USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 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 81 LYS NZ :NH3+ 175:sc= 0.264 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot -137:sc= 0.259 USER MOD Set 2.1: A 25 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Set 2.2: A 44 SER OG : rot -50:sc= 0.0027 USER MOD Set 3.1: A 9 LYS NZ :NH3+ 165:sc= 1.67 (180deg=0.625) USER MOD Set 3.2: A 114 SER OG : rot -150:sc= 0.674 USER MOD Single : A 1 ARG N :NH3+ -115:sc= 0.444 (180deg=-0.169) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -93:sc= 0.0119 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 19:sc= 0.44 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.07 K(o=-3.1,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.964 K(o=-0.96,f=-0.18) USER MOD Single : A 21 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.038) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 110:sc= 0.0129 USER MOD Single : A 53 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 55 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.56) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.14) USER MOD Single : A 58 HIS : no HD1:sc= 1.41 K(o=1.9,f=-5.9!) USER MOD Single : A 60 THR OG1 : rot -143:sc= 1.13 USER MOD Single : A 61 ASN : amide:sc= 0.43 X(o=0.43,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.0052) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -62:sc= 0.0874 USER MOD Single : A 73 THR OG1 : rot -47:sc= 1.55 USER MOD Single : A 74 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.0059) USER MOD Single : A 77 HIS : no HE2:sc= 0.561 K(o=0.56,f=-2.2!) USER MOD Single : A 79 LYS NZ :NH3+ -133:sc= 0.254 (180deg=0.000446) USER MOD Single : A 82 ASN : amide:sc= 1.11 K(o=1.1,f=-0.87) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 124:sc= 0.997 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.634) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -3:sc= 0.609 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.9) USER MOD Single : A 107 THR OG1 : rot -122:sc= 0.796 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.599 -7.138 17.071 1.00 0.00 N ATOM 2 CA ARG A 1 18.403 -6.970 15.826 1.00 0.00 C ATOM 3 C ARG A 1 18.147 -8.155 14.876 1.00 0.00 C ATOM 4 O ARG A 1 18.956 -9.085 14.836 1.00 0.00 O ATOM 5 CB ARG A 1 19.898 -6.753 16.179 1.00 0.00 C ATOM 6 CG ARG A 1 20.192 -5.321 16.681 1.00 0.00 C ATOM 7 CD ARG A 1 21.287 -5.244 17.756 1.00 0.00 C ATOM 8 NE ARG A 1 20.751 -5.463 19.117 1.00 0.00 N ATOM 9 CZ ARG A 1 21.428 -5.443 20.250 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.720 -5.295 20.283 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.807 -5.564 21.387 1.00 0.00 N ATOM 0 H1 ARG A 1 16.893 -6.377 17.134 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.115 -8.058 17.050 1.00 0.00 H new ATOM 0 H3 ARG A 1 18.228 -7.097 17.898 1.00 0.00 H new ATOM 0 HA ARG A 1 18.091 -6.074 15.288 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.194 -7.470 16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.508 -6.957 15.299 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.487 -4.704 15.832 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.273 -4.893 17.082 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.054 -5.990 17.545 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.770 -4.268 17.710 1.00 0.00 H new ATOM 0 HE ARG A 1 19.751 -5.650 19.188 1.00 0.00 H new ATOM 0 HH11 ARG A 1 23.244 -5.189 19.414 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.209 -5.284 21.178 1.00 0.00 H new ATOM 0 HH21 ARG A 1 19.793 -5.675 21.405 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.334 -5.548 22.260 1.00 0.00 H new ATOM 27 N PRO A 2 16.998 -8.184 14.155 1.00 0.00 N ATOM 28 CA PRO A 2 16.573 -9.370 13.397 1.00 0.00 C ATOM 29 C PRO A 2 17.381 -9.571 12.102 1.00 0.00 C ATOM 30 O PRO A 2 17.934 -10.648 11.869 1.00 0.00 O ATOM 31 CB PRO A 2 15.078 -9.163 13.121 1.00 0.00 C ATOM 32 CG PRO A 2 14.908 -7.644 13.098 1.00 0.00 C ATOM 33 CD PRO A 2 15.953 -7.153 14.103 1.00 0.00 C ATOM 0 HA PRO A 2 16.754 -10.282 13.966 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.782 -9.611 12.172 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.463 -9.621 13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.085 -7.235 12.103 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.900 -7.348 13.390 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.369 -6.194 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.506 -7.004 15.086 1.00 0.00 H new ATOM 41 N CYS A 3 17.462 -8.524 11.279 1.00 0.00 N ATOM 42 CA CYS A 3 18.226 -8.424 10.034 1.00 0.00 C ATOM 43 C CYS A 3 18.862 -7.025 9.929 1.00 0.00 C ATOM 44 O CYS A 3 18.508 -6.119 10.690 1.00 0.00 O ATOM 45 CB CYS A 3 17.290 -8.686 8.842 1.00 0.00 C ATOM 46 SG CYS A 3 16.474 -10.311 8.836 1.00 0.00 S ATOM 0 H CYS A 3 16.958 -7.660 11.480 1.00 0.00 H new ATOM 0 HA CYS A 3 19.023 -9.168 10.026 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.522 -7.912 8.827 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.864 -8.583 7.921 1.00 0.00 H new ATOM 51 N LYS A 4 19.786 -6.834 8.982 1.00 0.00 N ATOM 52 CA LYS A 4 20.423 -5.537 8.692 1.00 0.00 C ATOM 53 C LYS A 4 19.664 -4.812 7.575 1.00 0.00 C ATOM 54 O LYS A 4 19.268 -5.443 6.593 1.00 0.00 O ATOM 55 CB LYS A 4 21.898 -5.751 8.299 1.00 0.00 C ATOM 56 CG LYS A 4 22.720 -6.625 9.269 1.00 0.00 C ATOM 57 CD LYS A 4 22.759 -6.143 10.729 1.00 0.00 C ATOM 58 CE LYS A 4 23.509 -4.814 10.877 1.00 0.00 C ATOM 59 NZ LYS A 4 23.582 -4.389 12.301 1.00 0.00 N ATOM 0 H LYS A 4 20.121 -7.588 8.382 1.00 0.00 H new ATOM 0 HA LYS A 4 20.389 -4.916 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.930 -6.207 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.380 -4.777 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.315 -7.637 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.743 -6.685 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.740 -6.027 11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.239 -6.901 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.517 -4.916 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.007 -4.044 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.095 -3.487 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.620 -4.269 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.082 -5.114 12.854 1.00 0.00 H new ATOM 73 N TYR A 5 19.507 -3.493 7.697 1.00 0.00 N ATOM 74 CA TYR A 5 18.823 -2.637 6.716 1.00 0.00 C ATOM 75 C TYR A 5 19.568 -1.314 6.470 1.00 0.00 C ATOM 76 O TYR A 5 20.383 -0.874 7.287 1.00 0.00 O ATOM 77 CB TYR A 5 17.394 -2.320 7.184 1.00 0.00 C ATOM 78 CG TYR A 5 16.493 -3.499 7.509 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.525 -4.067 8.797 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.570 -3.979 6.556 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.630 -5.093 9.148 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.645 -4.977 6.920 1.00 0.00 C ATOM 83 CZ TYR A 5 14.683 -5.547 8.208 1.00 0.00 C ATOM 84 OH TYR A 5 13.823 -6.549 8.528 1.00 0.00 O ATOM 0 H TYR A 5 19.860 -2.973 8.501 1.00 0.00 H new ATOM 0 HA TYR A 5 18.800 -3.195 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.461 -1.691 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.908 -1.727 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.243 -3.712 9.521 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.573 -3.583 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.668 -5.532 10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.903 -5.307 6.208 1.00 0.00 H new ATOM 0 HH TYR A 5 14.205 -7.408 8.252 1.00 0.00 H new ATOM 94 N LYS A 6 19.258 -0.669 5.342 1.00 0.00 N ATOM 95 CA LYS A 6 19.840 0.595 4.862 1.00 0.00 C ATOM 96 C LYS A 6 18.999 1.808 5.275 1.00 0.00 C ATOM 97 O LYS A 6 17.782 1.706 5.446 1.00 0.00 O ATOM 98 CB LYS A 6 19.952 0.519 3.331 1.00 0.00 C ATOM 99 CG LYS A 6 20.874 -0.630 2.869 1.00 0.00 C ATOM 100 CD LYS A 6 20.476 -1.206 1.507 1.00 0.00 C ATOM 101 CE LYS A 6 20.616 -0.164 0.387 1.00 0.00 C ATOM 102 NZ LYS A 6 20.501 -0.783 -0.960 1.00 0.00 N ATOM 0 H LYS A 6 18.554 -1.033 4.700 1.00 0.00 H new ATOM 0 HA LYS A 6 20.823 0.727 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.959 0.380 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.335 1.465 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.900 -0.267 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.855 -1.426 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.101 -2.070 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.446 -1.560 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.847 0.600 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.580 0.338 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.601 -0.048 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.250 -1.494 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.572 -1.240 -1.054 1.00 0.00 H new ATOM 116 N LEU A 7 19.648 2.967 5.388 1.00 0.00 N ATOM 117 CA LEU A 7 19.064 4.226 5.874 1.00 0.00 C ATOM 118 C LEU A 7 18.469 5.047 4.717 1.00 0.00 C ATOM 119 O LEU A 7 19.198 5.668 3.940 1.00 0.00 O ATOM 120 CB LEU A 7 20.131 5.000 6.689 1.00 0.00 C ATOM 121 CG LEU A 7 19.607 5.798 7.899 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.430 6.720 7.569 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.200 4.870 9.047 1.00 0.00 C ATOM 0 H LEU A 7 20.632 3.063 5.135 1.00 0.00 H new ATOM 0 HA LEU A 7 18.228 4.014 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.876 4.288 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.643 5.690 6.018 1.00 0.00 H new ATOM 0 HG LEU A 7 20.444 6.427 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.117 7.247 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.735 7.443 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.598 6.127 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.835 5.465 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.412 4.197 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.063 4.286 9.366 1.00 0.00 H new ATOM 135 N LYS A 8 17.135 5.033 4.599 1.00 0.00 N ATOM 136 CA LYS A 8 16.368 5.751 3.568 1.00 0.00 C ATOM 137 C LYS A 8 15.172 6.498 4.176 1.00 0.00 C ATOM 138 O LYS A 8 14.287 5.902 4.789 1.00 0.00 O ATOM 139 CB LYS A 8 15.972 4.749 2.468 1.00 0.00 C ATOM 140 CG LYS A 8 15.231 5.364 1.266 1.00 0.00 C ATOM 141 CD LYS A 8 16.062 6.410 0.503 1.00 0.00 C ATOM 142 CE LYS A 8 15.396 6.821 -0.818 1.00 0.00 C ATOM 143 NZ LYS A 8 15.603 5.812 -1.894 1.00 0.00 N ATOM 0 H LYS A 8 16.539 4.506 5.238 1.00 0.00 H new ATOM 0 HA LYS A 8 16.982 6.528 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.873 