29.345 4.466 2.753 1.00 0.00 C ATOM 30 CG ARG A 8 -30.239 5.493 3.435 1.00 0.00 C ATOM 31 CD ARG A 8 -29.459 6.338 4.430 1.00 0.00 C ATOM 32 NE ARG A 8 -29.980 7.699 4.519 1.00 0.00 N ATOM 33 CZ ARG A 8 -31.047 8.033 5.237 1.00 0.00 C ATOM 34 NH1 ARG A 8 -31.703 7.106 5.923 1.00 0.00 N ATOM 35 NH2 ARG A 8 -31.460 9.293 5.270 1.00 0.00 N ATOM 0 HA ARG A 8 -29.554 4.597 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -29.200 3.622 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.364 4.911 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.691 6.140 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -31.054 4.983 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -29.499 5.869 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -28.410 6.370 4.135 1.00 0.00 H new ATOM 0 HE ARG A 8 -29.498 8.434 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -31.388 6.136 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -32.522 7.363 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -30.958 10.008 4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -32.279 9.547 5.822 1.00 0.00 H new ATOM 49 N CYS A 9 -28.042 2.380 1.358 1.00 0.00 N ATOM 50 CA CYS A 9 -27.376 1.105 1.124 1.00 0.00 C ATOM 51 C CYS A 9 -26.931 0.482 2.441 1.00 0.00 C ATOM 52 O CYS A 9 -26.844 1.166 3.461 1.00 0.00 O ATOM 53 CB CYS A 9 -26.166 1.308 0.211 1.00 0.00 C ATOM 54 SG CYS A 9 -26.573 1.377 -1.563 1.00 0.00 S ATOM 0 H CYS A 9 -27.425 3.118 1.697 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.082 0.430 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.663 2.233 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.458 0.496 0.379 1.00 0.00 H new ATOM 59 N PRO A 10 -26.653 -0.831 2.445 1.00 0.00 N ATOM 60 CA PRO A 10 -26.180 -1.522 3.641 1.00 0.00 C ATOM 61 C PRO A 10 -24.794 -1.034 4.023 1.00 0.00 C ATOM 62 O PRO A 10 -24.172 -0.284 3.271 1.00 0.00 O ATOM 63 CB PRO A 10 -26.152 -2.991 3.226 1.00 0.00 C ATOM 64 CG PRO A 10 -25.982 -2.957 1.749 1.00 0.00 C ATOM 65 CD PRO A 10 -26.701 -1.723 1.274 1.00 0.00 C ATOM 0 HA PRO A 10 -26.811 -1.348 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.332 -3.524 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.073 -3.501 3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.927 -2.921 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.399 -3.853 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.209 -1.278 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.727 -1.944 0.978 1.00 0.00 H new ATOM 73 N SER A 11 -24.302 -1.443 5.185 1.00 0.00 N ATOM 74 CA SER A 11 -22.994 -0.999 5.626 1.00 0.00 C ATOM 75 C SER A 11 -21.950 -1.225 4.534 1.00 0.00 C ATOM 76 O SER A 11 -21.757 -2.351 4.075 1.00 0.00 O ATOM 77 CB SER A 11 -22.575 -1.716 6.901 1.00 0.00 C ATOM 78 OG SER A 11 -21.932 -2.946 6.612 1.00 0.00 O ATOM 0 H SER A 11 -24.783 -2.072 5.828 1.00 0.00 H new ATOM 0 HA SER A 11 -23.059 0.069 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.903 -1.078 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.451 -1.898 7.523 1.00 0.00 H new ATOM 0 HG SER A 11 -22.034 -3.152 5.659 1.00 0.00 H new ATOM 84 N PRO A 12 -21.288 -0.152 4.071 1.00 0.00 N ATOM 85 CA PRO A 12 -20.277 -0.242 3.020 1.00 0.00 C ATOM 86 C PRO A 12 -19.273 -1.354 3.276 1.00 0.00 C ATOM 87 O PRO A 12 -18.902 -1.618 4.420 1.00 0.00 O ATOM 88 CB PRO A 12 -19.580 1.126 3.061 1.00 0.00 C ATOM 89 CG PRO A 12 -20.100 1.816 4.274 1.00 0.00 C ATOM 90 CD PRO A 12 -21.443 1.226 4.544 1.00 0.00 C ATOM 0 HA PRO A 12 -20.724 -0.475 2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.497 1.011 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.797 1.702 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.432 1.668 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.173 2.891 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.697 1.265 5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.232 1.752 4.007 1.00 0.00 H new ATOM 98 N ARG A 13 -18.824 -1.997 2.202 1.00 0.00 N ATOM 99 CA ARG A 13 -17.821 -3.048 2.306 1.00 0.00 C ATOM 100 C ARG A 13 -16.622 -2.542 3.083 1.00 0.00 C ATOM 101 O ARG A 13 -16.632 -1.427 3.596 1.00 0.00 O ATOM 102 CB ARG A 13 -17.389 -3.512 0.913 1.00 0.00 C ATOM 103 CG ARG A 13 -17.200 -5.016 0.805 1.00 0.00 C ATOM 104 CD ARG A 13 -17.858 -5.570 -0.446 1.00 0.00 C ATOM 105 NE ARG A 13 -18.808 -6.635 -0.137 1.00 0.00 N ATOM 106 CZ ARG A 13 -18.455 -7.899 0.077 1.00 0.00 C ATOM 107 NH1 ARG A 13 -19.378 -8.808 0.357 1.00 0.00 N ATOM 108 NH2 ARG A 13 -17.179 -8.254 0.011 1.00 0.00 N ATOM 0 H ARG A 13 -19.140 -1.808 1.251 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.255 -3.897 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.136 -3.195 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.455 -3.017 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.136 -5.250 0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.622 -5.501 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.373 -4.766 -0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.091 -5.952 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 13 -19.798 -6.396 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -20.360 -8.538 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -19.106 -9.777 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.466 -7.557 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.910 -9.224 0.176 1.00 0.00 H new ATOM 122 N ASP A 14 -15.596 -3.361 3.185 1.00 0.00 N ATOM 123 CA ASP A 14 -14.407 -2.965 3.919 1.00 0.00 C ATOM 124 C ASP A 14 -13.139 -3.509 3.284 1.00 0.00 C ATOM 125 O ASP A 14 -13.175 -4.192 2.260 1.00 0.00 O ATOM 126 CB ASP A 14 -14.502 -3.426 5.369 1.00 0.00 C ATOM 127 CG ASP A 14 -13.851 -2.455 6.335 1.00 0.00 C ATOM 128 OD1 ASP A 14 -14.573 -1.615 6.910 1.00 0.00 O ATOM 129 OD2 ASP A 14 -12.617 -2.535 6.514 1.00 0.00 O ATOM 0 H ASP A 14 -15.558 -4.294 2.775 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.353 -1.877 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.551 -3.552 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.028 -4.403 5.467 1.00 0.00 H new ATOM 134 N ILE A 15 -12.020 -3.183 3.908 1.00 0.00 N ATOM 135 CA ILE A 15 -10.713 -3.599 3.430 1.00 0.00 C ATOM 136 C ILE A 15 -9.824 -4.003 4.603 1.00 0.00 C ATOM 137 O ILE A 15 -10.027 -3.553 5.732 1.00 0.00 O ATOM 138 CB ILE A 15 -10.047 -2.465 2.631 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.612 -2.828 2.246 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.078 -1.176 3.434 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.098 -2.039 1.066 1.00 0.00 C ATOM 0 H ILE A 15 -11.992 -2.623 4.760 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.844 -4.460 2.774 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.609 -2.319 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.958 -2.658 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.563 -3.892 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.605 -0.379 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.112 -0.905 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.540 -1.318 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.075 -2.343 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.730 -2.228 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.117 -0.975 1.304 1.00 0.00 H new ATOM 153 N ASP A 16 -8.851 -4.863 4.335 1.00 0.00 N ATOM 154 CA ASP A 16 -7.954 -5.349 5.377 1.00 0.00 C ATOM 155 C ASP A 16 -6.873 -4.327 5.706 1.00 0.00 C ATOM 156 O ASP A 16 -6.862 -3.751 6.793 1.00 0.00 O ATOM 157 CB ASP A 16 -7.311 -6.670 4.951 1.00 0.00 C ATOM 158 CG ASP A 16 -8.287 -7.583 4.235 1.00 0.00 C ATOM 159 OD1 ASP A 16 -7.970 -8.028 3.112 1.00 0.00 O ATOM 160 OD2 ASP A 16 -9.367 -7.856 4.800 1.00 0.00 O ATOM 0 H ASP A 16 -8.662 -5.239 3.406 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.549 -5.511 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.463 -6.464 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.919 -7.180 5.831 1.00 0.00 H new ATOM 165 N ASN A 17 -5.963 -4.109 4.765 1.00 0.00 N ATOM 166 CA ASN A 17 -4.874 -3.161 4.966 1.00 0.00 C ATOM 167 C ASN A 17 -5.244 -1.788 4.426 1.00 0.00 C ATOM 168 O ASN A 17 -4.413 -1.091 3.845 1.00 0.00 O ATOM 169 CB ASN A 17 -3.597 -3.664 4.289 1.00 0.00 C ATOM 170 CG ASN A 17 -3.442 -5.169 4.390 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.902 -5.740 5.498 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 -2.926 -5.814 3.476 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.957 -4.574 3.857 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.695 -3.074 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.607 -3.372 3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.733 -3.181 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.586 -5.335 2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.839 -6.827 3.553 1.00 0.00 H new ATOM 179 N GLY A 18 -6.498 -1.403 4.628 1.00 0.00 N ATOM 180 CA GLY A 18 -6.958 -0.116 4.150 1.00 0.00 C ATOM 181 C GLY A 18 -8.030 0.496 5.032 1.00 0.00 C ATOM 182 O GLY A 18 -8.436 -0.092 6.034 1.00 0.00 O ATOM 0 H GLY A 18 -7.202 -1.959 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.111 0.567 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.348 -0.229 3.139 1.00 0.00 H new ATOM 186 N GLN A 19 -8.476 1.689 4.656 1.00 0.00 N ATOM 187 CA GLN A 19 -9.499 2.407 5.404 1.00 0.00 C ATOM 188 C GLN A 19 -10.446 3.114 4.443 1.00 0.00 C ATOM 189 O GLN A 19 -10.009 3.750 3.482 1.00 0.00 O ATOM 190 CB GLN A 19 -8.857 3.431 6.350 1.00 0.00 C ATOM 191 CG GLN A 19 -7.438 3.079 6.776 1.00 0.00 C ATOM 192 CD GLN A 19 -7.053 3.697 8.105 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.394 4.967 8.289 1.00 0.00 O flip ATOM 194 NE2 GLN A 19 -6.450 3.042 8.956 1.00 0.00 N flip ATOM 0 H GLN A 19 -8.141 2.183 3.829 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.061 1.688 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.847 4.405 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.479 3.527 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.342 1.995 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.740 3.414 6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.208 2.068 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.193 3.473 9.844 1.00 0.00 H new ATOM 203 N LEU A 20 -11.744 2.991 4.695 1.00 0.00 N ATOM 204 CA LEU A 20 -12.744 3.598 3.830 1.00 0.00 C ATOM 205 C LEU A 20 -13.036 5.039 4.222 1.00 0.00 C ATOM 206 O LEU A 20 -12.933 5.418 5.388 1.00 0.00 O ATOM 207 CB LEU A 20 -14.037 2.796 3.877 1.00 0.00 C ATOM 208 CG LEU A 20 -14.156 1.711 2.813 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.345 0.827 3.113 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.880 0.888 2.747 1.00 0.00 C ATOM 0 H LEU A 20 -12.126 2.478 5.489 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.338 3.595 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.125 2.333 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.877 3.482 3.772 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.305 2.183 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.425 0.053 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.215 0.361 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.254 1.429 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.983 0.118 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.041 1.537 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.700 0.417 3.714 1.00 0.00 H new ATOM 222 N ASP A 21 -13.445 5.821 3.233 1.00 0.00 N ATOM 223 CA ASP A 21 -13.814 7.213 3.441 1.00 0.00 C ATOM 224 C ASP A 21 -15.238 7.442 2.952 1.00 0.00 C ATOM 225 O ASP A 21 -15.457 7.891 1.826 1.00 0.00 O ATOM 226 CB ASP A 