4.254 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.341 3.978 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.945 4.567 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.309 5.829 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.199 7.291 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.054 6.007 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.327 6.961 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.798 7.781 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.136 6.133 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.621 5.696 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.197 4.901 -1.599 1.00 0.00 H new ATOM 157 N LYS A 9 15.166 7.822 4.029 1.00 0.00 N ATOM 158 CA LYS A 9 14.086 8.740 4.453 1.00 0.00 C ATOM 159 C LYS A 9 13.682 9.677 3.308 1.00 0.00 C ATOM 160 O LYS A 9 14.493 9.967 2.426 1.00 0.00 O ATOM 161 CB LYS A 9 14.537 9.532 5.702 1.00 0.00 C ATOM 162 CG LYS A 9 14.959 8.656 6.900 1.00 0.00 C ATOM 163 CD LYS A 9 13.784 7.931 7.577 1.00 0.00 C ATOM 164 CE LYS A 9 14.260 6.657 8.296 1.00 0.00 C ATOM 165 NZ LYS A 9 13.753 5.421 7.640 1.00 0.00 N ATOM 0 H LYS A 9 15.945 8.316 3.593 1.00 0.00 H new ATOM 0 HA LYS A 9 13.204 8.155 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.373 10.175 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.723 10.185 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.684 7.916 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.462 9.281 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.304 8.599 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.033 7.672 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.350 6.637 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.925 6.680 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.288 4.599 7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.745 5.297 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.871 5.501 6.610 1.00 0.00 H new ATOM 179 N SER A 10 12.430 10.136 3.304 1.00 0.00 N ATOM 180 CA SER A 10 11.847 11.056 2.305 1.00 0.00 C ATOM 181 C SER A 10 10.661 11.841 2.889 1.00 0.00 C ATOM 182 O SER A 10 10.236 11.604 4.022 1.00 0.00 O ATOM 183 CB SER A 10 11.404 10.263 1.060 1.00 0.00 C ATOM 184 OG SER A 10 12.522 9.931 0.251 1.00 0.00 O ATOM 0 H SER A 10 11.759 9.870 4.025 1.00 0.00 H new ATOM 0 HA SER A 10 12.612 11.778 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.888 9.353 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.693 10.853 0.482 1.00 0.00 H new ATOM 0 HG SER A 10 13.342 9.999 0.783 1.00 0.00 H new ATOM 190 N THR A 11 10.098 12.785 2.127 1.00 0.00 N ATOM 191 CA THR A 11 8.892 13.538 2.519 1.00 0.00 C ATOM 192 C THR A 11 8.017 13.836 1.301 1.00 0.00 C ATOM 193 O THR A 11 8.371 14.678 0.475 1.00 0.00 O ATOM 194 CB THR A 11 9.233 14.847 3.258 1.00 0.00 C ATOM 195 OG1 THR A 11 10.226 14.662 4.247 1.00 0.00 O ATOM 196 CG2 THR A 11 7.986 15.373 3.966 1.00 0.00 C ATOM 0 H THR A 11 10.466 13.053 1.214 1.00 0.00 H new ATOM 0 HA THR A 11 8.338 12.904 3.211 1.00 0.00 H new ATOM 0 HB THR A 11 9.601 15.546 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.411 15.517 4.688 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.227 16.299 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.204 15.564 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.635 14.632 4.684 1.00 0.00 H new ATOM 204 N ASN A 12 6.902 13.112 1.151 1.00 0.00 N ATOM 205 CA ASN A 12 6.032 13.139 -0.039 1.00 0.00 C ATOM 206 C ASN A 12 4.690 12.397 0.164 1.00 0.00 C ATOM 207 O ASN A 12 4.499 11.709 1.164 1.00 0.00 O ATOM 208 CB ASN A 12 6.810 12.571 -1.252 1.00 0.00 C ATOM 209 CG ASN A 12 7.518 11.242 -1.025 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.651 11.043 -1.432 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.891 10.281 -0.395 1.00 0.00 N ATOM 0 H ASN A 12 6.567 12.472 1.872 1.00 0.00 H new ATOM 0 HA ASN A 12 5.762 14.178 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.114 12.453 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.552 13.308 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.350 9.382 -0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.944 10.432 -0.049 1.00 0.00 H new ATOM 218 N LYS A 13 3.786 12.519 -0.816 1.00 0.00 N ATOM 219 CA LYS A 13 2.529 11.759 -1.006 1.00 0.00 C ATOM 220 C LYS A 13 2.729 10.247 -1.198 1.00 0.00 C ATOM 221 O LYS A 13 3.850 9.767 -1.372 1.00 0.00 O ATOM 222 CB LYS A 13 1.736 12.359 -2.188 1.00 0.00 C ATOM 223 CG LYS A 13 2.554 12.760 -3.423 1.00 0.00 C ATOM 224 CD LYS A 13 2.762 14.280 -3.484 1.00 0.00 C ATOM 225 CE LYS A 13 3.843 14.631 -4.516 1.00 0.00 C ATOM 226 NZ LYS A 13 3.948 16.098 -4.730 1.00 0.00 N ATOM 0 H LYS A 13 3.919 13.205 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 13 1.963 11.859 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.983 11.634 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.203 13.240 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.522 12.259 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.043 12.424 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.825 14.771 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.053 14.653 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.805 14.243 -4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.614 14.141 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.689 16.294 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.038 16.465 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.191 16.563 -3.832 1.00 0.00 H new ATOM 240 N PHE A 14 1.624 9.505 -1.225 1.00 0.00 N ATOM 241 CA PHE A 14 1.550 8.050 -1.405 1.00 0.00 C ATOM 242 C PHE A 14 0.357 7.646 -2.289 1.00 0.00 C ATOM 243 O PHE A 14 -0.712 8.258 -2.239 1.00 0.00 O ATOM 244 CB PHE A 14 1.496 7.356 -0.029 1.00 0.00 C ATOM 245 CG PHE A 14 0.527 7.976 0.971 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.857 7.728 0.879 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.013 8.832 1.978 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.753 8.379 1.748 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.117 9.463 2.860 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.266 9.272 2.719 1.00 0.00 C ATOM 0 H PHE A 14 0.701 9.924 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 14 2.449 7.720 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.222 6.311 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.496 7.365 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.232 7.036 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.075 9.004 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.814 8.193 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.495 10.097 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.954 9.809 3.354 1.00 0.00 H new ATOM 260 N CYS A 15 0.539 6.623 -3.129 1.00 0.00 N ATOM 261 CA CYS A 15 -0.511 6.069 -3.987 1.00 0.00 C ATOM 262 C CYS A 15 -1.044 4.746 -3.423 1.00 0.00 C ATOM 263 O CYS A 15 -0.290 3.885 -2.961 1.00 0.00 O ATOM 264 CB CYS A 15 -0.005 5.888 -5.424 1.00 0.00 C ATOM 265 SG CYS A 15 -1.323 5.470 -6.603 1.00 0.00 S ATOM 0 H CYS A 15 1.436 6.149 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.337 6.780 -4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.485 6.806 -5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.750 5.102 -5.440 1.00 0.00 H new ATOM 270 N VAL A 16 -2.362 4.584 -3.497 1.00 0.00 N ATOM 271 CA VAL A 16 -3.130 3.455 -2.930 1.00 0.00 C ATOM 272 C VAL A 16 -4.333 3.090 -3.819 1.00 0.00 C ATOM 273 O VAL A 16 -4.556 3.729 -4.847 1.00 0.00 O ATOM 274 CB VAL A 16 -3.588 3.771 -1.487 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.450 3.798 -0.468 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.339 5.100 -1.380 1.00 0.00 C ATOM 0 H VAL A 16 -2.960 5.260 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.469 2.589 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.256 2.943 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.851 4.026 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.959 2.825 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.726 4.562 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.635 5.268 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.690 5.912 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.227 5.068 -2.011 1.00 0.00 H new ATOM 286 N THR A 17 -5.136 2.089 -3.433 1.00 0.00 N ATOM 287 CA THR A 17 -6.351 1.657 -4.161 1.00 0.00 C ATOM 288 C THR A 17 -7.579 1.640 -3.245 1.00 0.00 C ATOM 289 O THR A 17 -7.605 0.893 -2.265 1.00 0.00 O ATOM 290 CB THR A 17 -6.165 0.257 -4.772 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.881 0.092 -5.338 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.174 -0.059 -5.865 1.00 0.00 C ATOM 0 H THR A 17 -4.961 1.542 -2.590 1.00 0.00 H new ATOM 0 HA THR A 17 -6.512 2.382 -4.959 1.00 0.00 H new ATOM 0 HB THR A 17 -6.310 -0.423 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.802 -0.810 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.988 -1.060 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.182 -0.011 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.076 0.667 -6.672 1.00 0.00 H new ATOM 300 N CYS A 18 -8.594 2.464 -3.541 1.00 0.00 N ATOM 301 CA CYS A 18 -9.853 2.508 -2.794 1.00 0.00 C ATOM 302 C CYS A 18 -10.821 1.435 -3.281 1.00 0.00 C ATOM 303 O CYS A 18 -11.098 1.330 -4.475 1.00 0.00 O ATOM 304 CB CYS A 18 -10.521 3.874 -2.934 1.00 0.00 C ATOM 305 SG CYS A 18 -11.855 4.182 -1.759 1.00 0.00 S ATOM 0 H CYS A 18 -8.560 3.126 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.611 2.325 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.763 4.648 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.916 3.968 -3.945 1.00 0.00 H new ATOM 310 N GLU A 19 -11.370 0.672 -2.346 1.00 0.00 N ATOM 311 CA GLU A 19 -12.371 -0.359 -2.588 1.00 0.00 C ATOM 312 C GLU A 19 -13.430 -0.293 -1.482 1.00 0.00 C ATOM 313 O GLU A 19 -13.141 -0.552 -0.314 1.00 0.00 O ATOM 314 CB GLU A 19 -11.687 -1.731 -2.679 1.00 0.00 C ATOM 315 CG GLU A 19 -12.620 -2.775 -3.300 1.00 0.00 C ATOM 316 CD GLU A 19 -11.941 -4.155 -3.389 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.097 -4.361 -4.294 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.266 -5.046 -2.567 1.00 0.00 O ATOM 0 H GLU A 19 -11.121 0.757 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.878 -0.195 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.779 -1.649 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.384 -2.056 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.529 -2.853 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.919 -2.450 -4.297 1.00 0.00 H new ATOM 325 N ASN A 20 -14.654 0.095 -1.854 1.00 0.00 N ATOM 326 CA ASN A 20 -15.769 0.377 -0.936 1.00 0.00 C ATOM 327 C ASN A 20 -15.428 1.501 0.078 1.00 0.00 C ATOM 328 O ASN A 20 -15.513 1.326 1.296 1.00 0.00 O ATOM 329 CB ASN A 20 -16.293 -0.928 -0.291 1.00 0.00 C ATOM 330 CG ASN A 20 -16.992 -1.873 -1.254 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.195 -2.080 -1.187 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.284 -2.483 -2.179 1.00 0.00 N ATOM 0 H ASN A 20 -14.907 0.227 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.599 0.781 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.455 -1.453 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.985 -0.669 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.739 -3.121 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.280 -2.318 -2.244 1.00 0.00 H new ATOM 339 N GLN A 21 -15.089 2.687 -0.448 1.00 0.00 N ATOM 340 CA GLN A 21 -14.894 3.962 0.272 1.00 0.00 C ATOM 341 C GLN A 21 -13.741 3.957 1.300 1.00 0.00 C ATOM 342 O GLN A 21 -13.773 4.690 2.291 1.00 0.00 O ATOM 343 CB GLN A 21 -16.215 4.455 0.901 1.00 0.00 C ATOM 344 CG GLN A 21 -17.406 4.507 -0.065 1.00 0.00 C ATOM 345 CD GLN A 21 -18.338 3.310 0.078 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.881 3.010 1.133 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.594 2.600 -0.993 1.00 0.00 N ATOM 0 H GLN A 21 -14.933 2.792 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.580 4.675 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.470 3.802 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.055 5.451 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.970 5.423 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.035 4.552 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.150 2.837 -1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.238 1.810 -0.940 1.00 0.00 H new ATOM 356 N ALA A 22 -12.723 3.122 1.078 1.00 0.00 N ATOM 357 CA ALA A 22 -11.593 2.932 1.969 1.00 0.00 C ATOM 358 C ALA A 22 -10.403 2.338 1.184 1.00 0.00 C ATOM 359 O ALA A 22 -10.593 1.407 0.394 1.00 0.00 O ATOM 360 CB ALA A 22 -12.043 2.004 3.101 1.00 0.00 C ATOM 0 H ALA A 22 -12.668 2.542 0.241 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.260 3.880 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.214 1.841 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.875 2.461 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.361 1.049 2.684 1.00 0.00 H new ATOM 366 N PRO A 23 -9.184 2.871 1.347 1.00 0.00 N ATOM 367 CA PRO A 23 -7.974 2.357 0.714 1.00 0.00 C ATOM 368 C PRO A 23 -7.462 1.077 1.389 1.00 0.00 C ATOM 369 O PRO A 23 -6.829 1.113 2.441 1.00 0.00 O ATOM 370 CB PRO A 23 -6.995 3.523 0.761 1.00 0.00 C ATOM 371 CG PRO A 23 -7.375 4.246 2.050 1.00 0.00 C ATOM 372 CD PRO A 23 -8.888 4.090 2.079 1.00 0.00 C ATOM 0 HA PRO A 23 -8.141 2.034 -0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.961 3.180 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.098 4.171 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.903 3.795 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.075 5.294 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.253 4.027 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.377 4.949 1.619 1.00 0.00 H new ATOM 380 N VAL A 24 -7.741 -0.077 0.780 1.00 0.00 N ATOM 381 CA VAL A 24 -7.364 -1.406 1.276 1.00 0.00 C ATOM 382 C VAL A 24 -6.069 -1.919 0.645 1.00 0.00 C ATOM 383 O VAL A 24 -5.687 -3.027 0.972 1.00 0.00 O ATOM 384 CB VAL A 24 -8.513 -2.437 1.106 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.824 -1.914 1.710 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.794 -2.803 -0.356 1.00 0.00 C ATOM 0 H VAL A 24 -8.253 -0.116 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.178 -1.289 2.344 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.167 -3.328 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.609 -2.658 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.684 -1.723 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.111 -0.989 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.608 -3.527 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.076 -1.906 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.898 -3.236 -0.801 1.00 0.00 H new ATOM 396 N HIS A 25 -5.381 -1.178 -0.240 1.00 0.00 N ATOM 397 CA HIS A 25 -4.219 -1.678 -1.014 1.00 0.00 C ATOM 398 C HIS A 25 -3.170 -0.583 -1.195 1.00 0.00 C ATOM 399 O HIS A 25 -3.531 0.556 -1.494 1.00 0.00 O ATOM 400 CB HIS A 25 -4.695 -2.145 -2.404 1.00 0.00 C ATOM 401 CG HIS A 25 -3.868 -3.210 -3.091 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.601 -3.063 -3.634 1.00 0.00 N ATOM 403 CD2 HIS A 25 -4.316 -4.463 -3.412 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.284 -4.214 -4.259 1.00 0.00 C ATOM 405 NE2 HIS A 25 -3.310 -5.082 -4.134 1.00 0.00 N ATOM 0 H HIS A 25 -5.613 -0.206 -0.444 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.772 -2.506 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.714 -2.519 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.737 -1.274 -3.058 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -2.013 -2.232 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.274 -4.888 -3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.357 -4.411 -4.777 1.00 0.00 H new ATOM 414 N PHE A 26 -1.885 -0.917 -1.087 1.00 0.00 N ATOM 415 CA PHE A 26 -0.786 0.004 -1.406 1.00 0.00 C ATOM 416 C PHE A 26 -0.420 -0.098 -2.897 1.00 0.00 C ATOM 417 O PHE A 26 -0.502 -1.184 -3.474 1.00 0.00 O ATOM 418 CB PHE A 26 0.411 -0.314 -0.487 1.00 0.00 C ATOM 419 CG PHE A 26 1.610 0.615 -0.609 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.456 2.011 -0.473 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.897 0.084 -0.825 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.566 2.862 -0.606 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.007 0.935 -0.959 1.00 0.00 C ATOM 424 CZ PHE A 26 3.839 2.328 -0.861 1.00 0.00 C ATOM 0 H PHE A 26 -1.572 -1.836 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.091 1.035 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.065 -0.295 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.742 -1.332 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.481 2.427 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.031 -0.986 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.439 3.930 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.988 0.520 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.687 2.985 -0.982 1.00 0.00 H new ATOM 434 N VAL A 27 -0.026 1.016 -3.523 1.00 0.00 N ATOM 435 CA VAL A 27 0.489 1.041 -4.912 1.00 0.00 C ATOM 436 C VAL A 27 1.961 1.457 -4.955 1.00 0.00 C ATOM 437 O VAL A 27 2.791 0.730 -5.503 1.00 0.00 O ATOM 438 CB VAL A 27 -0.354 1.953 -5.828 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.186 1.994 -7.262 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.811 1.508 -5.919 1.00 0.00 C ATOM 0 H VAL A 27 -0.052 1.936 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 27 0.407 0.023 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.289 2.938 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.440 2.649 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.208 2.374 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.175 0.989 -7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.358 2.185 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.858 0.496 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.259 1.525 -4.926 1.00 0.00 H new ATOM 450 N GLY A 28 2.292 2.636 -4.422 1.00 0.00 N ATOM 451 CA GLY A 28 3.622 3.237 -4.528 1.00 0.00 C ATOM 452 C GLY A 28 3.731 4.554 -3.763 1.00 0.00 C ATOM 453 O GLY A 28 2.805 4.951 -3.054 1.00 0.00 O ATOM 0 H GLY A 28 1.632 3.208 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.365 2.537 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.856 3.410 -5.578 1.00 0.00 H new ATOM 457 N VAL A 29 4.869 5.236 -3.883 1.00 0.00 N ATOM 458 CA VAL A 29 5.179 6.444 -3.105 1.00 0.00 C ATOM 459 C VAL A 29 5.699 7.583 -3.990 1.00 0.00 C ATOM 460 O VAL A 29 6.539 7.367 -4.864 1.00 0.00 O ATOM 461 CB VAL A 29 6.122 6.081 -1.945 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.589 5.874 -2.336 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.020 7.142 -0.866 1.00 0.00 C ATOM 0 H VAL A 29 5.612 4.966 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 29 4.260 6.834 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 29 5.786 5.109 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.170 5.622 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.662 5.062 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.980 6.790 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.687 6.888 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.305 8.110 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.994 7.192 -0.500 1.00 0.00 H new ATOM 473 N GLY A 30 5.157 8.795 -3.808 1.00 0.00 N ATOM 474 CA GLY A 30 5.437 9.962 -4.663 1.00 0.00 C ATOM 475 C GLY A 30 4.896 9.868 -6.103 1.00 0.00 C ATOM 476 O GLY A 30 5.092 10.792 -6.893 1.00 0.00 O ATOM 0 H GLY A 30 4.502 8.998 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.013 10.848 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.516 10.109 -4.707 1.00 0.00 H new ATOM 480 N SER A 31 4.229 8.762 -6.448 1.00 0.00 N ATOM 481 CA SER A 31 3.738 8.361 -7.775 1.00 0.00 C ATOM 482 C SER A 31 2.891 7.080 -7.667 1.00 0.00 C ATOM 483 O SER A 31 2.897 6.408 -6.629 1.00 0.00 O ATOM 484 CB SER A 31 4.911 8.130 -8.747 1.00 0.00 C ATOM 485 OG SER A 31 5.735 7.052 -8.330 1.00 0.00 O ATOM 0 H SER A 31 3.997 8.061 -5.745 1.00 0.00 H new ATOM 0 HA SER A 31 3.118 9.168 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.522 7.926 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.509 9.039 -8.818 1.00 0.00 H new ATOM 0 HG SER A 31 6.467 6.933 -8.970 1.00 0.00 H new ATOM 491 N CYS A 32 2.169 6.723 -8.733 1.00 0.00 N ATOM 492 CA CYS A 32 1.430 5.464 -8.868 1.00 0.00 C ATOM 493 C CYS A 32 2.168 4.498 -9.814 1.00 0.00 C ATOM 494 O CYS A 32 2.299 4.757 -11.013 1.00 0.00 O ATOM 495 CB CYS A 32 0.007 5.753 -9.358 1.00 0.00 C ATOM 496 SG CYS A 32 -1.039 6.690 -8.213 1.00 0.00 S ATOM 0 H CYS A 32 2.080 7.322 -9.553 1.00 0.00 H new ATOM 0 HA CYS A 32 1.367 4.978 -7.894 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.070 6.302 -10.297 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.483 4.804 -9.576 1.00 0.00 H new ATOM 501 N GLY A 33 2.657 3.380 -9.271 1.00 0.00 N ATOM 502 CA GLY A 33 3.430 2.358 -9.988 1.00 0.00 C ATOM 503 C GLY A 33 2.544 1.365 -10.748 1.00 0.00 C ATOM 504 O GLY A 33 2.366 0.227 -10.309 1.00 0.00 O ATOM 0 H GLY A 33 2.522 3.152 