21 -12.849 8.130 2.700 1.00 0.00 C ATOM 227 CG ASP A 21 -12.211 9.160 3.612 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.936 9.750 4.440 1.00 0.00 O ATOM 229 OD2 ASP A 21 -10.986 9.375 3.499 1.00 0.00 O ATOM 0 H ASP A 21 -13.530 5.509 2.266 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.760 7.442 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.068 7.530 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.382 8.640 1.897 1.00 0.00 H new ATOM 234 N ILE A 22 -16.201 7.075 3.788 1.00 0.00 N ATOM 235 CA ILE A 22 -17.610 7.168 3.426 1.00 0.00 C ATOM 236 C ILE A 22 -18.130 8.596 3.468 1.00 0.00 C ATOM 237 O ILE A 22 -18.200 9.218 4.528 1.00 0.00 O ATOM 238 CB ILE A 22 -18.487 6.298 4.344 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.937 4.873 4.417 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.925 6.288 3.847 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.098 4.238 5.778 1.00 0.00 C ATOM 0 H ILE A 22 -16.031 6.709 4.725 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.674 6.803 2.401 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.469 6.725 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.444 4.257 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.880 4.885 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.533 5.669 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.316 7.306 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.958 5.882 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.687 3.229 5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.567 4.832 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.156 4.194 6.036 1.00 0.00 H new ATOM 253 N GLY A 23 -18.539 9.089 2.306 1.00 0.00 N ATOM 254 CA GLY A 23 -19.137 10.404 2.222 1.00 0.00 C ATOM 255 C GLY A 23 -20.627 10.317 1.950 1.00 0.00 C ATOM 256 O GLY A 23 -21.241 11.278 1.485 1.00 0.00 O ATOM 0 H GLY A 23 -18.466 8.597 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.966 10.943 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.654 10.976 1.430 1.00 0.00 H new ATOM 260 N GLY A 24 -21.205 9.148 2.227 1.00 0.00 N ATOM 261 CA GLY A 24 -22.620 8.934 1.992 1.00 0.00 C ATOM 262 C GLY A 24 -22.944 7.462 1.824 1.00 0.00 C ATOM 263 O GLY A 24 -22.045 6.647 1.618 1.00 0.00 O ATOM 0 H GLY A 24 -20.712 8.342 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.193 9.340 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.927 9.479 1.099 1.00 0.00 H new ATOM 267 N VAL A 25 -24.222 7.114 1.921 1.00 0.00 N ATOM 268 CA VAL A 25 -24.641 5.724 1.783 1.00 0.00 C ATOM 269 C VAL A 25 -25.983 5.615 1.069 1.00 0.00 C ATOM 270 O VAL A 25 -26.697 4.623 1.219 1.00 0.00 O ATOM 271 CB VAL A 25 -24.746 5.030 3.154 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.419 5.105 3.895 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.864 5.646 3.982 1.00 0.00 C ATOM 0 H VAL A 25 -24.983 7.771 2.094 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.877 5.226 1.186 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.985 3.979 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.513 4.609 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.646 4.610 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.146 6.149 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.922 5.142 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.660 6.705 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.812 5.532 3.456 1.00 0.00 H new ATOM 283 N ASP A 26 -26.326 6.640 0.299 1.00 0.00 N ATOM 284 CA ASP A 26 -27.585 6.648 -0.439 1.00 0.00 C ATOM 285 C ASP A 26 -27.387 6.115 -1.853 1.00 0.00 C ATOM 286 O ASP A 26 -26.271 6.103 -2.370 1.00 0.00 O ATOM 287 CB ASP A 26 -28.179 8.059 -0.492 1.00 0.00 C ATOM 288 CG ASP A 26 -27.126 9.137 -0.665 1.00 0.00 C ATOM 289 OD1 ASP A 26 -26.628 9.305 -1.798 1.00 0.00 O ATOM 290 OD2 ASP A 26 -26.798 9.812 0.333 1.00 0.00 O ATOM 0 H ASP A 26 -25.753 7.474 0.169 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.282 5.996 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.890 8.118 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.737 8.247 0.425 1.00 0.00 H new ATOM 295 N PHE A 27 -28.478 5.674 -2.470 1.00 0.00 N ATOM 296 CA PHE A 27 -28.427 5.144 -3.828 1.00 0.00 C ATOM 297 C PHE A 27 -27.818 6.164 -4.781 1.00 0.00 C ATOM 298 O PHE A 27 -28.529 6.953 -5.404 1.00 0.00 O ATOM 299 CB PHE A 27 -29.833 4.761 -4.298 1.00 0.00 C ATOM 300 CG PHE A 27 -29.870 4.071 -5.635 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.021 4.103 -6.407 1.00 0.00 C ATOM 302 CD2 PHE A 27 -28.766 3.379 -6.115 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.070 3.468 -7.632 1.00 0.00 C ATOM 304 CE2 PHE A 27 -28.811 2.742 -7.342 1.00 0.00 C ATOM 305 CZ PHE A 27 -29.964 2.786 -8.100 1.00 0.00 C ATOM 0 H PHE A 27 -29.408 5.673 -2.052 1.00 0.00 H new ATOM 0 HA PHE A 27 -27.798 4.254 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.288 4.109 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -30.445 5.662 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -31.891 4.632 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -27.863 3.338 -5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -31.973 3.505 -8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -27.945 2.210 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.001 2.288 -9.058 1.00 0.00 H new ATOM 315 N GLY A 28 -26.495 6.146 -4.884 1.00 0.00 N ATOM 316 CA GLY A 28 -25.805 7.084 -5.745 1.00 0.00 C ATOM 317 C GLY A 28 -24.605 7.718 -5.066 1.00 0.00 C ATOM 318 O GLY A 28 -23.765 8.330 -5.726 1.00 0.00 O ATOM 0 H GLY A 28 -25.887 5.496 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.478 6.570 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -26.498 7.866 -6.056 1.00 0.00 H new ATOM 322 N SER A 29 -24.525 7.580 -3.744 1.00 0.00 N ATOM 323 CA SER A 29 -23.410 8.133 -2.988 1.00 0.00 C ATOM 324 C SER A 29 -22.099 7.512 -3.448 1.00 0.00 C ATOM 325 O SER A 29 -22.063 6.790 -4.444 1.00 0.00 O ATOM 326 CB SER A 29 -23.608 7.886 -1.491 1.00 0.00 C ATOM 327 OG SER A 29 -24.081 9.052 -0.839 1.00 0.00 O ATOM 0 H SER A 29 -25.218 7.091 -3.178 1.00 0.00 H new ATOM 0 HA SER A 29 -23.372 9.208 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 29 -24.317 7.071 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 29 -22.665 7.573 -1.043 1.00 0.00 H new ATOM 0 HG SER A 29 -23.516 9.815 -1.083 1.00 0.00 H new ATOM 333 N SER A 30 -21.023 7.786 -2.720 1.00 0.00 N ATOM 334 CA SER A 30 -19.725 7.233 -3.072 1.00 0.00 C ATOM 335 C SER A 30 -18.769 7.236 -1.888 1.00 0.00 C ATOM 336 O SER A 30 -18.702 8.199 -1.124 1.00 0.00 O ATOM 337 CB SER A 30 -19.109 8.014 -4.235 1.00 0.00 C ATOM 338 OG SER A 30 -19.103 9.406 -3.968 1.00 0.00 O ATOM 0 H SER A 30 -21.024 8.381 -1.892 1.00 0.00 H new ATOM 0 HA SER A 30 -19.885 6.198 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.090 7.670 -4.409 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.672 7.818 -5.148 1.00 0.00 H new ATOM 0 HG SER A 30 -18.703 9.883 -4.725 1.00 0.00 H new ATOM 344 N ILE A 31 -18.017 6.150 -1.762 1.00 0.00 N ATOM 345 CA ILE A 31 -17.031 6.007 -0.696 1.00 0.00 C ATOM 346 C ILE A 31 -15.627 6.226 -1.255 1.00 0.00 C ATOM 347 O ILE A 31 -15.459 6.419 -2.458 1.00 0.00 O ATOM 348 CB ILE A 31 -17.097 4.614 -0.017 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.433 3.912 -0.293 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.897 4.748 1.479 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.521 2.527 0.305 1.00 0.00 C ATOM 0 H ILE A 31 -18.072 5.348 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.261 6.759 0.059 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.298 4.007 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.244 4.523 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.583 3.844 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.946 3.763 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.923 5.194 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.679 5.384 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.492 2.090 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.732 1.901 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.403 2.590 1.387 1.00 0.00 H new ATOM 363 N THR A 32 -14.623 6.203 -0.384 1.00 0.00 N ATOM 364 CA THR A 32 -13.239 6.397 -0.810 1.00 0.00 C ATOM 365 C THR A 32 -12.310 5.426 -0.092 1.00 0.00 C ATOM 366 O THR A 32 -12.122 5.517 1.119 1.00 0.00 O ATOM 367 CB THR A 32 -12.796 7.837 -0.543 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.918 8.669 -0.307 1.00 0.00 O ATOM 369 CG2 THR A 32 -12.005 8.442 -1.682 1.00 0.00 C ATOM 0 H THR A 32 -14.740 6.053 0.618 1.00 0.00 H new ATOM 0 HA THR A 32 -13.184 6.202 -1.881 1.00 0.00 H new ATOM 0 HB THR A 32 -12.152 7.784 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.446 8.304 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.723 9.463 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.107 7.850 -1.856 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.615 8.449 -2.585 1.00 0.00 H new ATOM 377 N TYR A 33 -11.725 4.497 -0.842 1.00 0.00 N ATOM 378 CA TYR A 33 -10.841 3.501 -0.248 1.00 0.00 C ATOM 379 C TYR A 33 -9.410 3.999 -0.162 1.00 0.00 C ATOM 380 O TYR A 33 -8.955 4.784 -0.993 1.00 0.00 O ATOM 381 CB TYR A 33 -10.892 2.194 -1.035 1.00 0.00 C ATOM 382 CG TYR A 33 -12.054 1.330 -0.642 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.352 1.801 -0.756 1.00 0.00 C ATOM 384 CD2 TYR A 33 -11.854 0.051 -0.149 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.429 1.009 -0.407 1.00 0.00 C ATOM 386 CE2 TYR A 33 -12.925 -0.745 0.220 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.211 -0.265 0.074 1.00 0.00 C ATOM 388 OH TYR A 33 -15.280 -1.056 0.429 1.00 0.00 O ATOM 0 H TYR A 33 -11.845 4.413 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.196 3.320 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.954 2.417 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.965 1.643 -0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.524 2.802 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.848 -0.331 -0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.436 1.386 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.756 -1.734 0.619 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.860 -1.191 -0.350 1.00 0.00 H new ATOM 398 N SER A 34 -8.705 3.524 0.855 1.00 0.00 N ATOM 399 CA SER A 34 -7.318 3.907 1.070 1.00 0.00 C ATOM 400 C SER A 34 -6.589 2.850 1.890 1.00 0.00 C ATOM 401 O SER A 34 -7.215 1.998 2.514 1.00 0.00 O ATOM 402 CB SER A 34 -7.247 5.262 1.778 1.00 0.00 C ATOM 403 OG SER A 34 -6.756 6.268 0.910 1.00 0.00 O ATOM 0 H SER A 34 -9.073 2.870 1.546 1.00 0.00 H new ATOM 0 HA SER A 34 -6.830 3.989 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.238 5.540 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.601 5.185 2.652 1.00 0.00 H new ATOM 0 HG SER A 34 -6.722 7.124 1.387 1.00 0.00 H new ATOM 409 N CYS A 35 -5.265 2.909 1.881 1.00 0.00 N ATOM 410 CA CYS A 35 -4.454 1.950 2.621 1.00 0.00 C ATOM 411 C CYS A 35 -4.225 2.413 4.056 1.00 0.00 C ATOM 412 O CYS A 35 -4.463 3.574 4.390 1.00 0.00 O ATOM 413 CB CYS A 35 -3.117 1.748 1.916 1.00 0.00 C ATOM 414 SG CYS A 35 -3.277 1.456 0.129 1.00 0.00 S ATOM 0 H CYS A 35 -4.729 3.610 1.370 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.992 1.003 2.654 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.493 2.627 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.600 0.902 2.370 1.00 0.00 H new ATOM 419 N ASN A 36 -3.763 1.496 4.901 1.00 0.00 N ATOM 420 CA ASN A 36 -3.500 1.810 6.301 1.00 0.00 C ATOM 421 C ASN A 36 -2.344 2.797 6.430 1.00 0.00 C ATOM 422 O ASN A 36 -2.545 3.961 6.776 1.00 0.00 O ATOM 423 CB ASN A 36 -3.182 0.531 7.079 1.00 0.00 C ATOM 424 CG ASN A 36 -4.275 0.167 8.064 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.708 0.996 8.864 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.728 -1.080 8.011 1.00 0.00 N ATOM 0 H ASN A 36 -3.563 0.530 4.641 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.395 2.270 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.040 -0.292 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.242 0.659 7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.463 -1.383 8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.341 -1.735 7.332 1.00 0.00 H new ATOM 433 N SER A 37 -1.135 2.323 6.148 1.00 0.00 N ATOM 434 CA SER A 37 0.053 3.163 6.231 1.00 0.00 C ATOM 435 C SER A 37 1.213 2.539 5.464 1.00 0.00 C ATOM 436 O SER A 37 1.399 1.323 5.479 1.00 0.00 O ATOM 437 CB SER A 37 0.450 3.374 7.694 1.00 0.00 C ATOM 438 OG SER A 37 -0.004 4.628 8.172 1.00 0.00 O ATOM 0 H SER A 37 -0.953 1.362 5.860 1.00 0.00 H new ATOM 0 HA SER A 37 -0.181 4.128 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.031 2.575 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.534 3.315 7.792 1.00 0.00 H new ATOM 0 HG SER A 37 -0.919 4.786 7.859 1.00 0.00 H new ATOM 444 N GLY A 38 1.990 3.382 4.795 1.00 0.00 N ATOM 445 CA GLY A 38 3.117 2.895 4.024 1.00 0.00 C ATOM 446 C GLY A 38 2.718 1.798 3.059 1.00 0.00 C ATOM 447 O GLY A 38 3.517 0.918 2.742 1.00 0.00 O ATOM 0 H GLY A 38 1.860 4.393 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.560 3.722 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.884 2.519 4.702 1.00 0.00 H new ATOM 451 N TYR A 39 1.475 1.850 2.594 1.00 0.00 N ATOM 452 CA TYR A 39 0.957 0.848 1.669 1.00 0.00 C ATOM 453 C TYR A 39 0.586 1.476 0.328 1.00 0.00 C ATOM 454 O TYR A 39 0.654 2.694 0.162 1.00 0.00 O ATOM 455 CB TYR A 39 -0.283 0.182 2.269 1.00 0.00 C ATOM 456 CG TYR A 39 0.003 -1.089 3.033 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.110 -1.192 3.865 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.848 -2.182 2.933 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.367 -2.355 4.567 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.597 -3.347 3.628 1.00 0.00 C ATOM 461 CZ TYR A 39 0.509 -3.428 4.447 1.00 0.00 C ATOM 462 OH TYR A 39 0.762 -4.588 5.142 1.00 0.00 O ATOM 0 H TYR A 39 0.805 2.578 2.843 1.00 0.00 H new ATOM 0 HA TYR A 39 1.738 0.106 1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.775 0.890 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.986 -0.041 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.780 -0.351 3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.721 -2.119 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.235 -2.423 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.264 -4.191 3.531 1.00 0.00 H new ATOM 0 HH TYR A 39 0.061 -5.245 4.948 1.00 0.00 H new ATOM 472 N HIS A 40 0.182 0.636 -0.622 1.00 0.00 N ATOM 473 CA HIS A 40 -0.310 1.119 -1.904 1.00 0.00 C ATOM 474 C HIS A 40 -1.614 0.423 -2.243 1.00 0.00 C ATOM 475 O HIS A 40 -1.811 -0.747 -1.917 1.00 0.00 O ATOM 476 CB HIS A 40 0.702 0.948 -3.044 1.00 0.00 C ATOM 477 CG HIS A 40 1.543 -0.292 -2.985 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.388 -1.453 -2.305 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 2.692 -0.444 -3.735 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 2.445 -2.264 -2.638 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 3.213 -1.635 -3.507 1.00 0.00 N flip ATOM 0 H HIS A 40 0.187 -0.379 -0.526 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.474 2.192 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.160 0.953 -3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.364 1.814 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.101 0.297 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.620 -3.257 -2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.064 -2.006 -3.930 1.00 0.00 H new ATOM 490 N LEU A 41 -2.537 1.183 -2.802 1.00 0.00 N ATOM 491 CA LEU A 41 -3.860 0.671 -3.112 1.00 0.00 C ATOM 492 C LEU A 41 -3.910 0.087 -4.513 1.00 0.00 C ATOM 493 O LEU A 41 -3.365 0.661 -5.456 1.00 0.00 O ATOM 494 CB LEU A 41 -4.900 1.785 -2.974 1.00 0.00 C ATOM 495 CG LEU A 41 -6.280 1.456 -3.544 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.368 1.735 -2.518 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.522 2.248 -4.818 1.00 0.00 C ATOM 0 H LEU A 41 -2.394 2.162 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.087 -0.126 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.009 2.031 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.522 2.678 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.313 0.394 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.341 1.494 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.199 1.123 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.345 2.789 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.508 2.006 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.471 3.314 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.761 1.993 -5.555 1.00 0.00 H new ATOM 509 N ILE A 42 -4.587 -1.045 -4.648 1.00 0.00 N ATOM 510 CA ILE A 42 -4.731 -1.678 -5.948 1.00 0.00 C ATOM 511 C ILE A 42 -6.190 -1.711 -6.366 1.00 0.00 C ATOM 512 O ILE A 42 -7.083 -2.072 -5.585 1.00 0.00 O ATOM 513 CB ILE A 42 -4.143 -3.099 -6.012 1.00 0.00 C ATOM 514 CG1 ILE A 42 -3.139 -3.328 -4.882 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.459 -3.307 -7.349 1.00 0.00 C ATOM 516 CD1 ILE A 42 -2.096 -2.239 -4.809 1.00 0.00 C ATOM 0 H ILE A 42 -5.041 -1.539 -3.880 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.154 -1.066 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.958 -3.814 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.671 -3.382 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.647 -4.290 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.043 -4.314 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.184 -3.179 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.657 -2.578 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.408 -2.449 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.543 -2.201 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.583 -1.279 -4.636 1.00 0.00 H new ATOM 528 N GLY A 43 -6.409 -1.294 -7.601 1.00 0.00 N ATOM 529 CA GLY A 43 -7.747 -1.184 -8.141 1.00 0.00 C ATOM 530 C GLY A 43 -8.236 0.252 -8.105 1.00 0.00 C ATOM 531 O GLY A 43 -7.477 1.176 -8.396 1.00 0.00 O ATOM 0 H GLY A 43 -5.670 -1.025 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.759 -1.550 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.426 -1.817 -7.569 1.00 0.00 H new ATOM 535 N GLU A 44 -9.489 0.445 -7.717 1.00 0.00 N ATOM 536 CA GLU A 44 -10.060 1.780 -7.608 1.00 0.00 C ATOM 537 C GLU A 44 -9.781 2.376 -6.227 1.00 0.00 C ATOM 538 O GLU A 44 -9.055 1.796 -5.427 1.00 0.00 O ATOM 539 CB GLU A 44 -11.567 1.711 -7.846 1.00 0.00 C ATOM 540 CG GLU A 44 -12.247 0.615 -7.041 1.00 0.00 C ATOM 541 CD GLU A 44 -12.413 -0.674 -7.825 1.00 0.00 C ATOM 542 OE1 GLU A 44 -12.443 -1.752 -7.195 1.00 0.00 O ATOM 543 OE2 GLU A 44 -12.507 -0.605 -9.068 1.00 0.00 O ATOM 0 H GLU A 44 -10.131 -0.309 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.599 2.420 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.014 2.672 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.754 1.544 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.664 0.416 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.226 0.965 -6.714 1.00 0.00 H new ATOM 550 N SER A 45 -10.377 3.525 -5.945 1.00 0.00 N ATOM 551 CA SER A 45 -10.202 4.181 -4.658 1.00 0.00 C ATOM 552 C SER A 45 -11.482 4.876 -4.228 1.00 0.00 C ATOM 553 O SER A 45 -11.453 5.843 -3.467 1.00 0.00 O ATOM 554 CB SER A 45 -9.079 5.201 -4.749 1.00 0.00 C ATOM 555 OG SER A 45 -9.112 5.891 -5.987 1.00 0.00 O ATOM 0 H SER A 45 -10.988 4.023 -6.592 1.00 0.00 H new ATOM 0 HA SER A 45 -9.951 3.422 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.165 5.915 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.118 4.699 -4.635 1.00 0.00 H new ATOM 0 HG SER A 45 -8.380 6.542 -6.018 1.00 0.00 H new ATOM 561 N LYS A 46 -12.601 4.380 -4.727 1.00 0.00 N ATOM 562 CA LYS A 46 -13.895 4.956 -4.417 1.00 0.00 C ATOM 563 C LYS A 46 -15.012 3.965 -4.707 1.00 0.00 C ATOM 564 O LYS A 46 -15.110 3.431 -5.812 1.00 0.00 O ATOM 565 CB LYS A 46 -14.105 6.229 -5.235 1.00 0.00 C ATOM 566 CG LYS A 46 -13.838 7.502 -4.455 1.00 0.00 C ATOM 567 CD LYS A 46 -15.006 8.469 -4.549 1.00 0.00 C ATOM 568 CE LYS A 46 -14.736 9.570 -5.562 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.994 10.098 -6.157 1.00 0.00 N ATOM 0 H LYS A 46 -12.638 3.575 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.918 5.199 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.451 6.203 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.130 6.248 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.651 7.257 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.936 7.981 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.908 7.926 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.194 8.911 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.194 10.383 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.094 9.185 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.766 10.847 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.499 9.328 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.596 10.489 -5.405 1.00 0.00 H new ATOM 583 N SER A 47 -15.848 3.716 -3.708 1.00 0.00 N ATOM 584 CA SER A 47 -16.970 2.807 -3.870 1.00 0.00 C ATOM 585 C SER A 47 -18.228 3.589 -4.207 1.00 0.00 C ATOM 586 O SER A 47 -18.376 4.737 -3.803 1.00 0.00 O ATOM 587 CB SER A 47 -17.185 1.988 -2.598 1.00 0.00 C ATOM 588 OG SER A 47 -16.449 0.778 -2.641 1.00 0.00 O ATOM 0 H SER A 47 -15.769 4.131 -2.779 1.00 0.00 H new ATOM 0 HA SER A 47 -16.747 2.122 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.880 2.572 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.246 1.768 -2.478 1.00 0.00 H new ATOM 0 HG SER A 47 -15.607 0.890 -2.153 1.00 0.00 H new ATOM 594 N TYR A 48 -19.122 2.972 -4.961 1.00 0.00 N ATOM 595 CA TYR A 48 -20.354 3.630 -5.368 1.00 0.00 C ATOM 596 C TYR A 48 -21.577 2.833 -4.931 1.00 0.00 C ATOM 597 O TYR A 48 -21.691 1.640 -5.213 1.00 0.00 O ATOM 598 CB TYR A 48 -20.369 3.830 -6.883 1.00 0.00 C ATOM 599 CG TYR A 48 -19.018 4.207 -7.445 1.00 0.00 C ATOM 600 CD1 TYR A 48 -18.295 5.265 -6.909 1.00 0.00 C ATOM 601 CD2 TYR A 48 -18.458 3.494 -8.495 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.055 5.609 -7.412 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.220 3.834 -9.007 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.521 4.889 -8.459 1.00 0.00 C ATOM 605 OH TYR A 48 -15.286 5.228 -8.964 1.00 0.00 O ATOM 0 H TYR A 48 -19.019 2.017 -5.304 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.394 4.603 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -20.711 2.912 -7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.090 4.608 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.709 5.828 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.998 2.660 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.507 6.437 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.802 3.276 -9.832 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.055 4.621 -9.698 1.00 0.00 H new ATOM 615 N CYS A 49 -22.483 3.506 -4.234 1.00 0.00 N ATOM 616 CA CYS A 49 -23.713 2.885 -3.763 1.00 0.00 C ATOM 617 C CYS A 49 -24.696 2.732 -4.914 1.00 0.00 C ATOM 618 O CYS A 49 -25.470 3.642 -5.213 1.00 0.00 O