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.105 2.847 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.050 1.813 -9.276 1.00 0.00 H new ATOM 508 N SER A 34 1.976 1.798 -11.878 1.00 0.00 N ATOM 509 CA SER A 34 1.160 0.958 -12.773 1.00 0.00 C ATOM 510 C SER A 34 1.972 -0.177 -13.436 1.00 0.00 C ATOM 511 O SER A 34 3.207 -0.144 -13.473 1.00 0.00 O ATOM 512 CB SER A 34 0.507 1.844 -13.844 1.00 0.00 C ATOM 513 OG SER A 34 -0.562 1.167 -14.487 1.00 0.00 O ATOM 0 H SER A 34 2.070 2.759 -12.206 1.00 0.00 H new ATOM 0 HA SER A 34 0.395 0.476 -12.165 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.137 2.761 -13.385 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.253 2.136 -14.583 1.00 0.00 H new ATOM 0 HG SER A 34 -0.961 1.754 -15.163 1.00 0.00 H new ATOM 519 N GLY A 35 1.274 -1.175 -13.988 1.00 0.00 N ATOM 520 CA GLY A 35 1.825 -2.360 -14.663 1.00 0.00 C ATOM 521 C GLY A 35 1.519 -3.683 -13.943 1.00 0.00 C ATOM 522 O GLY A 35 1.049 -3.706 -12.801 1.00 0.00 O ATOM 0 H GLY A 35 0.254 -1.180 -13.976 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.426 -2.408 -15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.906 -2.247 -14.751 1.00 0.00 H new ATOM 526 N GLY A 36 1.801 -4.804 -14.614 1.00 0.00 N ATOM 527 CA GLY A 36 1.521 -6.167 -14.143 1.00 0.00 C ATOM 528 C GLY A 36 2.680 -6.773 -13.347 1.00 0.00 C ATOM 529 O GLY A 36 3.393 -7.643 -13.856 1.00 0.00 O ATOM 0 H GLY A 36 2.246 -4.789 -15.532 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.627 -6.154 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.303 -6.804 -15.000 1.00 0.00 H new ATOM 533 N SER A 37 2.886 -6.313 -12.108 1.00 0.00 N ATOM 534 CA SER A 37 3.916 -6.847 -11.198 1.00 0.00 C ATOM 535 C SER A 37 3.684 -8.324 -10.816 1.00 0.00 C ATOM 536 O SER A 37 2.564 -8.843 -10.893 1.00 0.00 O ATOM 537 CB SER A 37 4.045 -5.970 -9.942 1.00 0.00 C ATOM 538 OG SER A 37 2.909 -6.068 -9.093 1.00 0.00 O ATOM 0 H SER A 37 2.340 -5.553 -11.701 1.00 0.00 H new ATOM 0 HA SER A 37 4.857 -6.817 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.936 -6.264 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.183 -4.931 -10.241 1.00 0.00 H new ATOM 0 HG SER A 37 3.037 -5.495 -8.308 1.00 0.00 H new ATOM 544 N GLY A 38 4.753 -9.007 -10.386 1.00 0.00 N ATOM 545 CA GLY A 38 4.785 -10.443 -10.055 1.00 0.00 C ATOM 546 C GLY A 38 5.100 -10.746 -8.583 1.00 0.00 C ATOM 547 O GLY A 38 5.596 -11.829 -8.267 1.00 0.00 O ATOM 0 H GLY A 38 5.659 -8.558 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.820 -10.883 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.531 -10.932 -10.682 1.00 0.00 H new ATOM 551 N ILE A 39 4.867 -9.780 -7.689 1.00 0.00 N ATOM 552 CA ILE A 39 5.211 -9.838 -6.261 1.00 0.00 C ATOM 553 C ILE A 39 4.411 -10.949 -5.566 1.00 0.00 C ATOM 554 O ILE A 39 3.199 -11.087 -5.748 1.00 0.00 O ATOM 555 CB ILE A 39 4.977 -8.472 -5.568 1.00 0.00 C ATOM 556 CG1 ILE A 39 5.735 -7.332 -6.293 1.00 0.00 C ATOM 557 CG2 ILE A 39 5.408 -8.531 -4.086 1.00 0.00 C ATOM 558 CD1 ILE A 39 5.352 -5.922 -5.823 1.00 0.00 C ATOM 0 H ILE A 39 4.417 -8.902 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 39 6.273 -10.069 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 39 3.909 -8.258 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.806 -7.473 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.547 -7.409 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.235 -7.562 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.826 -9.293 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.467 -8.780 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.928 -5.184 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.288 -5.758 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.567 -5.822 -4.759 1.00 0.00 H new ATOM 570 N PHE A 40 5.117 -11.720 -4.742 1.00 0.00 N ATOM 571 CA PHE A 40 4.608 -12.872 -3.983 1.00 0.00 C ATOM 572 C PHE A 40 5.009 -12.844 -2.492 1.00 0.00 C ATOM 573 O PHE A 40 4.617 -13.721 -1.720 1.00 0.00 O ATOM 574 CB PHE A 40 5.073 -14.150 -4.696 1.00 0.00 C ATOM 575 CG PHE A 40 6.565 -14.427 -4.591 1.00 0.00 C ATOM 576 CD1 PHE A 40 7.455 -13.895 -5.544 1.00 0.00 C ATOM 577 CD2 PHE A 40 7.067 -15.209 -3.531 1.00 0.00 C ATOM 578 CE1 PHE A 40 8.838 -14.131 -5.430 1.00 0.00 C ATOM 579 CE2 PHE A 40 8.448 -15.445 -3.418 1.00 0.00 C ATOM 580 CZ PHE A 40 9.335 -14.905 -4.366 1.00 0.00 C ATOM 0 H PHE A 40 6.109 -11.554 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 40 3.519 -12.835 -3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.529 -14.999 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.803 -14.081 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.075 -13.304 -6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.388 -15.628 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.518 -13.717 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.828 -16.042 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.396 -15.084 -4.277 1.00 0.00 H new ATOM 590 N LEU A 41 5.772 -11.821 -2.080 1.00 0.00 N ATOM 591 CA LEU A 41 6.238 -11.583 -0.707 1.00 0.00 C ATOM 592 C LEU A 41 5.077 -11.308 0.265 1.00 0.00 C ATOM 593 O LEU A 41 5.148 -11.657 1.444 1.00 0.00 O ATOM 594 CB LEU A 41 7.206 -10.380 -0.713 1.00 0.00 C ATOM 595 CG LEU A 41 8.422 -10.498 -1.655 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.208 -9.188 -1.646 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.358 -11.638 -1.256 1.00 0.00 C ATOM 0 H LEU A 41 6.096 -11.102 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 41 6.742 -12.485 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.644 -9.487 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.571 -10.227 0.303 1.00 0.00 H new ATOM 0 HG LEU A 41 8.037 -10.712 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.066 -9.274 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.565 -8.376 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.554 -8.978 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.198 -11.679 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.730 -11.467 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.815 -12.583 -1.287 1.00 0.00 H new ATOM 609 N GLU A 42 4.002 -10.694 -0.239 1.00 0.00 N ATOM 610 CA GLU A 42 2.770 -10.346 0.474 1.00 0.00 C ATOM 611 C GLU A 42 1.528 -10.479 -0.422 1.00 0.00 C ATOM 612 O GLU A 42 1.604 -10.426 -1.652 1.00 0.00 O ATOM 613 CB GLU A 42 2.855 -8.889 0.971 1.00 0.00 C ATOM 614 CG GLU A 42 3.394 -8.784 2.394 1.00 0.00 C ATOM 615 CD GLU A 42 3.484 -7.312 2.826 1.00 0.00 C ATOM 616 OE1 GLU A 42 2.429 -6.750 3.208 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.591 -6.725 2.796 1.00 0.00 O ATOM 0 H GLU A 42 3.967 -10.409 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 42 2.672 -11.040 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.497 -8.317 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.865 -8.436 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.744 -9.331 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.379 -9.247 2.452 1.00 0.00 H new ATOM 624 N THR A 43 0.362 -10.551 0.223 1.00 0.00 N ATOM 625 CA THR A 43 -0.975 -10.422 -0.391 1.00 0.00 C ATOM 626 C THR A 43 -1.267 -8.979 -0.845 1.00 0.00 C ATOM 627 O THR A 43 -2.089 -8.758 -1.734 1.00 0.00 O ATOM 628 CB THR A 43 -2.040 -10.865 0.634 1.00 0.00 C ATOM 629 OG1 THR A 43 -1.712 -12.141 1.146 1.00 0.00 O ATOM 630 CG2 THR A 43 -3.456 -10.977 0.063 1.00 0.00 C ATOM 0 H THR A 43 0.314 -10.707 1.230 1.00 0.00 H new ATOM 0 HA THR A 43 -1.004 -11.056 -1.277 1.00 0.00 H new ATOM 0 HB THR A 43 -2.037 -10.086 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.390 -12.416 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.141 -11.293 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.770 -10.008 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.466 -11.710 -0.744 1.00 0.00 H new ATOM 638 N SER A 44 -0.598 -7.987 -0.236 1.00 0.00 N ATOM 639 CA SER A 44 -0.835 -6.539 -0.394 1.00 0.00 C ATOM 640 C SER A 44 -2.307 -6.127 -0.169 1.00 0.00 C ATOM 641 O SER A 44 -2.781 -5.141 -0.732 1.00 0.00 O ATOM 642 CB SER A 44 -0.249 -6.056 -1.730 1.00 0.00 C ATOM 643 OG SER A 44 0.073 -4.673 -1.671 1.00 0.00 O ATOM 0 H SER A 44 0.163 -8.181 0.415 1.00 0.00 H new ATOM 0 HA SER A 44 -0.303 -6.021 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.645 -6.632 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.966 -6.233 -2.532 1.00 0.00 H new ATOM 0 HG SER A 44 -0.695 -4.173 -1.325 1.00 0.00 H new ATOM 649 N LEU A 45 -3.021 -6.884 0.683 1.00 0.00 N ATOM 650 CA LEU A 45 -4.445 -6.756 1.029 1.00 0.00 C ATOM 651 C LEU A 45 -5.363 -6.742 -0.220 1.00 0.00 C ATOM 652 O LEU A 45 -5.732 -5.696 -0.758 1.00 0.00 O ATOM 653 CB LEU A 45 -4.627 -5.555 1.977 1.00 0.00 C ATOM 654 CG LEU A 45 -4.005 -5.705 3.379 1.00 0.00 C ATOM 655 CD1 LEU A 45 -2.547 -5.230 3.420 1.00 0.00 C ATOM 656 CD2 LEU A 45 -4.755 -4.831 4.376 1.00 0.00 C ATOM 0 H LEU A 45 -2.584 -7.658 1.184 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.772 -7.645 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.197 -4.673 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.694 -5.366 2.092 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.064 -6.765 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.152 -5.355 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.953 -5.819 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.499 -4.178 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.310 -4.942 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.692 -3.788 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.801 -5.136 4.413 1.00 0.00 H new ATOM 668 N SER A 46 -5.731 -7.945 -0.679 1.00 0.00 N ATOM 669 CA SER A 46 -6.535 -8.190 -1.891 1.00 0.00 C ATOM 670 C SER A 46 -7.833 -8.967 -1.610 1.00 0.00 C ATOM 671 O SER A 46 -8.920 -8.491 -1.948 1.00 0.00 O ATOM 672 CB SER A 46 -5.667 -8.908 -2.932 1.00 0.00 C ATOM 673 OG SER A 46 -6.366 -9.035 -4.159 1.00 0.00 O ATOM 0 H SER A 46 -5.469 -8.808 -0.202 1.00 0.00 H new ATOM 0 HA SER A 46 -6.855 -7.224 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.743 -8.352 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.387 -9.894 -2.562 1.00 0.00 H new ATOM 0 HG SER A 46 -5.798 -9.494 -4.813 1.00 0.00 H new ATOM 679 N ALA A 47 -7.744 -10.146 -0.979 1.00 0.00 N ATOM 680 CA ALA A 47 -8.869 -11.049 -0.706 1.00 0.00 C ATOM 681 C ALA A 47 -9.074 -11.258 0.808 1.00 0.00 C ATOM 682 O ALA A 47 -8.177 -11.737 1.507 1.00 0.00 O ATOM 683 CB ALA A 47 -8.630 -12.371 -1.449 1.00 0.00 C ATOM 0 H ALA A 47 -6.856 -10.509 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.793 -10.602 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.459 -13.052 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.561 -12.179 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.701 -12.822 -1.100 1.00 0.00 H new ATOM 689 N GLY A 48 -10.253 -10.881 1.319 1.00 0.00 N ATOM 690 CA GLY A 48 -10.633 -11.009 2.736 1.00 0.00 C ATOM 691 C GLY A 48 -9.954 -10.012 3.690 1.00 0.00 C ATOM 692 O GLY A 48 -10.102 -10.133 4.910 1.00 0.00 O ATOM 0 H GLY A 48 -10.989 -10.468 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.713 -10.887 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.400 -12.021 3.068 1.00 0.00 H new ATOM 696 N SER A 49 -9.199 -9.043 3.166 1.00 0.00 N ATOM 697 CA SER A 49 -8.488 -7.990 3.886 1.00 0.00 C ATOM 698 C SER A 49 -9.362 -6.749 4.108 1.00 0.00 C ATOM 699 O SER A 49 -10.490 -6.664 3.611 1.00 0.00 O ATOM 700 CB SER A 49 -7.265 -7.618 3.050 1.00 0.00 C ATOM 701 OG SER A 49 -7.625 -7.398 1.694 1.00 0.00 O ATOM 0 H SER A 49 -9.061 -8.971 2.158 1.00 0.00 H new ATOM 0 HA SER A 49 -8.206 -8.355 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.801 -6.720 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.523 -8.415 3.109 1.00 0.00 H new ATOM 0 HG SER A 49 -7.545 -6.444 1.485 1.00 0.00 H new ATOM 707 N ASP A 50 -8.835 -5.759 4.830 1.00 0.00 N ATOM 708 CA ASP A 50 -9.506 -4.486 5.078 1.00 0.00 C ATOM 709 C ASP A 50 -8.532 -3.320 5.336 1.00 0.00 C ATOM 710 O ASP A 50 -7.382 -3.479 5.743 1.00 0.00 O ATOM 711 CB ASP A 50 -10.511 -4.663 6.233 1.00 0.00 C ATOM 712 CG ASP A 50 -9.899 -5.254 7.516 1.00 0.00 C ATOM 713 OD1 ASP A 50 -8.936 -4.663 8.053 1.00 0.00 O ATOM 714 OD2 ASP A 50 -10.399 -6.299 7.999 1.00 0.00 O ATOM 0 H ASP A 50 -7.915 -5.822 5.265 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.040 -4.206 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.953 -3.694 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.322 -5.311 5.899 1.00 0.00 H new ATOM 719 N TRP A 51 -9.034 -2.107 5.118 1.00 0.00 N ATOM 720 CA TRP A 51 -8.392 -0.833 5.458 1.00 0.00 C ATOM 721 C TRP A 51 -8.020 -0.729 6.952 1.00 0.00 C ATOM 722 O TRP A 51 -7.012 -0.114 7.312 1.00 0.00 O ATOM 723 CB TRP A 51 -9.339 0.310 5.053 1.00 0.00 C ATOM 724 CG TRP A 51 -9.306 1.504 5.954 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.248 1.829 6.869 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.246 2.497 6.091 1.00 0.00 C ATOM 727 NE1 TRP A 51 -9.829 2.938 7.576 1.00 0.00 N ATOM 728 CE2 TRP A 51 -8.636 3.432 7.090 1.00 0.00 C ATOM 729 CE3 TRP A 51 -6.991 2.693 5.485 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -7.860 4.554 7.414 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.182 3.789 5.831 1.00 0.00 C ATOM 732 CH2 TRP A 51 -6.620 4.732 6.777 1.00 0.00 C ATOM 0 H TRP A 51 -9.945 -1.976 4.678 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.452 -0.765 4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.088 0.629 4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.358 -0.076 5.022 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.180 1.304 7.022 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.339 3.343 8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.644 1.990 4.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.210 5.271 8.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.215 3.908 5.366 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.007 5.589 7.013 1.00 0.00 H new ATOM 743 N LEU A 52 -8.820 -1.324 7.842 1.00 0.00 N ATOM 744 CA LEU A 52 -8.591 -1.273 9.285 1.00 0.00 C ATOM 745 C LEU A 52 -7.221 -1.875 9.649 1.00 0.00 C ATOM 746 O LEU A 52 -6.455 -1.264 10.391 1.00 0.00 O ATOM 747 CB LEU A 52 -9.777 -1.942 10.012 1.00 0.00 C ATOM 748 CG LEU A 52 -10.334 -1.167 11.222 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.290 -0.935 12.315 1.00 0.00 C ATOM 750 CD2 LEU A 52 -10.951 0.177 10.824 1.00 0.00 C ATOM 0 H LEU A 52 -9.649 -1.857 7.578 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.548 -0.237 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.584 -2.090 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.464 -2.930 10.348 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.117 -1.810 11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.743 -0.385 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.923 -1.895 12.678 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.459 -0.359 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.328 0.682 11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.193 0.799 10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.772 0.008 10.127 1.00 0.00 H new ATOM 762 N THR A 53 -6.873 -3.023 9.062 1.00 0.00 N ATOM 763 CA THR A 53 -5.559 -3.677 9.175 1.00 0.00 C ATOM 764 C THR A 53 -4.480 -3.108 8.241 1.00 0.00 C ATOM 765 O THR A 53 -3.305 -3.162 8.606 1.00 0.00 O ATOM 766 CB THR A 53 -5.665 -5.199 8.975 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.356 -5.543 7.794 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.381 -5.874 10.145 1.00 0.00 C ATOM 0 H THR A 53 -7.521 -3.545 8.472 1.00 0.00 H new ATOM 0 HA THR A 53 -5.235 -3.459 10.193 1.00 0.00 H new ATOM 0 HB THR A 53 -4.636 -5.551 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.314 -5.372 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.436 -6.948 9.967 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.829 -5.687 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.389 -5.469 10.237 1.00 0.00 H new ATOM 776 N PHE A 54 -4.829 -2.482 7.105 1.00 0.00 N ATOM 777 CA PHE A 54 -3.894 -1.788 6.191 1.00 0.00 C ATOM 778 C PHE A 54 -2.999 -0.788 6.931 1.00 0.00 C ATOM 779 O PHE A 54 -1.785 -0.742 6.709 1.00 0.00 O ATOM 780 CB PHE A 54 -4.690 -1.057 5.093 1.00 0.00 C ATOM 781 CG PHE A 54 -3.894 -0.128 4.200 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.284 -0.612 3.031 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.800 1.238 4.525 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.558 0.268 2.212 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.100 2.123 3.687 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.467 1.634 2.535 1.00 0.00 C ATOM 0 H PHE A 54 -5.796 -2.441 6.784 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.246 -2.543 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.175 -1.805 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.482 -0.479 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.373 -1.655 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.269 1.609 5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.066 -0.107 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.050 3.174 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.911 2.305 1.897 1.00 0.00 H new ATOM 796 N GLN A 55 -3.599 -0.018 7.841 1.00 0.00 N ATOM 797 CA GLN A 55 -2.905 0.921 8.722 1.00 0.00 C ATOM 798 C GLN A 55 -1.850 0.202 9.564 1.00 0.00 C ATOM 799 O GLN A 55 -0.658 0.450 9.404 1.00 0.00 O ATOM 800 CB GLN A 55 -3.919 1.633 9.626 1.00 0.00 C ATOM 801 CG GLN A 55 -4.803 2.599 8.836 1.00 0.00 C ATOM 802 CD GLN A 55 -6.125 2.801 9.554 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.301 3.684 10.384 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.093 1.961 9.277 1.00 0.00 N ATOM 0 H GLN A 55 -4.608 -0.031 7.989 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.395 1.662 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.545 0.892 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.389 2.180 10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.294 3.556 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.980 2.206 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.947 1.225 8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.992 2.043 9.753 1.00 0.00 H new ATOM 813 N LYS A 56 -2.276 -0.731 10.427 1.00 0.00 N ATOM 814 CA LYS A 56 -1.353 -1.475 11.316 1.00 0.00 C ATOM 815 C LYS A 56 -0.261 -2.261 10.564 1.00 0.00 C ATOM 816 O LYS A 56 0.791 -2.538 11.143 1.00 0.00 O ATOM 817 CB LYS A 56 -2.107 -2.389 12.306 1.00 0.00 C ATOM 818 CG LYS A 56 -2.950 -1.607 13.333 1.00 0.00 C ATOM 819 CD LYS A 56 -4.389 -1.337 12.858 1.00 0.00 C ATOM 820 CE LYS A 56 -4.874 0.093 13.138 1.00 0.00 C ATOM 821 NZ LYS A 56 -5.035 0.365 14.592 1.00 0.00 N ATOM 0 H LYS A 56 -3.256 -0.994 10.533 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.836 -0.705 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.759 -3.060 11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.387 -3.012 12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.982 -2.166 14.268 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.461 -0.657 13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.450 -1.529 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.062 -2.042 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.164 0.804 12.715 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.826 0.256 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.364 1.342 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.732 -0.294 14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.121 0.237 15.072 1.00 0.00 H new ATOM 835 N LYS A 57 -0.471 -2.577 9.279 1.00 0.00 N ATOM 836 CA LYS A 57 0.509 -3.223 8.389 1.00 0.00 C ATOM 837 C LYS A 57 1.746 -2.366 8.077 1.00 0.00 C ATOM 838 O LYS A 57 2.855 -2.889 8.158 1.00 0.00 O ATOM 839 CB LYS A 57 -0.183 -3.703 7.094 1.00 0.00 C ATOM 840 CG LYS A 57 -0.205 -5.234 6.976 1.00 0.00 C ATOM 841 CD LYS A 57 1.187 -5.827 6.694 1.00 0.00 C ATOM 842 CE LYS A 57 1.109 -7.330 6.390 1.00 0.00 C ATOM 843 NZ LYS A 57 0.554 -7.592 5.037 1.00 0.00 N ATOM 0 H LYS A 57 -1.357 -2.384 8.813 1.00 0.00 H new ATOM 0 HA LYS A 57 0.896 -4.082 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.205 -3.325 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.334 -3.282 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.597 -5.660 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.888 -5.523 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.640 -5.307 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.835 -5.662 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.104 -7.768 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.487 -7.820 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.627 -8.607 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.445 -7.303 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.091 -7.049 4.331 1.00 0.00 H new ATOM 857 N HIS A 58 1.596 -1.091 7.684 1.00 0.00 N ATOM 858 CA HIS A 58 2.740 -0.241 7.279 1.00 0.00 C ATOM 859 C HIS A 58 2.558 1.277 7.493 1.00 0.00 C ATOM 860 O HIS A 58 3.245 2.087 6.877 1.00 0.00 O ATOM 861 CB HIS A 58 3.103 -0.568 5.820 1.00 0.00 C ATOM 862 CG HIS A 58 2.133 0.027 4.835 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.384 