ATOM 619 CB CYS A 49 -24.329 3.721 -2.639 1.00 0.00 C ATOM 620 SG CYS A 49 -26.033 3.256 -2.189 1.00 0.00 S ATOM 0 H CYS A 49 -22.387 4.489 -3.981 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.481 1.895 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.698 3.636 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.320 4.769 -2.938 1.00 0.00 H new ATOM 625 N GLU A 50 -24.643 1.581 -5.565 1.00 0.00 N ATOM 626 CA GLU A 50 -25.497 1.314 -6.713 1.00 0.00 C ATOM 627 C GLU A 50 -26.457 0.162 -6.443 1.00 0.00 C ATOM 628 O GLU A 50 -26.431 -0.451 -5.376 1.00 0.00 O ATOM 629 CB GLU A 50 -24.638 1.001 -7.936 1.00 0.00 C ATOM 630 CG GLU A 50 -24.365 2.215 -8.808 1.00 0.00 C ATOM 631 CD GLU A 50 -22.928 2.281 -9.285 1.00 0.00 C ATOM 632 OE1 GLU A 50 -22.069 1.612 -8.675 1.00 0.00 O ATOM 633 OE2 GLU A 50 -22.661 3.003 -10.269 1.00 0.00 O ATOM 0 H GLU A 50 -24.017 0.815 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.093 2.207 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.689 0.579 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.135 0.237 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.030 2.194 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.599 3.120 -8.248 1.00 0.00 H new ATOM 640 N LEU A 51 -27.302 -0.126 -7.427 1.00 0.00 N ATOM 641 CA LEU A 51 -28.288 -1.191 -7.311 1.00 0.00 C ATOM 642 C LEU A 51 -27.673 -2.556 -7.583 1.00 0.00 C ATOM 643 O LEU A 51 -26.664 -2.670 -8.280 1.00 0.00 O ATOM 644 CB LEU A 51 -29.439 -0.947 -8.286 1.00 0.00 C ATOM 645 CG LEU A 51 -30.646 -0.239 -7.682 1.00 0.00 C ATOM 646 CD1 LEU A 51 -31.504 0.384 -8.774 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.465 -1.206 -6.840 1.00 0.00 C ATOM 0 H LEU A 51 -27.322 0.368 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.663 -1.184 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -29.069 -0.355 -9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -29.763 -1.905 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 51 -30.287 0.560 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -32.361 0.885 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -30.912 1.110 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -31.854 -0.396 -9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -32.323 -0.683 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -31.813 -2.028 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -30.846 -1.600 -6.034 1.00 0.00 H new ATOM 709 N MET A 57 -30.168 -2.619 -3.043 1.00 0.00 N ATOM 710 CA MET A 57 -29.127 -1.610 -2.889 1.00 0.00 C ATOM 711 C MET A 57 -27.801 -2.253 -2.499 1.00 0.00 C ATOM 712 O MET A 57 -27.688 -2.882 -1.447 1.00 0.00 O ATOM 713 CB MET A 57 -29.528 -0.575 -1.837 1.00 0.00 C ATOM 714 CG MET A 57 -30.989 -0.160 -1.907 1.00 0.00 C ATOM 715 SD MET A 57 -31.207 1.507 -2.558 1.00 0.00 S ATOM 716 CE MET A 57 -31.889 1.154 -4.175 1.00 0.00 C ATOM 0 HA MET A 57 -29.005 -1.109 -3.849 1.00 0.00 H new ATOM 0 HB2 MET A 57 -29.323 -0.980 -0.846 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.903 0.310 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.533 -0.865 -2.535 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.427 -0.217 -0.910 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.322 2.062 -4.593 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.098 0.793 -4.833 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.662 0.391 -4.085 1.00 0.00 H new ATOM 726 N VAL A 58 -26.801 -2.089 -3.356 1.00 0.00 N ATOM 727 CA VAL A 58 -25.477 -2.645 -3.106 1.00 0.00 C ATOM 728 C VAL A 58 -24.393 -1.604 -3.360 1.00 0.00 C ATOM 729 O VAL A 58 -24.690 -0.444 -3.647 1.00 0.00 O ATOM 730 CB VAL A 58 -25.211 -3.880 -3.983 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.140 -5.020 -3.595 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.369 -3.526 -5.451 1.00 0.00 C ATOM 0 H VAL A 58 -26.882 -1.574 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.449 -2.946 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.185 -4.211 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.937 -5.885 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.974 -5.285 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.175 -4.707 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.178 -4.409 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.384 -3.172 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.659 -2.742 -5.715 1.00 0.00 H new ATOM 742 N TRP A 59 -23.136 -2.019 -3.249 1.00 0.00 N ATOM 743 CA TRP A 59 -22.015 -1.114 -3.458 1.00 0.00 C ATOM 744 C TRP A 59 -21.119 -1.606 -4.591 1.00 0.00 C ATOM 745 O TRP A 59 -20.858 -2.803 -4.716 1.00 0.00 O ATOM 746 CB TRP A 59 -21.206 -0.976 -2.169 1.00 0.00 C ATOM 747 CG TRP A 59 -21.914 -0.191 -1.108 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.773 -0.676 -0.162 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.822 1.219 -0.883 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.219 0.347 0.640 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.650 1.522 0.215 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.123 2.256 -1.506 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.790 2.819 0.702 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.262 3.540 -1.019 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.089 3.811 0.072 1.00 0.00 C ATOM 0 H TRP A 59 -22.869 -2.975 -3.016 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.411 -0.138 -3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -20.976 -1.970 -1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.255 -0.494 -2.395 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.060 -1.712 -0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.866 0.249 1.422 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.485 2.056 -2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.428 3.034 1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.722 4.348 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.178 4.827 0.427 1.00 0.00 H new ATOM 766 N ASN A 60 -20.656 -0.673 -5.418 1.00 0.00 N ATOM 767 CA ASN A 60 -19.800 -1.009 -6.551 1.00 0.00 C ATOM 768 C ASN A 60 -18.826 0.125 -6.854 1.00 0.00 C ATOM 769 O ASN A 60 -19.198 1.293 -6.794 1.00 0.00 O ATOM 770 CB ASN A 60 -20.656 -1.291 -7.784 1.00 0.00 C ATOM 771 CG ASN A 60 -20.850 -2.771 -8.023 1.00 0.00 C ATOM 772 OD1 ASN A 60 -21.143 -3.133 -9.263 1.00 0.00 O flip ATOM 773 ND2 ASN A 60 -20.738 -3.581 -7.103 1.00 0.00 N flip ATOM 0 H ASN A 60 -20.859 0.322 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.226 -1.899 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.629 -0.814 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.186 -0.843 -8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.511 -3.257 -6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.872 -4.576 -7.281 1.00 0.00 H new ATOM 780 N PRO A 61 -17.562 -0.195 -7.195 1.00 0.00 N ATOM 781 CA PRO A 61 -17.066 -1.571 -7.324 1.00 0.00 C ATOM 782 C PRO A 61 -16.819 -2.239 -5.972 1.00 0.00 C ATOM 783 O PRO A 61 -17.475 -1.919 -4.981 1.00 0.00 O ATOM 784 CB PRO A 61 -15.744 -1.410 -8.097 1.00 0.00 C ATOM 785 CG PRO A 61 -15.698 0.019 -8.531 1.00 0.00 C ATOM 786 CD PRO A 61 -16.519 0.775 -7.533 1.00 0.00 C ATOM 0 HA PRO A 61 -17.791 -2.213 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.890 -1.655 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.709 -2.081 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.673 0.388 -8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.101 0.135 -9.537 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -15.934 1.065 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.935 1.689 -7.956 1.00 0.00 H new ATOM 794 N GLU A 62 -15.879 -3.183 -5.947 1.00 0.00 N ATOM 795 CA GLU A 62 -15.553 -3.914 -4.727 1.00 0.00 C ATOM 796 C GLU A 62 -14.953 -2.976 -3.670 1.00 0.00 C ATOM 797 O GLU A 62 -15.526 -1.923 -3.389 1.00 0.00 O ATOM 798 CB GLU A 62 -14.613 -5.074 -5.053 1.00 0.00 C ATOM 799 CG GLU A 62 -15.103 -5.957 -6.184 1.00 0.00 C ATOM 800 CD GLU A 62 -16.240 -6.867 -5.762 1.00 0.00 C ATOM 801 OE1 GLU A 62 -16.014 -7.736 -4.893 1.00 0.00 O ATOM 802 OE2 GLU A 62 -17.357 -6.710 -6.299 1.00 0.00 O ATOM 0 H GLU A 62 -15.330 -3.459 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.469 -4.327 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.634 -4.674 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.480 -5.684 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.432 -5.330 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.275 -6.563 -6.552 1.00 0.00 H new ATOM 809 N ALA A 63 -13.817 -3.347 -3.066 1.00 0.00 N ATOM 810 CA ALA A 63 -13.213 -2.533 -2.048 1.00 0.00 C ATOM 811 C ALA A 63 -12.596 -1.309 -2.606 1.00 0.00 C ATOM 812 O ALA A 63 -13.174 -0.237 -2.448 1.00 0.00 O ATOM 813 CB ALA A 63 -12.250 -3.343 -1.201 1.00 0.00 C ATOM 0 H ALA A 63 -13.312 -4.208 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.007 -2.189 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.808 -2.701 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.787 -4.160 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.462 -3.750 -1.835 1.00 0.00 H new ATOM 819 N PRO A 64 -11.388 -1.343 -3.130 1.00 0.00 N ATOM 820 CA PRO A 64 -10.599 -2.532 -3.477 1.00 0.00 C ATOM 821 C PRO A 64 -9.480 -2.866 -2.471 1.00 0.00 C ATOM 822 O PRO A 64 -9.653 -2.718 -1.268 1.00 0.00 O ATOM 823 CB PRO A 64 -10.038 -2.093 -4.826 1.00 0.00 C ATOM 824 CG PRO A 64 -9.789 -0.640 -4.644 1.00 0.00 C ATOM 825 CD PRO A 64 -10.816 -0.151 -3.663 1.00 0.00 C ATOM 0 HA PRO A 64 -11.181 -3.453 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.122 -2.629 -5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.745 -2.281 -5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.780 -0.463 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.875 -0.110 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.361 0.457 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.569 0.468 -4.151 1.00 0.00 H new ATOM 833 N ILE A 65 -8.347 -3.375 -2.961 1.00 0.00 N ATOM 834 CA ILE A 65 -7.272 -3.833 -2.075 1.00 0.00 C ATOM 835 C ILE A 65 -6.243 -2.755 -1.752 1.00 0.00 C ATOM 836 O ILE A 65 -6.299 -1.633 -2.257 1.00 0.00 O ATOM 837 CB ILE A 65 -6.521 -5.054 -2.655 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.430 -4.970 -4.181 1.00 0.00 C ATOM 839 CG2 ILE A 65 -7.196 -6.348 -2.230 1.00 0.00 C ATOM 840 CD1 ILE A 65 -5.415 -5.915 -4.783 1.00 0.00 C ATOM 0 H ILE A 65 -8.150 -3.480 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.785 -4.109 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.507 -5.046 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.410 -5.185 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.176 -3.949 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.653 -7.196 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.196 -6.418 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.223 -6.359 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.407 -5.798 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.426 -5.687 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.679 -6.942 -4.530 1.00 0.00 H new ATOM 852 N CYS A 66 -5.296 -3.140 -0.898 1.00 0.00 N ATOM 853 CA CYS A 66 -4.205 -2.275 -0.467 1.00 0.00 C ATOM 854 C CYS A 66 -3.056 -3.127 0.054 1.00 0.00 C ATOM 855 O CYS A 66 -3.183 -3.796 1.079 1.00 0.00 O ATOM 856 CB CYS A 66 -4.669 -1.327 0.634 1.00 0.00 C ATOM 857 SG CYS A 66 -5.147 0.329 0.048 1.00 0.00 S ATOM 0 H CYS A 66 -5.267 -4.071 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.874 -1.684 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.518 -1.776 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.870 -1.223 1.368 1.00 0.00 H new ATOM 862 N GLU A 67 -1.950 -3.123 -0.670 1.00 0.00 N ATOM 863 CA GLU A 67 -0.794 -3.928 -0.292 1.00 0.00 C ATOM 864 C GLU A 67 0.283 -3.076 0.367 1.00 0.00 C ATOM 865 O GLU A 67 0.148 -1.858 0.478 1.00 0.00 O ATOM 866 CB GLU A 67 -0.222 -4.633 -1.523 1.00 0.00 C ATOM 867 CG GLU A 67 -0.270 -6.150 -1.435 1.00 0.00 C ATOM 868 CD GLU A 67 0.414 -6.824 -2.607 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.384 -6.246 -3.141 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.020 -7.930 -2.992 1.00 0.00 O ATOM 0 H GLU A 67 -1.825 -2.574 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.125 -4.673 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.776 -4.311 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.812 -4.318 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.205 -6.472 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.309 -6.475 -1.390 1.00 0.00 H new ATOM 877 N SER A 68 1.353 -3.729 0.809 1.00 0.00 N ATOM 878 CA SER A 68 2.461 -3.033 1.448 1.00 0.00 C ATOM 879 C SER A 68 3.579 -2.767 0.451 1.00 0.00 C ATOM 880 O SER A 68 4.117 -3.690 -0.160 1.00 0.00 O ATOM 881 CB SER A 68 3.000 -3.847 2.629 1.00 0.00 C ATOM 882 OG SER A 68 4.051 -4.707 2.222 1.00 0.00 O ATOM 0 H SER A 68 1.475 -4.739 0.736 1.00 0.00 H new ATOM 0 HA SER A 68 2.088 -2.078 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.359 -3.172 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.194 -4.436 3.066 1.00 0.00 H new ATOM 0 HG SER A 68 4.044 -4.793 1.246 1.00 0.00 H new ATOM 888 N VAL A 69 3.934 -1.498 0.306 1.00 0.00 N ATOM 889 CA VAL A 69 4.999 -1.092 -0.601 1.00 0.00 C ATOM 890 C VAL A 69 6.225 -1.989 -0.454 1.00 0.00 C ATOM 891 O VAL A 69 7.049 -1.792 0.439 1.00 0.00 O ATOM 892 CB VAL A 69 5.412 0.361 -0.340 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.713 0.550 1.133 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.329 1.321 -0.799 1.00 0.00 C ATOM 0 H VAL A 69 3.496 -0.726 0.809 1.00 0.00 H new ATOM 0 HA VAL A 69 4.610 -1.185 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 69 6.313 0.580 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.006 1.584 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.824 0.317 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.526 -0.114 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.645 2.346 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.157 1.192 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.407 1.116 -0.256 1.00 0.00 H new ATOM 904 N LYS A 70 6.331 -2.977 -1.333 1.00 0.00 N ATOM 905 CA LYS A 70 7.443 -3.920 -1.296 1.00 0.00 C ATOM 906 C LYS A 70 8.660 -3.376 -2.037 1.00 0.00 C ATOM 907 O LYS A 70 8.627 -3.194 -3.254 1.00 0.00 O ATOM 908 CB LYS A 70 7.025 -5.252 -1.913 1.00 0.00 C ATOM 909 CG LYS A 70 6.396 -6.209 -0.919 1.00 0.00 C ATOM 910 CD LYS A 70 7.348 -7.338 -0.575 1.00 0.00 C ATOM 911 CE LYS A 70 7.309 -7.678 0.906 1.00 0.00 C ATOM 912 NZ LYS A 70 7.377 -9.146 1.141 1.00 0.00 N ATOM 0 H LYS A 70 5.660 -3.147 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 70 7.715 -4.069 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.318 -5.063 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.899 -5.727 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.123 -5.670 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.476 -6.619 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.089 -8.222 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.363 -7.056 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.142 -7.190 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.393 -7.282 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.348 -9.336 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.568 -9.609 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.263 -9.520 0.745 1.00 0.00 H new ATOM 926 N CYS A 71 9.743 -3.144 -1.302 1.00 0.00 N ATOM 927 CA CYS A 71 10.984 -2.667 -1.902 1.00 0.00 C ATOM 928 C CYS A 71 11.914 -3.841 -2.168 1.00 0.00 C ATOM 929 O CYS A 71 12.303 -4.561 -1.249 1.00 0.00 O ATOM 930 CB CYS A 71 11.699 -1.634 -1.014 1.00 0.00 C ATOM 931 SG CYS A 71 10.775 -1.084 0.463 1.00 0.00 S ATOM 0 H CYS A 71 9.786 -3.278 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 71 10.724 -2.175 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.649 -2.058 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.931 -0.759 -1.621 1.00 0.00 H new ATOM 936 N GLN A 72 12.252 -4.037 -3.433 1.00 0.00 N ATOM 937 CA GLN A 72 13.124 -5.131 -3.827 1.00 0.00 C ATOM 938 C GLN A 72 14.548 -4.884 -3.339 1.00 0.00 C ATOM 939 O GLN A 72 14.762 -4.131 -2.388 1.00 0.00 O ATOM 940 CB GLN A 72 13.094 -5.293 -5.348 1.00 0.00 C ATOM 941 CG GLN A 72 13.787 -4.168 -6.098 1.00 0.00 C ATOM 942 CD GLN A 72 12.887 -2.968 -6.313 1.00 0.00 C ATOM 943 OE1 GLN A 72 11.917 -3.033 -7.068 1.00 0.00 O ATOM 944 NE2 GLN A 72 13.204 -1.863 -5.648 1.00 0.00 N ATOM 0 H GLN A 72 11.935 -3.451 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 72 12.766 -6.052 -3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.567 -6.239 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.057 -5.352 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.673 -3.858 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.130 -4.538 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.017 -1.854 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.634 -1.024 -5.753 1.00 0.00 H new ATOM 953 N SER A 73 15.521 -5.518 -3.986 1.00 0.00 N ATOM 954 CA SER A 73 16.915 -5.356 -3.602 1.00 0.00 C ATOM 955 C SER A 73 17.280 -3.876 -3.502 1.00 0.00 C ATOM 956 O SER A 73 16.856 -3.069 -4.330 1.00 0.00 O ATOM 957 CB SER A 73 17.828 -6.052 -4.614 1.00 0.00 C ATOM 958 OG SER A 73 19.123 -5.475 -4.621 1.00 0.00 O ATOM 0 H SER A 73 15.369 -6.146 -4.775 1.00 0.00 H new ATOM 0 HA SER A 73 17.055 -5.815 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.901 -7.112 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.391 -5.982 -5.610 1.00 0.00 H new ATOM 0 HG SER A 73 19.690 -5.937 -3.969 1.00 0.00 H new ATOM 964 N PRO A 74 18.059 -3.493 -2.476 1.00 0.00 N ATOM 965 CA PRO A 74 18.460 -2.098 -2.273 1.00 0.00 C ATOM 966 C PRO A 74 19.217 -1.538 -3.476 1.00 0.00 C ATOM 967 O PRO A 74 19.791 -2.290 -4.263 1.00 0.00 O ATOM 968 CB PRO A 74 19.365 -2.145 -1.037 1.00 0.00 C ATOM 969 CG PRO A 74 19.043 -3.436 -0.362 1.00 0.00 C ATOM 970 CD PRO A 74 18.604 -4.384 -1.439 1.00 0.00 C ATOM 0 HA PRO A 74 17.597 -1.444 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.417 -2.100 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.175 -1.298 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.914 -3.825 0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.256 -3.300 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.437 -4.977 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.852 -5.085 -1.076 1.00 0.00 H new ATOM 978 N PRO A 75 19.213 -0.204 -3.642 1.00 0.00 N ATOM 979 CA PRO A 75 19.883 0.454 -4.766 1.00 0.00 C ATOM 980 C PRO A 75 21.312 -0.026 -4.967 1.00 0.00 C ATOM 981 O PRO A 75 21.956 -0.512 -4.037 1.00 0.00 O ATOM 982 CB PRO A 75 19.872 1.928 -4.368 1.00 0.00 C ATOM 983 CG PRO A 75 18.677 2.072 -3.494 1.00 0.00 C ATOM 984 CD PRO A 75 18.539 0.766 -2.758 1.00 0.00 C ATOM 0 HA PRO A 75 19.382 0.243 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.785 2.203 -3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.803 2.574 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.801 2.901 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.785 2.283 -4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 75 19.010 0.808 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.493 0.504 -2.599 1.00 0.00 H new ATOM 992 N SER A 76 21.803 0.127 -6.190 1.00 0.00 N ATOM 993 CA SER A 76 23.166 -0.257 -6.526 1.00 0.00 C ATOM 994 C SER A 76 24.059 0.975 -6.579 1.00 0.00 C ATOM 995 O SER A 76 24.171 1.628 -7.617 1.00 0.00 O ATOM 996 CB SER A 76 23.199 -0.986 -7.870 1.00 0.00 C ATOM 997 OG SER A 76 22.508 -2.221 -7.799 1.00 0.00 O ATOM 0 H SER A 76 21.273 0.517 -6.969 1.00 0.00 H new ATOM 0 HA SER A 76 23.537 -0.931 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.749 -0.358 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.233 -1.161 -8.167 1.00 0.00 H new ATOM 0 HG SER A 76 22.543 -2.666 -8.672 1.00 0.00 H new ATOM 1003 N ILE A 77 24.690 1.290 -5.455 1.00 0.00 N ATOM 1004 CA ILE A 77 25.549 2.464 -5.370 1.00 0.00 C ATOM 1005 C ILE A 77 26.810 2.287 -6.201 1.00 0.00 C ATOM 1006 O ILE A 77 27.135 1.180 -6.632 1.00 0.00 O ATOM 1007 CB ILE A 77 25.946 2.769 -3.914 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.773 1.620 -3.330 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.705 3.022 -3.078 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.784 2.066 -2.294 1.00 0.00 C ATOM 0 H ILE A 77 24.623 0.751 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 77 24.973 3.301 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 77 26.562 3.668 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.099 0.892 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.296 1.111 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.996 3.237 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.159 3.873 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.067 2.138 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.333 1.200 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.481 2.771 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.267 2.548 -1.465 1.00 0.00 H new ATOM 1022 N SER A 78 27.507 3.390 -6.434 1.00 0.00 N ATOM 1023 CA SER A 78 28.732 3.365 -7.221 1.00 0.00 C ATOM 1024 C SER A 78 29.895 2.825 -6.398 1.00 0.00 C ATOM 1025 O SER A 78 30.026 3.132 -5.213 1.00 0.00 O ATOM 1026 CB SER A 78 29.062 4.766 -7.736 1.00 0.00 C ATOM 1027 OG SER A 78 27.930 5.369 -8.337 1.00 0.00 O ATOM 0 H SER A 78 27.245 4.314 -6.089 1.00 0.00 H new ATOM 0 HA SER A 78 28.574 2.702 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.413 5.386 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 78 29.875 4.708 -8.460 1.00 0.00 H new ATOM 0 HG SER A 78 28.167 6.265 -8.656 1.00 0.00 H new ATOM 1033 N ASN A 79 30.732 2.016 -7.034 1.00 0.00 N ATOM 1034 CA ASN A 79 31.885 1.431 -6.365 1.00 0.00 C ATOM 1035 C ASN A 79 31.472 0.725 -5.080 1.00 0.00 C ATOM 1036 O ASN A 79 32.264 0.598 -4.146 1.00 0.00 O ATOM 1037 CB ASN A 79 32.923 2.512 -6.057 1.00 0.00 C ATOM 1038 CG ASN A 79 33.054 3.528 -7.173 1.00 0.00 C ATOM 1039 OD1 ASN A 79 33.450 3.193 -8.290 1.00 0.00 O ATOM 1040 ND2 ASN A 79 32.728 4.779 -6.875 1.00 0.00 N ATOM 0 H ASN A 79 30.633 1.750 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 79 32.325 0.693 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.647 3.024 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.891 2.042 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 79 32.801 5.508 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.404 5.012 -5.936 1.00 0.00 H new ATOM 1047 N GLY A 80 30.229 0.258 -5.042 1.00 0.00 N ATOM 1048 CA GLY A 80 29.737 -0.437 -3.868 1.00 0.00 C ATOM 1049 C GLY A 80 28.500 -1.267 -4.153 1.00 0.00 C ATOM 1050 O GLY A 80 28.161 -1.513 -5.311 1.00 0.00 O ATOM 0 H GLY A 80 29.555 0.348 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.522 -1.085 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.509 0.291 -3.089 1.00 0.00 H new ATOM 1054 N ARG A 81 27.832 -1.708 -3.092 1.00 0.00 N ATOM 1055 CA ARG A 81 26.639 -2.535 -3.223 1.00 0.00 C ATOM 1056 C ARG A 81 25.942 -2.700 -1.880 1.00 0.00 C ATOM 1057 O ARG A 81 26.344 -2.105 -0.880 1.00 0.00 O ATOM 1058 CB ARG A 81 27.000 -3.911 -3.790 1.00 0.00 C ATOM 