1.167 4.099 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.829 -0.349 4.632 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.239 1.486 3.464 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.286 0.582 3.769 1.00 0.00 N ATOM 0 H HIS A 58 0.693 -0.620 7.636 1.00 0.00 H new ATOM 0 HA HIS A 58 3.561 -0.488 7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.105 -0.197 5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.130 -1.650 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.327 -1.203 5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.105 2.336 2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.673 0.585 3.421 1.00 0.00 H new ATOM 875 N ILE A 59 1.637 1.696 8.351 1.00 0.00 N ATOM 876 CA ILE A 59 1.363 3.101 8.703 1.00 0.00 C ATOM 877 C ILE A 59 1.449 3.247 10.225 1.00 0.00 C ATOM 878 O ILE A 59 1.174 2.308 10.975 1.00 0.00 O ATOM 879 CB ILE A 59 -0.009 3.558 8.138 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.059 3.273 6.614 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.317 5.035 8.455 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.094 4.067 5.808 1.00 0.00 C ATOM 0 H ILE A 59 1.029 1.045 8.847 1.00 0.00 H new ATOM 0 HA ILE A 59 2.108 3.755 8.249 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.791 2.982 8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.927 3.474 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.256 2.210 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.288 5.302 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.335 5.179 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.454 5.669 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.034 3.782 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.093 3.851 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.892 5.134 5.907 1.00 0.00 H new ATOM 894 N THR A 60 1.841 4.429 10.694 1.00 0.00 N ATOM 895 CA THR A 60 1.877 4.750 12.128 1.00 0.00 C ATOM 896 C THR A 60 1.505 6.205 12.412 1.00 0.00 C ATOM 897 O THR A 60 1.646 7.082 11.560 1.00 0.00 O ATOM 898 CB THR A 60 3.247 4.379 12.725 1.00 0.00 C ATOM 899 OG1 THR A 60 3.231 4.632 14.110 1.00 0.00 O ATOM 900 CG2 THR A 60 4.428 5.133 12.110 1.00 0.00 C ATOM 0 H THR A 60 2.144 5.196 10.094 1.00 0.00 H new ATOM 0 HA THR A 60 1.115 4.146 12.621 1.00 0.00 H new ATOM 0 HB THR A 60 3.397 3.323 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.108 4.967 14.392 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.353 4.812 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.478 4.921 11.042 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.294 6.204 12.262 1.00 0.00 H new ATOM 908 N ASN A 61 1.049 6.472 13.638 1.00 0.00 N ATOM 909 CA ASN A 61 0.839 7.802 14.197 1.00 0.00 C ATOM 910 C ASN A 61 2.075 8.307 14.985 1.00 0.00 C ATOM 911 O ASN A 61 2.024 9.374 15.597 1.00 0.00 O ATOM 912 CB ASN A 61 -0.426 7.739 15.069 1.00 0.00 C ATOM 913 CG ASN A 61 -1.681 7.235 14.362 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.460 6.477 14.922 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.951 7.621 13.133 1.00 0.00 N ATOM 0 H ASN A 61 0.806 5.730 14.295 1.00 0.00 H new ATOM 0 HA ASN A 61 0.702 8.528 13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.226 7.093 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.626 8.736 15.463 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.795 7.288 12.668 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.316 8.253 12.646 1.00 0.00 H new ATOM 922 N THR A 62 3.179 7.547 14.989 1.00 0.00 N ATOM 923 CA THR A 62 4.494 7.908 15.550 1.00 0.00 C ATOM 924 C THR A 62 5.607 7.021 14.963 1.00 0.00 C ATOM 925 O THR A 62 5.640 5.809 15.197 1.00 0.00 O ATOM 926 CB THR A 62 4.481 7.861 17.093 1.00 0.00 C ATOM 927 OG1 THR A 62 5.762 8.192 17.588 1.00 0.00 O ATOM 928 CG2 THR A 62 4.048 6.533 17.731 1.00 0.00 C ATOM 0 H THR A 62 3.182 6.613 14.579 1.00 0.00 H new ATOM 0 HA THR A 62 4.708 8.937 15.263 1.00 0.00 H new ATOM 0 HB THR A 62 3.717 8.585 17.375 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.752 8.163 18.568 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.079 6.624 18.817 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.033 6.292 17.416 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.724 5.739 17.414 1.00 0.00 H new ATOM 936 N ARG A 63 6.516 7.585 14.149 1.00 0.00 N ATOM 937 CA ARG A 63 7.709 6.861 13.669 1.00 0.00 C ATOM 938 C ARG A 63 8.666 6.566 14.834 1.00 0.00 C ATOM 939 O ARG A 63 9.434 7.430 15.256 1.00 0.00 O ATOM 940 CB ARG A 63 8.411 7.618 12.525 1.00 0.00 C ATOM 941 CG ARG A 63 9.565 6.773 11.965 1.00 0.00 C ATOM 942 CD ARG A 63 10.362 7.510 10.891 1.00 0.00 C ATOM 943 NE ARG A 63 11.164 8.623 11.441 1.00 0.00 N ATOM 944 CZ ARG A 63 12.358 8.563 12.009 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.991 7.438 12.193 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.950 9.651 12.408 1.00 0.00 N ATOM 0 H ARG A 63 6.448 8.544 13.808 1.00 0.00 H new ATOM 0 HA ARG A 63 7.383 5.906 13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.696 7.841 11.733 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.792 8.572 12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.233 6.491 12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.165 5.849 11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.023 6.805 10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.677 7.899 10.138 1.00 0.00 H new ATOM 0 HE ARG A 63 10.746 9.551 11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.567 6.560 11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.910 7.436 12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.494 10.555 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.870 9.600 12.845 1.00 0.00 H new ATOM 960 N ASP A 64 8.643 5.325 15.315 1.00 0.00 N ATOM 961 CA ASP A 64 9.507 4.804 16.388 1.00 0.00 C ATOM 962 C ASP A 64 10.493 3.715 15.902 1.00 0.00 C ATOM 963 O ASP A 64 11.233 3.122 16.691 1.00 0.00 O ATOM 964 CB ASP A 64 8.604 4.324 17.537 1.00 0.00 C ATOM 965 CG ASP A 64 9.371 4.047 18.843 1.00 0.00 C ATOM 966 OD1 ASP A 64 10.074 4.960 19.343 1.00 0.00 O ATOM 967 OD2 ASP A 64 9.225 2.935 19.409 1.00 0.00 O ATOM 0 H ASP A 64 7.998 4.621 14.957 1.00 0.00 H new ATOM 0 HA ASP A 64 10.155 5.604 16.745 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.839 5.077 17.726 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.088 3.415 17.228 1.00 0.00 H new ATOM 972 N VAL A 65 10.517 3.443 14.592 1.00 0.00 N ATOM 973 CA VAL A 65 11.410 2.461 13.957 1.00 0.00 C ATOM 974 C VAL A 65 12.870 2.944 13.903 1.00 0.00 C ATOM 975 O VAL A 65 13.152 4.109 13.616 1.00 0.00 O ATOM 976 CB VAL A 65 10.880 2.064 12.561 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.611 3.252 11.633 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.838 1.106 11.851 1.00 0.00 C ATOM 0 H VAL A 65 9.902 3.910 13.926 1.00 0.00 H new ATOM 0 HA VAL A 65 11.411 1.568 14.582 1.00 0.00 H new ATOM 0 HB VAL A 65 9.926 1.576 12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.242 2.888 10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.865 3.905 12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.535 3.809 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.435 0.847 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.808 1.587 11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.955 0.200 12.446 1.00 0.00 H new ATOM 988 N ASP A 66 13.798 2.007 14.121 1.00 0.00 N ATOM 989 CA ASP A 66 15.258 2.169 13.981 1.00 0.00 C ATOM 990 C ASP A 66 15.901 1.066 13.099 1.00 0.00 C ATOM 991 O ASP A 66 17.123 0.968 12.994 1.00 0.00 O ATOM 992 CB ASP A 66 15.869 2.221 15.391 1.00 0.00 C ATOM 993 CG ASP A 66 17.316 2.746 15.414 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.575 3.843 14.859 1.00 0.00 O ATOM 995 OD2 ASP A 66 18.190 2.102 16.043 1.00 0.00 O ATOM 0 H ASP A 66 13.543 1.064 14.415 1.00 0.00 H new ATOM 0 HA ASP A 66 15.468 3.101 13.456 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.250 2.857 16.023 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.847 1.221 15.825 1.00 0.00 H new ATOM 1000 N CYS A 67 15.070 0.230 12.456 1.00 0.00 N ATOM 1001 CA CYS A 67 15.419 -0.904 11.584 1.00 0.00 C ATOM 1002 C CYS A 67 16.454 -1.872 12.207 1.00 0.00 C ATOM 1003 O CYS A 67 17.431 -2.274 11.577 1.00 0.00 O ATOM 1004 CB CYS A 67 15.778 -0.388 10.183 1.00 0.00 C ATOM 1005 SG CYS A 67 14.589 0.810 9.516 1.00 0.00 S ATOM 0 H CYS A 67 14.059 0.337 12.538 1.00 0.00 H new ATOM 0 HA CYS A 67 14.540 -1.539 11.475 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.764 0.074 10.218 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.847 -1.235 9.501 1.00 0.00 H new ATOM 1010 N ASP A 68 16.207 -2.239 13.469 1.00 0.00 N ATOM 1011 CA ASP A 68 16.995 -3.146 14.321 1.00 0.00 C ATOM 1012 C ASP A 68 16.183 -3.643 15.537 1.00 0.00 C ATOM 1013 O ASP A 68 16.403 -4.753 16.015 1.00 0.00 O ATOM 1014 CB ASP A 68 18.258 -2.427 14.833 1.00 0.00 C ATOM 1015 CG ASP A 68 19.490 -2.606 13.921 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.816 -3.762 13.558 1.00 0.00 O ATOM 1017 OD2 ASP A 68 20.195 -1.606 13.647 1.00 0.00 O ATOM 0 H ASP A 68 15.388 -1.884 13.963 1.00 0.00 H new ATOM 0 HA ASP A 68 17.268 -4.006 13.709 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.043 -1.363 14.933 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.498 -2.799 15.829 1.00 0.00 H new ATOM 1022 N ASN A 69 15.212 -2.862 16.026 1.00 0.00 N ATOM 1023 CA ASN A 69 14.359 -3.183 17.178 1.00 0.00 C ATOM 1024 C ASN A 69 12.920 -3.575 16.797 1.00 0.00 C ATOM 1025 O ASN A 69 12.112 -3.898 17.663 1.00 0.00 O ATOM 1026 CB ASN A 69 14.437 -2.041 18.212 1.00 0.00 C ATOM 1027 CG ASN A 69 14.103 -0.629 17.747 1.00 0.00 C ATOM 1028 OD1 ASN A 69 14.733 0.333 18.154 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.104 -0.421 16.919 1.00 0.00 N ATOM 0 H ASN A 69 14.990 -1.955 15.615 1.00 0.00 H new ATOM 0 HA ASN A 69 14.749 -4.088 17.643 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.766 -2.289 19.034 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.448 -2.028 18.619 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.870 0.529 16.630 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.562 -1.210 16.565 1.00 0.00 H new ATOM 1036 N ILE A 70 12.597 -3.600 15.497 1.00 0.00 N ATOM 1037 CA ILE A 70 11.282 -4.005 14.957 1.00 0.00 C ATOM 1038 C ILE A 70 10.897 -5.454 15.292 1.00 0.00 C ATOM 1039 O ILE A 70 9.731 -5.825 15.166 1.00 0.00 O ATOM 1040 CB ILE A 70 11.197 -3.724 13.442 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.129 -4.635 12.604 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.454 -2.223 