1059 CG ARG A 81 28.302 -4.480 -3.249 1.00 0.00 C ATOM 1060 CD ARG A 81 28.966 -5.401 -4.258 1.00 0.00 C ATOM 1061 NE ARG A 81 30.168 -6.027 -3.718 1.00 0.00 N ATOM 1062 CZ ARG A 81 30.887 -6.929 -4.377 1.00 0.00 C ATOM 1063 NH1 ARG A 81 30.526 -7.307 -5.595 1.00 0.00 N ATOM 1064 NH2 ARG A 81 31.969 -7.453 -3.817 1.00 0.00 N ATOM 0 H ARG A 81 28.098 -1.505 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 81 25.958 -2.033 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.191 -4.607 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.070 -3.838 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.980 -3.665 -2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.106 -5.028 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.260 -6.174 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.223 -4.834 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 81 30.473 -5.757 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 81 29.695 -6.905 -6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 81 31.080 -8.000 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.249 -7.163 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 81 32.521 -8.146 -4.323 1.00 0.00 H new ATOM 1078 N HIS A 82 24.905 -3.526 -1.864 1.00 0.00 N ATOM 1079 CA HIS A 82 24.139 -3.770 -0.651 1.00 0.00 C ATOM 1080 C HIS A 82 24.511 -5.106 -0.012 1.00 0.00 C ATOM 1081 O HIS A 82 25.352 -5.847 -0.521 1.00 0.00 O ATOM 1082 CB HIS A 82 22.644 -3.746 -0.965 1.00 0.00 C ATOM 1083 CG HIS A 82 22.258 -4.651 -2.093 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.339 -6.026 -2.018 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.794 -4.371 -3.334 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.938 -6.552 -3.161 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.602 -5.569 -3.976 1.00 0.00 N ATOM 0 H HIS A 82 24.574 -4.040 -2.681 1.00 0.00 H new ATOM 0 HA HIS A 82 24.378 -2.978 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.088 -4.033 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.348 -2.726 -1.210 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.609 -3.388 -3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.893 -7.606 -3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.256 -5.682 -4.929 1.00 0.00 H new ATOM 1096 N ASN A 83 23.863 -5.396 1.107 1.00 0.00 N ATOM 1097 CA ASN A 83 24.090 -6.624 1.860 1.00 0.00 C ATOM 1098 C ASN A 83 22.763 -7.280 2.184 1.00 0.00 C ATOM 1099 O ASN A 83 22.634 -7.981 3.188 1.00 0.00 O ATOM 1100 CB ASN A 83 24.800 -6.294 3.169 1.00 0.00 C ATOM 1101 CG ASN A 83 25.136 -7.509 4.001 1.00 0.00 C ATOM 1102 OD1 ASN A 83 25.360 -8.600 3.478 1.00 0.00 O ATOM 1103 ND2 ASN A 83 25.167 -7.317 5.315 1.00 0.00 N ATOM 0 H ASN A 83 23.161 -4.783 1.522 1.00 0.00 H new ATOM 0 HA ASN A 83 24.701 -7.299 1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 83 25.719 -5.751 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 83 24.169 -5.626 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 83 25.384 -8.094 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 83 24.974 -6.392 5.700 1.00 0.00 H new ATOM 1165 N PHE A 88 13.005 -9.411 -0.915 1.00 0.00 N ATOM 1166 CA PHE A 88 12.135 -8.247 -0.920 1.00 0.00 C ATOM 1167 C PHE A 88 12.164 -7.547 0.431 1.00 0.00 C ATOM 1168 O PHE A 88 12.679 -8.091 1.409 1.00 0.00 O ATOM 1169 CB PHE A 88 10.709 -8.657 -1.270 1.00 0.00 C ATOM 1170 CG PHE A 88 10.423 -8.599 -2.736 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.656 -9.696 -3.547 1.00 0.00 C ATOM 1172 CD2 PHE A 88 9.937 -7.438 -3.306 1.00 0.00 C ATOM 1173 CE1 PHE A 88 10.398 -9.637 -4.902 1.00 0.00 C ATOM 1174 CE2 PHE A 88 9.677 -7.370 -4.657 1.00 0.00 C ATOM 1175 CZ PHE A 88 9.907 -8.472 -5.459 1.00 0.00 C ATOM 0 HA PHE A 88 12.498 -7.550 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.531 -9.671 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.011 -8.006 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.043 -10.607 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.759 -6.573 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.580 -10.500 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.294 -6.457 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.703 -8.422 -6.518 1.00 0.00 H new ATOM 1185 N TYR A 89 11.642 -6.327 0.477 1.00 0.00 N ATOM 1186 CA TYR A 89 11.636 -5.554 1.713 1.00 0.00 C ATOM 1187 C TYR A 89 10.380 -4.698 1.819 1.00 0.00 C ATOM 1188 O TYR A 89 9.672 -4.493 0.834 1.00 0.00 O ATOM 1189 CB TYR A 89 12.881 -4.667 1.787 1.00 0.00 C ATOM 1190 CG TYR A 89 14.185 -5.427 1.684 1.00 0.00 C ATOM 1191 CD1 TYR A 89 14.609 -5.974 0.477 1.00 0.00 C ATOM 1192 CD2 TYR A 89 14.996 -5.590 2.798 1.00 0.00 C ATOM 1193 CE1 TYR A 89 15.803 -6.660 0.387 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.196 -6.271 2.713 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.591 -6.805 1.506 1.00 0.00 C ATOM 1196 OH TYR A 89 17.777 -7.490 1.419 1.00 0.00 O ATOM 0 H TYR A 89 11.220 -5.854 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 89 11.644 -6.254 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.838 -3.930 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.867 -4.116 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.994 -5.860 -0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.685 -5.178 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.117 -7.081 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.820 -6.384 3.587 1.00 0.00 H new ATOM 0 HH TYR A 89 18.213 -7.501 2.296 1.00 0.00 H new ATOM 1206 N THR A 90 10.113 -4.196 3.021 1.00 0.00 N ATOM 1207 CA THR A 90 8.933 -3.373 3.257 1.00 0.00 C ATOM 1208 C THR A 90 9.187 -2.313 4.323 1.00 0.00 C ATOM 1209 O THR A 90 10.305 -2.160 4.813 1.00 0.00 O ATOM 1210 CB THR A 90 7.756 -4.254 3.673 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.160 -5.214 4.634 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.145 -4.993 2.510 1.00 0.00 C ATOM 0 H THR A 90 10.697 -4.345 3.844 1.00 0.00 H new ATOM 0 HA THR A 90 8.696 -2.860 2.325 1.00 0.00 H new ATOM 0 HB THR A 90 7.011 -3.577 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.391 -5.766 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.314 -5.603 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.782 -4.276 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.897 -5.635 2.051 1.00 0.00 H new ATOM 1220 N ASP A 91 8.135 -1.581 4.673 1.00 0.00 N ATOM 1221 CA ASP A 91 8.232 -0.523 5.664 1.00 0.00 C ATOM 1222 C ASP A 91 8.811 -1.030 6.969 1.00 0.00 C ATOM 1223 O ASP A 91 8.089 -1.511 7.842 1.00 0.00 O ATOM 1224 CB ASP A 91 6.863 0.098 5.921 1.00 0.00 C ATOM 1225 CG ASP A 91 5.801 -0.940 6.225 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.567 -1.820 5.370 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.198 -0.870 7.317 1.00 0.00 O ATOM 0 H ASP A 91 7.202 -1.704 4.281 1.00 0.00 H new ATOM 0 HA ASP A 91 8.905 0.235 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.935 0.795 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.561 0.677 5.048 1.00 0.00 H new ATOM 1232 N GLY A 92 10.116 -0.883 7.105 1.00 0.00 N ATOM 1233 CA GLY A 92 10.775 -1.273 8.330 1.00 0.00 C ATOM 1234 C GLY A 92 11.935 -2.227 8.116 1.00 0.00 C ATOM 1235 O GLY A 92 12.276 -2.997 9.014 1.00 0.00 O ATOM 0 H GLY A 92 10.732 -0.500 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.139 -0.380 8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.047 -1.742 8.992 1.00 0.00 H new ATOM 1239 N SER A 93 12.550 -2.187 6.937 1.00 0.00 N ATOM 1240 CA SER A 93 13.680 -3.067 6.657 1.00 0.00 C ATOM 1241 C SER A 93 14.983 -2.279 6.567 1.00 0.00 C ATOM 1242 O SER A 93 14.984 -1.098 6.222 1.00 0.00 O ATOM 1243 CB SER A 93 13.449 -3.845 5.361 1.00 0.00 C ATOM 1244 OG SER A 93 12.094 -3.778 4.957 1.00 0.00 O ATOM 0 H SER A 93 12.290 -1.565 6.171 1.00 0.00 H new ATOM 0 HA SER A 93 13.762 -3.773 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.086 -3.442 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.738 -4.886 5.503 1.00 0.00 H new ATOM 0 HG SER A 93 11.878 -2.861 4.689 1.00 0.00 H new ATOM 1250 N VAL A 94 16.092 -2.942 6.884 1.00 0.00 N ATOM 1251 CA VAL A 94 17.403 -2.309 6.826 1.00 0.00 C ATOM 1252 C VAL A 94 18.465 -3.298 6.367 1.00 0.00 C ATOM 1253 O VAL A 94 18.526 -4.432 6.842 1.00 0.00 O ATOM 1254 CB VAL A 94 17.814 -1.712 8.190 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.863 -0.596 8.577 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.253 -1.202 8.161 1.00 0.00 C ATOM 0 H VAL A 94 16.107 -3.917 7.183 1.00 0.00 H new ATOM 0 HA VAL A 94 17.328 -1.497 6.103 1.00 0.00 H new ATOM 0 HB VAL A 94 17.757 -2.503 8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.161 -0.182 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.894 0.187 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.850 -0.991 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.512 -0.788 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.926 -2.026 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.349 -0.427 7.400 1.00 0.00 H new ATOM 1266 N VAL A 95 19.325 -2.839 5.472 1.00 0.00 N ATOM 1267 CA VAL A 95 20.384 -3.654 4.945 1.00 0.00 C ATOM 1268 C VAL A 95 21.692 -2.873 4.926 1.00 0.00 C ATOM 1269 O VAL A 95 21.691 -1.650 4.791 1.00 0.00 O ATOM 1270 CB VAL A 95 20.024 -4.156 3.537 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.236 -3.102 2.462 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.585 -4.644 3.508 1.00 0.00 C ATOM 0 H VAL A 95 19.300 -1.891 5.097 1.00 0.00 H new ATOM 0 HA VAL A 95 20.514 -4.522 5.592 1.00 0.00 H new ATOM 0 HB VAL A 95 20.701 -4.981 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 95 19.965 -3.514 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 95 19.612 -2.234 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.283 -2.801 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.341 -4.997 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.463 -5.460 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.918 -3.825 3.777 1.00 0.00 H new ATOM 1282 N THR A 96 22.799 -3.576 5.073 1.00 0.00 N ATOM 1283 CA THR A 96 24.098 -2.929 5.077 1.00 0.00 C ATOM 1284 C THR A 96 24.681 -2.878 3.674 1.00 0.00 C ATOM 1285 O THR A 96 24.395 -3.723 2.845 1.00 0.00 O ATOM 1286 CB THR A 96 25.046 -3.667 6.023 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.344 -4.648 6.768 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.736 -2.749 7.008 1.00 0.00 C ATOM 0 H THR A 96 22.826 -4.589 5.191 1.00 0.00 H new ATOM 0 HA THR A 96 23.974 -1.905 5.428 1.00 0.00 H new ATOM 0 HB THR A 96 25.802 -4.123 5.383 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.966 -5.111 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 96 26.394 -3.334 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 96 26.323 -2.008 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.988 -2.243 7.619 1.00 0.00 H new ATOM 1296 N TYR A 97 25.471 -1.860 3.402 1.00 0.00 N ATOM 1297 CA TYR A 97 26.082 -1.710 2.092 1.00 0.00 C ATOM 1298 C TYR A 97 27.574 -2.006 2.146 1.00 0.00 C ATOM 1299 O TYR A 97 28.193 -1.935 3.208 1.00 0.00 O ATOM 1300 CB TYR A 97 25.836 -0.307 1.556 1.00 0.00 C ATOM 1301 CG TYR A 97 24.560 -0.204 0.768 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.475 0.612 -0.348 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.438 -0.934 1.139 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.301 0.711 -1.065 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.268 -0.848 0.425 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.199 -0.021 -0.675 1.00 0.00 C ATOM 1307 OH TYR A 97 21.028 0.069 -1.390 1.00 0.00 O ATOM 0 H TYR A 97 25.707 -1.124 4.068 1.00 0.00 