13.220 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.360 -4.150 11.170 1.00 0.00 C ATOM 0 H ILE A 70 13.258 -3.333 14.768 1.00 0.00 H new ATOM 0 HA ILE A 70 10.541 -3.386 15.463 1.00 0.00 H new ATOM 0 HB ILE A 70 10.199 -3.973 13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.092 -4.712 13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.704 -5.638 12.572 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.399 -1.998 12.155 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.701 -1.642 13.753 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.444 -1.964 13.595 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.023 -4.844 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.406 -4.100 10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.815 -3.160 11.190 1.00 0.00 H new ATOM 1055 N MET A 71 11.845 -6.248 15.799 1.00 0.00 N ATOM 1056 CA MET A 71 11.611 -7.593 16.350 1.00 0.00 C ATOM 1057 C MET A 71 10.560 -7.656 17.480 1.00 0.00 C ATOM 1058 O MET A 71 9.949 -8.708 17.677 1.00 0.00 O ATOM 1059 CB MET A 71 12.943 -8.234 16.779 1.00 0.00 C ATOM 1060 CG MET A 71 13.661 -7.534 17.944 1.00 0.00 C ATOM 1061 SD MET A 71 13.016 -7.890 19.604 1.00 0.00 S ATOM 1062 CE MET A 71 13.938 -6.656 20.561 1.00 0.00 C ATOM 0 H MET A 71 12.825 -5.968 15.840 1.00 0.00 H new ATOM 0 HA MET A 71 11.173 -8.175 15.539 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.755 -9.271 17.059 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.613 -8.252 15.919 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.714 -7.814 17.917 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.613 -6.457 17.780 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.664 -6.732 21.613 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.008 -6.835 20.451 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.698 -5.658 20.195 1.00 0.00 H new ATOM 1072 N SER A 72 10.309 -6.548 18.194 1.00 0.00 N ATOM 1073 CA SER A 72 9.278 -6.447 19.245 1.00 0.00 C ATOM 1074 C SER A 72 7.941 -5.857 18.761 1.00 0.00 C ATOM 1075 O SER A 72 6.972 -5.812 19.522 1.00 0.00 O ATOM 1076 CB SER A 72 9.822 -5.654 20.442 1.00 0.00 C ATOM 1077 OG SER A 72 10.100 -4.304 20.106 1.00 0.00 O ATOM 0 H SER A 72 10.825 -5.679 18.056 1.00 0.00 H new ATOM 0 HA SER A 72 9.051 -7.469 19.549 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.097 -5.683 21.255 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.731 -6.130 20.809 1.00 0.00 H new ATOM 0 HG SER A 72 10.795 -4.275 19.416 1.00 0.00 H new ATOM 1083 N THR A 73 7.872 -5.410 17.502 1.00 0.00 N ATOM 1084 CA THR A 73 6.670 -4.855 16.846 1.00 0.00 C ATOM 1085 C THR A 73 5.945 -5.919 16.007 1.00 0.00 C ATOM 1086 O THR A 73 6.353 -7.081 15.965 1.00 0.00 O ATOM 1087 CB THR A 73 7.017 -3.638 15.963 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.663 -4.047 14.779 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.889 -2.590 16.654 1.00 0.00 C ATOM 0 H THR A 73 8.682 -5.423 16.882 1.00 0.00 H new ATOM 0 HA THR A 73 6.002 -4.525 17.641 1.00 0.00 H new ATOM 0 HB THR A 73 6.058 -3.169 15.743 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.373 -4.686 14.998 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.086 -1.769 15.965 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.371 -2.209 17.534 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.833 -3.044 16.957 1.00 0.00 H new ATOM 1097 N ASN A 74 4.882 -5.533 15.290 1.00 0.00 N ATOM 1098 CA ASN A 74 4.219 -6.384 14.290 1.00 0.00 C ATOM 1099 C ASN A 74 5.112 -6.727 13.075 1.00 0.00 C ATOM 1100 O ASN A 74 4.825 -7.676 12.343 1.00 0.00 O ATOM 1101 CB ASN A 74 2.928 -5.688 13.817 1.00 0.00 C ATOM 1102 CG ASN A 74 1.985 -5.346 14.959 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.355 -6.206 15.558 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.872 -4.084 15.305 1.00 0.00 N ATOM 0 H ASN A 74 4.453 -4.613 15.388 1.00 0.00 H new ATOM 0 HA ASN A 74 3.995 -7.334 14.775 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.189 -4.774 13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.412 -6.335 13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.258 -3.819 16.075 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.399 -3.369 14.804 1.00 0.00 H new ATOM 1111 N LEU A 75 6.193 -5.971 12.850 1.00 0.00 N ATOM 1112 CA LEU A 75 7.026 -5.994 11.640 1.00 0.00 C ATOM 1113 C LEU A 75 8.238 -6.949 11.725 1.00 0.00 C ATOM 1114 O LEU A 75 9.108 -6.925 10.851 1.00 0.00 O ATOM 1115 CB LEU A 75 7.461 -4.548 11.314 1.00 0.00 C ATOM 1116 CG LEU A 75 6.361 -3.495 11.055 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.184 -4.027 10.242 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.825 -2.816 12.316 1.00 0.00 C ATOM 0 H LEU A 75 6.527 -5.295 13.537 1.00 0.00 H new ATOM 0 HA LEU A 75 6.420 -6.399 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.075 -4.191 12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.102 -4.584 10.433 1.00 0.00 H new ATOM 0 HG LEU A 75 6.886 -2.743 10.466 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.451 -3.233 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.539 -4.372 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.720 -4.857 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.057 -2.092 12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.395 -3.567 12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.640 -2.304 12.828 1.00 0.00 H new ATOM 1130 N PHE A 76 8.288 -7.817 12.739 1.00 0.00 N ATOM 1131 CA PHE A 76 9.373 -8.750 13.074 1.00 0.00 C ATOM 1132 C PHE A 76 9.656 -9.832 12.019 1.00 0.00 C ATOM 1133 O PHE A 76 10.646 -10.557 12.121 1.00 0.00 O ATOM 1134 CB PHE A 76 9.045 -9.427 14.411 1.00 0.00 C ATOM 1135 CG PHE A 76 7.941 -10.474 14.364 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.586 -10.091 14.389 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.270 -11.842 14.299 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.570 -11.061 14.350 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.255 -12.815 14.262 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.904 -12.426 14.289 1.00 0.00 C ATOM 0 H PHE A 76 7.514 -7.893 13.398 1.00 0.00 H new ATOM 0 HA PHE A 76 10.280 -8.147 13.124 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.952 -9.898 14.792 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.761 -8.657 15.128 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.326 -9.044 14.439 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.306 -12.145 14.277 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.533 -10.759 14.367 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.514 -13.862 14.213 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.125 -13.173 14.263 1.00 0.00 H new ATOM 1150 N HIS A 77 8.799 -9.938 10.998 1.00 0.00 N ATOM 1151 CA HIS A 77 8.802 -10.978 9.957 1.00 0.00 C ATOM 1152 C HIS A 77 10.071 -11.001 9.068 1.00 0.00 C ATOM 1153 O HIS A 77 10.212 -11.896 8.234 1.00 0.00 O ATOM 1154 CB HIS A 77 7.511 -10.807 9.122 1.00 0.00 C ATOM 1155 CG HIS A 77 6.979 -12.081 8.508 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.704 -13.000 7.773 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.690 -12.532 8.595 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.873 -14.001 7.427 1.00 0.00 C ATOM 1159 NE2 HIS A 77 5.639 -13.735 7.911 1.00 0.00 N ATOM 0 H HIS A 77 8.043 -9.266 10.866 1.00 0.00 H new ATOM 0 HA HIS A 77 8.823 -11.950 10.449 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.738 -10.377 9.759 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.703 -10.089 8.325 1.00 0.00 H new ATOM 0 HD1 HIS A 77 8.693 -12.932 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.870 -12.044 9.100 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.148 -14.875 6.855 1.00 0.00 H new ATOM 1168 N CYS A 78 10.966 -10.014 9.204 1.00 0.00 N ATOM 1169 CA CYS A 78 12.083 -9.697 8.292 1.00 0.00 C ATOM 1170 C CYS A 78 11.730 -9.870 6.793 1.00 0.00 C ATOM 1171 O CYS A 78 12.320 -10.656 6.045 1.00 0.00 O ATOM 1172 CB CYS A 78 13.389 -10.382 8.737 1.00 0.00 C ATOM 1173 SG CYS A 78 14.830 -10.019 7.678 1.00 0.00 S ATOM 0 H CYS A 78 10.932 -9.375 9.999 1.00 0.00 H new ATOM 0 HA CYS A 78 12.272 -8.627 8.376 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.617 -10.074 9.758 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.231 -11.460 8.757 1.00 0.00 H new ATOM 1178 N LYS A 79 10.740 -9.086 6.350 1.00 0.00 N ATOM 1179 CA LYS A 79 10.493 -8.759 4.934 1.00 0.00 C ATOM 1180 C LYS A 79 11.605 -7.874 4.341 1.00 0.00 C ATOM 1181 O LYS A 79 12.344 -7.217 5.073 1.00 0.00 O ATOM 1182 CB LYS A 79 9.079 -8.160 4.767 1.00 0.00 C ATOM 1183 CG LYS A 79 8.615 -7.148 5.831 1.00 0.00 C ATOM 1184 CD LYS A 79 9.407 -5.829 5.873 1.00 0.00 C ATOM 1185 CE LYS A 79 10.391 -5.670 7.047 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.699 -5.480 8.352 1.00 0.00 N ATOM 0 H LYS A 79 10.069 -8.648 6.981 1.00 0.00 H new ATOM 0 HA LYS A 79 10.525 -9.680 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.031 -7.673 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.364 -8.982 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.565 -6.917 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.677 -7.622 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.965 -5.733 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.697 -5.003 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.029 -6.552 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.042 -4.817 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.135 -4.687 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.693 -5.274 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.785 -6.347 8.920 1.00 0.00 H new ATOM 1200 N ASP A 80 11.699 -7.834 3.012 1.00 0.00 N ATOM 1201 CA ASP A 80 12.778 -7.177 2.248 1.00 0.00 C ATOM 1202 C ASP A 80 12.816 -5.645 2.385 1.00 0.00 C ATOM 1203 O ASP A 80 13.895 -5.048 2.354 1.00 0.00 O ATOM 1204 CB ASP A 80 12.645 -7.551 0.763 1.00 0.00 C ATOM 1205 CG ASP A 80 12.943 -9.038 0.510 1.00 0.00 C ATOM 1206 OD1 ASP A 80 12.062 -9.886 0.784 1.00 0.00 O ATOM 1207 OD2 ASP A 80 14.061 -9.359 0.039 1.00 0.00 O ATOM 0 H ASP A 80 11.003 -8.273 2.408 1.00 0.00 H new ATOM 0 HA ASP A 80 13.714 -7.540 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.636 -7.321 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.328 -6.940 0.173 1.00 0.00 H new ATOM 1212 N LYS A 81 11.651 -5.008 2.553 1.00 0.00 N ATOM 1213 CA LYS A 81 11.496 -3.590 2.914 1.00 0.00 C ATOM 1214 C LYS A 81 10.100 -3.281 3.455 1.00 0.00 C ATOM 1215 O LYS A 81 9.154 -4.020 3.180 1.00 0.00 O ATOM 1216 CB LYS A 81 11.810 -2.670 1.711 1.00 0.00 C ATOM 1217 CG LYS A 