H new ATOM 0 HA TYR A 97 25.622 -2.431 1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.802 0.395 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.674 -0.012 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.340 1.178 -0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.487 -1.580 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.245 1.358 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.406 -1.426 0.724 1.00 0.00 H new ATOM 0 HH TYR A 97 21.215 -0.064 -2.343 1.00 0.00 H new ATOM 1317 N SER A 98 28.145 -2.357 1.000 1.00 0.00 N ATOM 1318 CA SER A 98 29.564 -2.698 0.937 1.00 0.00 C ATOM 1319 C SER A 98 30.205 -2.244 -0.369 1.00 0.00 C ATOM 1320 O SER A 98 29.591 -2.309 -1.428 1.00 0.00 O ATOM 1321 CB SER A 98 29.745 -4.206 1.093 1.00 0.00 C ATOM 1322 OG SER A 98 29.572 -4.872 -0.146 1.00 0.00 O ATOM 0 H SER A 98 27.654 -2.413 0.108 1.00 0.00 H new ATOM 0 HA SER A 98 30.060 -2.174 1.754 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.739 -4.417 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.027 -4.588 1.818 1.00 0.00 H new ATOM 0 HG SER A 98 29.695 -5.836 -0.019 1.00 0.00 H new ATOM 1328 N CYS A 99 31.473 -1.856 -0.291 1.00 0.00 N ATOM 1329 CA CYS A 99 32.213 -1.404 -1.452 1.00 0.00 C ATOM 1330 C CYS A 99 32.488 -2.545 -2.423 1.00 0.00 C ATOM 1331 O CYS A 99 32.413 -3.719 -2.062 1.00 0.00 O ATOM 1332 CB CYS A 99 33.522 -0.783 -0.986 1.00 0.00 C ATOM 1333 SG CYS A 99 33.294 0.756 -0.037 1.00 0.00 S ATOM 0 H CYS A 99 32.010 -1.848 0.576 1.00 0.00 H new ATOM 0 HA CYS A 99 31.613 -0.665 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 99 34.059 -1.505 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 99 34.147 -0.577 -1.855 1.00 0.00 H new ATOM 1338 N ASN A 100 32.800 -2.182 -3.663 1.00 0.00 N ATOM 1339 CA ASN A 100 33.063 -3.161 -4.712 1.00 0.00 C ATOM 1340 C ASN A 100 34.124 -4.164 -4.296 1.00 0.00 C ATOM 1341 O ASN A 100 33.819 -5.303 -3.943 1.00 0.00 O ATOM 1342 CB ASN A 100 33.518 -2.454 -5.995 1.00 0.00 C ATOM 1343 CG ASN A 100 32.365 -2.144 -6.922 1.00 0.00 C ATOM 1344 OD1 ASN A 100 31.230 -1.806 -6.337 1.00 0.00 O flip ATOM 1345 ND2 ASN A 100 32.494 -2.210 -8.145 1.00 0.00 N flip ATOM 0 H ASN A 100 32.877 -1.211 -3.967 1.00 0.00 H new ATOM 0 HA ASN A 100 32.132 -3.699 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 100 34.030 -1.528 -5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 100 34.241 -3.082 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 100 33.392 -2.476 -8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.703 -1.999 -8.753 1.00 0.00 H new ATOM 1352 N SER A 101 35.375 -3.741 -4.385 1.00 0.00 N ATOM 1353 CA SER A 101 36.500 -4.610 -4.105 1.00 0.00 C ATOM 1354 C SER A 101 37.221 -4.204 -2.825 1.00 0.00 C ATOM 1355 O SER A 101 37.803 -5.042 -2.137 1.00 0.00 O ATOM 1356 CB SER A 101 37.456 -4.559 -5.289 1.00 0.00 C ATOM 1357 OG SER A 101 38.160 -5.779 -5.437 1.00 0.00 O ATOM 0 H SER A 101 35.635 -2.791 -4.652 1.00 0.00 H new ATOM 0 HA SER A 101 36.134 -5.626 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.898 -4.346 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 101 38.165 -3.742 -5.152 1.00 0.00 H new ATOM 0 HG SER A 101 38.764 -5.717 -6.206 1.00 0.00 H new ATOM 1363 N GLY A 102 37.191 -2.914 -2.519 1.00 0.00 N ATOM 1364 CA GLY A 102 37.824 -2.432 -1.317 1.00 0.00 C ATOM 1365 C GLY A 102 37.784 -0.921 -1.186 1.00 0.00 C ATOM 1366 O GLY A 102 38.684 -0.321 -0.597 1.00 0.00 O ATOM 0 H GLY A 102 36.738 -2.196 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 102 37.334 -2.878 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.862 -2.764 -1.302 1.00 0.00 H new ATOM 1370 N TYR A 103 36.727 -0.306 -1.708 1.00 0.00 N ATOM 1371 CA TYR A 103 36.555 1.124 -1.627 1.00 0.00 C ATOM 1372 C TYR A 103 36.261 1.550 -0.195 1.00 0.00 C ATOM 1373 O TYR A 103 36.371 0.746 0.730 1.00 0.00 O ATOM 1374 CB TYR A 103 35.393 1.497 -2.533 1.00 0.00 C ATOM 1375 CG TYR A 103 35.783 2.403 -3.670 1.00 0.00 C ATOM 1376 CD1 TYR A 103 36.089 1.859 -4.905 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.891 3.774 -3.509 1.00 0.00 C ATOM 1378 CE1 TYR A 103 36.467 2.660 -5.964 1.00 0.00 C ATOM 1379 CE2 TYR A 103 36.259 4.588 -4.564 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.556 4.024 -5.787 1.00 0.00 C ATOM 1381 OH TYR A 103 36.933 4.828 -6.838 1.00 0.00 O ATOM 0 H TYR A 103 35.973 -0.791 -2.195 1.00 0.00 H new ATOM 0 HA TYR A 103 37.467 1.631 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.953 0.586 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.621 1.986 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 103 36.031 0.789 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 103 35.685 4.214 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 103 36.691 2.221 -6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 103 36.314 5.658 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 103 36.945 5.764 -6.546 1.00 0.00 H new ATOM 1391 N SER A 104 35.841 2.799 -0.014 1.00 0.00 N ATOM 1392 CA SER A 104 35.457 3.274 1.309 1.00 0.00 C ATOM 1393 C SER A 104 34.052 3.847 1.258 1.00 0.00 C ATOM 1394 O SER A 104 33.795 4.836 0.575 1.00 0.00 O ATOM 1395 CB SER A 104 36.439 4.315 1.833 1.00 0.00 C ATOM 1396 OG SER A 104 36.725 4.103 3.204 1.00 0.00 O ATOM 0 H SER A 104 35.759 3.492 -0.758 1.00 0.00 H new ATOM 0 HA SER A 104 35.477 2.429 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 104 37.362 4.272 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.023 5.313 1.695 1.00 0.00 H new ATOM 0 HG SER A 104 37.358 4.783 3.515 1.00 0.00 H new ATOM 1402 N LEU A 105 33.137 3.185 1.944 1.00 0.00 N ATOM 1403 CA LEU A 105 31.745 3.565 1.920 1.00 0.00 C ATOM 1404 C LEU A 105 31.498 4.876 2.637 1.00 0.00 C ATOM 1405 O LEU A 105 32.102 5.175 3.667 1.00 0.00 O ATOM 1406 CB LEU A 105 30.874 2.467 2.514 1.00 0.00 C ATOM 1407 CG LEU A 105 29.652 2.123 1.668 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.788 0.733 1.071 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.387 2.239 2.492 1.00 0.00 C ATOM 0 H LEU A 105 33.341 2.374 2.529 1.00 0.00 H new ATOM 0 HA LEU A 105 31.473 3.706 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.478 1.569 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 105 30.542 2.776 3.505 1.00 0.00 H new ATOM 0 HG LEU A 105 29.588 2.837 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.906 0.507 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.676 0.693 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.879 0.000 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.525 1.990 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.438 1.551 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.286 3.259 2.861 1.00 0.00 H new ATOM 1421 N ILE A 106 30.577 5.634 2.078 1.00 0.00 N ATOM 1422 CA ILE A 106 30.224 6.940 2.589 1.00 0.00 C ATOM 1423 C ILE A 106 28.735 7.024 2.912 1.00 0.00 C ATOM 1424 O ILE A 106 27.931 6.276 2.364 1.00 0.00 O ATOM 1425 CB ILE A 106 30.572 8.011 1.548 1.00 0.00 C ATOM 1426 CG1 ILE A 106 32.055 7.936 1.198 1.00 0.00 C ATOM 1427 CG2 ILE A 106 30.205 9.392 2.057 1.00 0.00 C ATOM 1428 CD1 ILE A 106 32.967 8.319 2.339 1.00 0.00 C ATOM 0 H ILE A 106 30.049 5.358 1.250 1.00 0.00 H new ATOM 0 HA ILE A 106 30.788 7.107 3.506 1.00 0.00 H new ATOM 0 HB ILE A 106 29.992 7.823 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.293 6.921 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 106 32.253 8.592 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 106 30.460 10.137 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.135 9.433 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 106 30.756 9.600 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 106 34.005 8.242 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 106 32.757 9.344 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 106 32.798 7.648 3.181 1.00 0.00 H new ATOM 1440 N GLY A 107 28.374 7.947 3.795 1.00 0.00 N ATOM 1441 CA GLY A 107 26.974 8.132 4.144 1.00 0.00 C ATOM 1442 C GLY A 107 26.351 6.917 4.793 1.00 0.00 C ATOM 1443 O GLY A 107 25.163 6.645 4.625 1.00 0.00 O ATOM 0 H GLY A 107 29.022 8.571 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.885 8.982 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.413 8.382 3.244 1.00 0.00 H new ATOM 1447 N ASN A 108 27.165 6.192 5.524 1.00 0.00 N ATOM 1448 CA ASN A 108 26.725 4.996 6.234 1.00 0.00 C ATOM 1449 C ASN A 108 26.183 3.945 5.276 1.00 0.00 C ATOM 1450 O ASN A 108 25.395 4.242 4.382 1.00 0.00 O ATOM 1451 CB ASN A 108 25.667 5.361 7.261 1.00 0.00 C ATOM 1452 CG ASN A 108 26.100 5.049 8.680 1.00 0.00 C ATOM 1453 OD1 ASN A 108 25.458 4.267 9.380 1.00 0.00 O ATOM 1454 ND2 ASN A 108 27.195 5.663 9.113 1.00 0.00 N ATOM 0 H ASN A 108 28.154 6.408 5.649 1.00 0.00 H new ATOM 0 HA ASN A 108 27.591 4.570 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 108 25.439 6.424 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.748 4.820 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 108 27.534 5.493 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 108 27.697 6.304 8.499 1.00 0.00 H new ATOM 1461 N SER A 109 26.593 2.709 5.505 1.00 0.00 N ATOM 1462 CA SER A 109 26.216 1.591 4.656 1.00 0.00 C ATOM 1463 C SER A 109 24.768 1.156 4.871 1.00 0.00 C ATOM 1464 O SER A 109 24.124 0.650 3.952 1.00 0.00 O ATOM 1465 CB SER A 109 27.174 0.428 4.920 1.00 0.00 C ATOM 1466 OG SER A 109 26.596 -0.538 5.780 1.00 0.00 O ATOM 0 H SER A 109 27.197 2.452 6.285 1.00 0.00 H new ATOM 0 HA SER A 109 26.288 1.911 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.446 -0.042 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 109 28.094 0.807 5.364 1.00 0.00 H new ATOM 0 HG SER A 109 26.751 -0.280 6.713 1.00 0.00 H new ATOM 1472 N GLY A 110 24.263 1.341 6.082 1.00 0.00 N ATOM 1473 CA GLY A 110 22.894 0.951 6.374 1.00 0.00 C ATOM 1474 C GLY A 110 21.888 1.684 5.507 1.00 0.00 C ATOM 1475 O GLY A 110 22.053 2.869 5.218 1.00 0.00 O ATOM 0 H GLY A 110 24.771 1.752 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.785 -0.123 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.678 1.150 7.424 1.00 0.00 H new ATOM 1479 N VAL A 111 20.848 0.973 5.084 1.00 0.00 N ATOM 1480 CA VAL A 111 19.823 1.550 4.223 1.00 0.00 C ATOM 1481 C VAL A 111 18.426 1.176 4.699 1.00 0.00 C ATOM 1482 O VAL A 111 18.073 0.000 4.742 1.00 0.00 O ATOM 1483 CB VAL A 111 19.994 1.081 2.776 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.109 1.876 1.841 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.451 1.177 2.356 1.00 0.00 C ATOM 0 H VAL A 111 20.693 -0.006 5.324 1.00 0.00 H new ATOM 0 HA VAL A 111 19.940 2.633 4.271 1.00 0.00 H new ATOM 0 HB VAL A 111 19.688 0.037 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.249 1.523 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.066 1.747 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.373 2.932 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.555 0.840 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.785 2.212 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.059 0.549 3.006 1.00 0.00 H new ATOM 1495 N LEU A 112 17.630 2.182 5.043 1.00 0.00 N ATOM 1496 CA LEU A 112 16.271 1.948 5.516 1.00 0.00 C ATOM 1497 C LEU A 112 15.319 1.698 4.354 1.00 0.00 C ATOM 1498 O LEU A 112 15.325 2.428 3.364 1.00 0.00 O ATOM 1499 CB LEU A 112 15.777 3.144 6.338 1.00 0.00 C ATOM 1500 CG LEU A 112 14.278 3.155 6.649 1.00 0.00 C ATOM 1501 CD1 LEU A 112 13.516 3.709 5.467 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.781 1.762 7.011 1.00 0.00 C ATOM 0 H LEU A 112 17.901 3.164 5.003 1.00 0.00 H new ATOM 0 HA LEU A 112 16.288 1.059 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.326 3.167 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 112 16.026 4.059 5.801 1.00 0.00 H new ATOM 0 HG LEU A 112 14.106 3.797 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.450 3.715 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.850 4.726 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.698 3.085 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.713 1.801 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.958 1.084 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.316 1.402 7.890 1.00 0.00 H new ATOM 1514 N CYS A 113 14.482 0.677 4.497 1.00 0.00 N ATOM 1515 CA CYS A 113 13.491 0.359 3.486 1.00 0.00 C ATOM 1516 C CYS A 113 12.104 0.765 3.966 1.00 0.00 C ATOM 1517 O CYS A 113 11.520 0.102 4.826 1.00 0.00 O ATOM 1518 CB CYS A 113 13.502 -1.135 3.177 1.00 0.00 C ATOM 1519 SG CYS A 113 12.177 -1.663 2.045 1.00 0.00 S ATOM 0 H CYS A 113 14.473 0.056 5.306 1.00 0.00 H new ATOM 0 HA CYS A 113 13.738 0.912 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.466 -1.399 2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.412 -1.690 4.111 1.00 0.00 H new ATOM 1524 N SER A 114 11.588 1.862 3.421 1.00 0.00 N ATOM 1525 CA SER A 114 10.273 2.356 3.811 1.00 0.00 C ATOM 1526 C SER A 114 9.577 3.067 2.657 1.00 0.00 C ATOM 1527 O SER A 114 10.160 3.931 2.002 1.00 0.00 O ATOM 1528 CB SER A 114 10.394 3.303 5.006 1.00 0.00 C ATOM 1529 OG SER A 114 9.202 3.315 5.770 1.00 0.00 O ATOM 0 H SER A 114 12.058 2.423 2.711 1.00 0.00 H new ATOM 0 HA SER A 114 9.668 1.494 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.229 2.995 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.614 4.311 4.654 1.00 0.00 H new ATOM 0 HG SER A 114 9.306 3.927 6.529 1.00 0.00 H new ATOM 1535 N GLY A 115 8.316 2.712 2.430 1.00 0.00 N ATOM 1536 CA GLY A 115 7.554 3.328 1.361 1.00 0.00 C ATOM 1537 C GLY A 115 7.860 2.718 0.013 1.00 0.00 C ATOM 1538 O GLY A 115 7.681 3.356 -1.023 1.00 0.00 O ATOM 0 H GLY A 115 7.809 2.009 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.489 3.225 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.771 4.396 1.332 1.00 0.00 H new ATOM 1542 N GLY A 116 8.327 1.476 0.030 1.00 0.00 N ATOM 1543 CA GLY A 116 8.690 0.809 -1.201 1.00 0.00 C ATOM 1544 C GLY A 116 10.012 1.304 -1.756 1.00 0.00 C ATOM 1545 O GLY A 116 10.454 0.854 -2.813 1.00 0.00 O ATOM 0 H GLY A 116 8.460 0.920 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.752 -0.265 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.906 0.966 -1.942 1.00 0.00 H new ATOM 1549 N GLU A 117 10.651 2.230 -1.041 1.00 0.00 N ATOM 1550 CA GLU A 117 11.933 2.770 -1.467 1.00 0.00 C ATOM 1551 C GLU A 117 12.977 2.600 -0.376 1.00 0.00 C ATOM 1552 O GLU A 117 12.683 2.105 0.712 1.00 0.00 O ATOM 1553 CB GLU A 117 11.800 4.250 -1.821 1.00 0.00 C ATOM 1554 CG GLU A 117 11.556 5.145 -0.617 1.00 0.00 C ATOM 1555 CD GLU A 117 10.932 6.473 -0.995 1.00 0.00 C ATOM 1556 OE1 GLU A 117 9.735 6.487 -1.351 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.639 7.501 -0.934 1.00 0.00 O ATOM 0 H GLU A 117 10.299 2.619 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 117 12.252 2.219 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.708 4.577 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.979 4.374 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.904 4.629 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 117 12.501 5.325 -0.105 1.00 0.00 H new ATOM 1564 N TRP A 118 14.191 3.035 -0.669 1.00 0.00 N ATOM 1565 CA TRP A 118 15.284 2.930 0.276 1.00 0.00 C ATOM 1566 C TRP A 118 15.849 4.302 0.616 1.00 0.00 C ATOM 1567 O TRP A 118 16.114 5.112 -0.272 1.00 0.00 O ATOM 1568 CB TRP A 118 16.387 2.060 -0.309 1.00 0.00 C ATOM 1569 CG TRP A 118 16.019 0.618 -0.429 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.437 0.003 -1.499 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.244 -0.400 0.548 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.284 -1.338 -1.244 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.769 -1.607 0.008 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.795 -0.404 1.830 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.830 -2.806 0.708 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.857 -1.596 2.524 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.375 -2.781 1.962 1.00 0.00 C ATOM 0 H TRP A 118 14.443 3.466 -1.559 1.00 0.00 H new ATOM 0 HA TRP A 118 14.900 2.478 1.191 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.652 2.441 -1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.276 2.148 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 118 15.140 0.498 -2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.876 -2.021 -1.882 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.166 0.509 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.460 -3.725 0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.284 -1.613 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.434 -3.697 2.530 1.00 0.00 H new ATOM 1588 N SER A 119 16.052 4.547 1.902 1.00 0.00 N ATOM 1589 CA SER A 119 16.620 5.808 2.354 1.00 0.00 C ATOM 1590 C SER A 119 18.037 5.595 2.868 1.00 0.00 C ATOM 1591 O SER A 119 18.432 4.469 3.174 1.00 0.00 O ATOM 1592 CB SER A 119 15.750 6.426 3.448 1.00 0.00 C ATOM 1593 OG SER A 119 14.441 5.885 3.427 1.00 0.00 O ATOM 0 H SER A 119 15.832 3.890 2.650 1.00 0.00 H new ATOM 0 HA SER A 119 16.653 6.494 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.205 6.247 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.702 7.506 3.312 1.00 0.00 H new ATOM 0 HG SER A 119 13.829 6.491 3.895 1.00 0.00 H new ATOM 1599 N ASP A 120 18.806 6.677 2.929 1.00 0.00 N ATOM 1600 CA ASP A 120 20.186 6.622 3.404 1.00 0.00 C ATOM 1601 C ASP A 120 21.123 5.837 2.470 1.00 0.00 C ATOM 1602 O ASP A 120 22.074 5.212 2.940 1.00 0.00 O ATOM 1603 CB ASP A 120 20.210 5.973 4.772 1.00 0.00 C ATOM 1604 CG ASP A 120 21.574 6.042 5.432 1.00 0.00 C ATOM 1605 OD1 ASP A 120 22.404 6.869 4.997 1.00 0.00 O ATOM 1606 OD2 ASP A 120 21.812 5.270 6.384 1.00 0.00 O ATOM 0 H ASP A 120 18.495 7.609 2.654 1.00 0.00 H new ATOM 0 HA ASP A 120 20.551 7.649 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 120 19.476 6.461 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.909 4.930 4.679 1.00 0.00 H new ATOM 1611 N PRO A 121 20.905 5.869 1.142 1.00 0.00 N ATOM 1612 CA PRO A 121 21.771 5.161 0.196 1.00 0.00 C ATOM 1613 C PRO A 121 23.169 5.777 0.169 1.00 0.00 C ATOM 1614 O PRO A 121 23.316 6.985 -0.011 1.00 0.00 O ATOM 1615 CB PRO A 121 21.065 5.327 -1.150 1.00 0.00 C ATOM 1616 CG PRO A 121 20.191 6.523 -0.987 1.00 0.00 C ATOM 1617 CD PRO A 121 19.817 6.581 0.469 1.00 0.00 C ATOM 0 HA PRO A 121 21.916 4.114 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 121 21.784 5.471 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.479 4.442 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 121 20.714 7.430 -1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.302 6.443 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.736 7.610 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.854 6.105 0.653 1.00 0.00 H new ATOM 1625 N PRO A 122 24.214 4.965 0.401 1.00 0.00 N ATOM 1626 CA PRO A 122 25.582 5.454 0.493 1.00 0.00 C ATOM 1627 C PRO A 122 26.341 5.449 -0.819 1.00 0.00 C ATOM 1628 O PRO A 122 25.802 5.146 -1.883 1.00 0.00 O ATOM 1629 CB PRO A 122 26.229 4.460 1.451 1.00 0.00 C ATOM 1630 CG PRO A 122 25.487 3.179 1.250 1.00 0.00 C ATOM 1631 CD PRO A 122 24.135 3.523 0.675 1.00 0.00 C ATOM 0 HA PRO A 122 25.597 6.497 0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.290 4.338 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.152 4.801 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.034 2.521 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.378 2.647 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.933 2.956 -0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.334 3.295 1.378 1.00 0.00 H new ATOM 1639 N THR A 123 27.615 5.777 -0.702 1.00 0.00 N ATOM 1640 CA THR A 123 28.537 5.790 -1.822 1.00 0.00 C ATOM 1641 C THR A 123 29.832 5.137 -1.390 1.00 0.00 C ATOM 1642 O THR A 123 29.985 4.789 -0.223 1.00 0.00 O ATOM 1643 CB THR A 123 28.814 7.227 -2.262 1.00 0.00 C ATOM 1644 OG1 THR A 123 27.636 8.011 -2.193 1.00 0.00 O ATOM 1645 CG2 THR A 123 29.359 7.333 -3.664 1.00 0.00 C ATOM 0 H THR A 123 28.043 6.045 0.184 1.00 0.00 H new ATOM 0 HA THR A 123 28.100 5.246 -2.659 1.00 0.00 H new ATOM 0 HB THR A 123 29.572 7.596 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 123 27.836 8.927 -2.477 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.532 8.381 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 123 30.299 6.785 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 123 28.641 6.910 -4.366 1.00 0.00 H new ATOM 1653 N CYS A 124 30.772 4.990 -2.305 1.00 0.00 N ATOM 1654 CA CYS A 124 32.057 4.426 -1.943 1.00 0.00 C ATOM 1655 C CYS A 124 33.195 5.249 -2.511 1.00 0.00 C ATOM 1656 O CYS A 124 33.495 5.186 -3.703 1.00 0.00 O ATOM 1657 CB CYS A 124 32.180 2.976 -2.394 1.00 0.00 C ATOM 1658 SG CYS A 124 31.798 1.777 -1.079 1.00 0.00 S ATOM 0 H CYS A 124 30.673 5.248 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 124 32.122 4.449 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 124 31.509 2.807 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 124 33.194 2.800 -2.754 1.00 0.00 H new ATOM 1663 N GLN A 125 33.822 6.022 -1.641 1.00 0.00 N ATOM 1664 CA GLN A 125 34.936 6.853 -2.032 1.00 0.00 C ATOM 1665 C GLN A 125 36.236 6.285 -1.508 1.00 0.00 C ATOM 1666 O GLN A 125 36.261 5.574 -0.506 1.00 0.00 O ATOM 1667 CB GLN A 125 34.753 8.274 -1.511 1.00 0.00 C ATOM 1668 CG GLN A 125 33.864 9.137 -2.389 1.00 0.00 C ATOM 1669 CD GLN A 125 33.037 10.124 -1.589 1.00 0.00 C ATOM 1670 OE1 GLN A 125 33.569 10.888 -0.785 1.00 0.00 O ATOM 1671 NE2 GLN A 125 31.727 10.110 -1.806 1.00 0.00 N ATOM 0 H GLN A 125 33.573 6.088 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 125 34.972 6.875 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.327 8.232 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.731 8.748 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.483 9.681 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.199 8.496 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.329 9.459 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.119 10.751 -1.296 1.00 0.00 H new ATOM 1680 N ILE A 126 37.307 6.588 -2.208 1.00 0.00 N ATOM 1681 CA ILE A 126 38.624 6.105 -1.833 1.00 0.00 C ATOM 1682 C ILE A 126 39.108 6.785 -0.559 1.00 0.00 C ATOM 1683 O ILE A 126 40.110 7.500 -0.564 1.00 0.00 O ATOM 1684 CB ILE A 126 39.637 6.340 -2.966 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.177 5.622 -4.231 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.024 5.869 -2.555 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.093 4.118 -4.079 1.00 0.00 C ATOM 0 H ILE A 126 37.294 7.170 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 126 38.544 5.033 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 126 39.693 7.409 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.198 6.005 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.864 5.859 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.725 6.045 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.349 6.421 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 126 40.994 4.804 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.760 3.675 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.075 3.723 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 126 38.383 3.871 -3.289 1.00 0.00 H new