81 11.079 -3.048 0.413 1.00 0.00 C ATOM 1218 CD LYS A 81 10.868 -1.857 -0.538 1.00 0.00 C ATOM 1219 CE LYS A 81 9.857 -0.851 0.040 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.608 0.297 -0.869 1.00 0.00 N ATOM 0 H LYS A 81 10.755 -5.482 2.437 1.00 0.00 H new ATOM 0 HA LYS A 81 12.215 -3.392 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.549 -1.645 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.884 -2.688 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.648 -3.820 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.110 -3.480 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.820 -1.357 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.513 -2.218 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.915 -1.362 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.226 -0.479 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.859 0.899 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.481 0.853 -0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.310 -0.056 -1.801 1.00 0.00 H new ATOM 1234 N ASN A 82 9.959 -2.169 4.178 1.00 0.00 N ATOM 1235 CA ASN A 82 8.663 -1.638 4.616 1.00 0.00 C ATOM 1236 C ASN A 82 8.587 -0.124 4.387 1.00 0.00 C ATOM 1237 O ASN A 82 9.388 0.628 4.945 1.00 0.00 O ATOM 1238 CB ASN A 82 8.406 -2.008 6.095 1.00 0.00 C ATOM 1239 CG ASN A 82 6.941 -2.315 6.385 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.224 -2.901 5.590 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.453 -1.973 7.552 1.00 0.00 N ATOM 0 H ASN A 82 10.751 -1.603 4.481 1.00 0.00 H new ATOM 0 HA ASN A 82 7.876 -2.094 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.012 -2.875 6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.732 -1.186 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.486 -2.197 7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.040 -1.483 8.227 1.00 0.00 H new ATOM 1248 N THR A 83 7.642 0.328 3.559 1.00 0.00 N ATOM 1249 CA THR A 83 7.356 1.757 3.374 1.00 0.00 C ATOM 1250 C THR A 83 6.445 2.254 4.507 1.00 0.00 C ATOM 1251 O THR A 83 5.221 2.093 4.432 1.00 0.00 O ATOM 1252 CB THR A 83 6.669 2.018 2.020 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.380 1.435 0.943 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.573 3.518 1.758 1.00 0.00 C ATOM 0 H THR A 83 7.052 -0.285 2.997 1.00 0.00 H new ATOM 0 HA THR A 83 8.303 2.296 3.391 1.00 0.00 H new ATOM 0 HB THR A 83 5.678 1.568 2.080 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.414 2.066 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.086 3.689 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.991 3.989 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.574 3.949 1.739 1.00 0.00 H new ATOM 1262 N PHE A 84 7.015 2.834 5.566 1.00 0.00 N ATOM 1263 CA PHE A 84 6.241 3.431 6.661 1.00 0.00 C ATOM 1264 C PHE A 84 5.748 4.836 6.311 1.00 0.00 C ATOM 1265 O PHE A 84 6.528 5.701 5.902 1.00 0.00 O ATOM 1266 CB PHE A 84 7.024 3.492 7.973 1.00 0.00 C ATOM 1267 CG PHE A 84 7.403 2.162 8.575 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.411 1.312 9.101 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.761 1.808 8.666 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.786 0.131 9.766 1.00 0.00 C ATOM 1271 CE2 PHE A 84 9.122 0.581 9.247 1.00 0.00 C ATOM 1272 CZ PHE A 84 8.142 -0.242 9.830 1.00 0.00 C ATOM 0 H PHE A 84 8.025 2.904 5.690 1.00 0.00 H new ATOM 0 HA PHE A 84 5.384 2.772 6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.935 4.066 7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.431 4.044 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.367 1.566 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.522 2.476 8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.033 -0.490 10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.156 0.269 9.246 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.429 -1.158 10.326 1.00 0.00 H new ATOM 1282 N ILE A 85 4.458 5.075 6.538 1.00 0.00 N ATOM 1283 CA ILE A 85 3.799 6.379 6.403 1.00 0.00 C ATOM 1284 C ILE A 85 3.511 6.906 7.813 1.00 0.00 C ATOM 1285 O ILE A 85 2.730 6.298 8.547 1.00 0.00 O ATOM 1286 CB ILE A 85 2.513 6.231 5.557 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.842 5.765 4.118 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.693 7.534 5.515 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.620 5.201 3.389 1.00 0.00 C ATOM 0 H ILE A 85 3.816 4.339 6.832 1.00 0.00 H new ATOM 0 HA ILE A 85 4.436 7.095 5.884 1.00 0.00 H new ATOM 0 HB ILE A 85 1.905 5.469 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.243 6.605 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.621 5.004 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.799 7.382 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.402 7.814 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.296 8.330 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.907 4.889 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.233 4.343 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.849 5.969 3.324 1.00 0.00 H new ATOM 1301 N TYR A 86 4.135 8.016 8.210 1.00 0.00 N ATOM 1302 CA TYR A 86 3.744 8.755 9.413 1.00 0.00 C ATOM 1303 C TYR A 86 2.656 9.785 9.064 1.00 0.00 C ATOM 1304 O TYR A 86 2.953 10.905 8.635 1.00 0.00 O ATOM 1305 CB TYR A 86 4.981 9.352 10.099 1.00 0.00 C ATOM 1306 CG TYR A 86 4.740 10.232 11.320 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.563 10.127 12.093 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.714 11.187 11.673 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.343 11.005 13.170 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.506 12.052 12.764 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.314 11.969 13.513 1.00 0.00 C ATOM 1312 OH TYR A 86 4.109 12.817 14.560 1.00 0.00 O ATOM 0 H TYR A 86 4.923 8.427 7.709 1.00 0.00 H new ATOM 0 HA TYR A 86 3.299 8.081 10.145 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.632 8.530 10.397 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.527 9.940 9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.829 9.370 11.857 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.628 11.256 11.102 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.426 10.941 13.737 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.260 12.779 13.027 1.00 0.00 H new ATOM 0 HH TYR A 86 4.881 13.413 14.654 1.00 0.00 H new ATOM 1322 N SER A 87 1.386 9.383 9.206 1.00 0.00 N ATOM 1323 CA SER A 87 0.208 10.241 8.995 1.00 0.00 C ATOM 1324 C SER A 87 -0.974 9.879 9.917 1.00 0.00 C ATOM 1325 O SER A 87 -0.859 9.055 10.829 1.00 0.00 O ATOM 1326 CB SER A 87 -0.202 10.189 7.515 1.00 0.00 C ATOM 1327 OG SER A 87 -1.042 11.282 7.191 1.00 0.00 O ATOM 0 H SER A 87 1.141 8.431 9.477 1.00 0.00 H new ATOM 0 HA SER A 87 0.487 11.260 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.687 10.208 6.885 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.719 9.252 7.308 1.00 0.00 H new ATOM 0 HG SER A 87 -0.654 11.782 6.443 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.118 10.530 9.690 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.441 10.291 10.292 1.00 0.00 C ATOM 1335 C ARG A 88 -4.340 9.480 9.343 1.00 0.00 C ATOM 1336 O ARG A 88 -4.081 9.467 8.141 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.071 11.669 10.575 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.354 12.440 11.691 1.00 0.00 C ATOM 1339 CD ARG A 88 -3.509 11.746 13.057 1.00 0.00 C ATOM 1340 NE ARG A 88 -3.657 12.715 14.161 1.00 0.00 N ATOM 1341 CZ ARG A 88 -4.762 13.343 14.533 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -5.893 13.200 13.898 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -4.755 14.139 15.562 1.00 0.00 N ATOM 0 H ARG A 88 -2.150 11.303 9.026 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.337 9.714 11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.055 12.264 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.117 11.534 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.295 12.531 11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.756 13.452 11.750 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.379 11.090 13.033 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.639 11.116 13.243 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.815 12.924 14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.947 12.587 13.084 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.723 13.701 14.215 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.894 14.283 16.089 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.611 14.619 15.842 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.435 8.861 9.824 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.370 8.132 8.960 1.00 0.00 C ATOM 1359 C PRO A 89 -7.222 9.033 8.049 1.00 0.00 C ATOM 1360 O PRO A 89 -7.651 8.592 6.988 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.245 7.315 9.917 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.215 8.115 11.217 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.804 8.698 11.226 1.00 0.00 C ATOM 0 HA PRO A 89 -5.818 7.509 8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.261 7.209 9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.851 6.309 10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.975 8.896 11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.396 7.482 12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.778 9.653 11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.109 8.033 11.739 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.455 10.297 8.421 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.299 11.239 7.665 1.00 0.00 C ATOM 1373 C GLU A 90 -7.763 11.525 6.245 1.00 0.00 C ATOM 1374 O GLU A 90 -8.472 11.215 5.284 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.536 12.530 8.472 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.535 12.320 9.615 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.734 13.620 10.419 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.574 14.464 10.021 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.055 13.803 11.460 1.00 0.00 O ATOM 0 H GLU A 90 -7.058 10.704 9.268 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.265 10.755 7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.588 12.881 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.906 13.310 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.491 11.988 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.177 11.531 10.276 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.525 12.036 6.058 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.961 12.323 4.730 1.00 0.00 C ATOM 1388 C PRO A 91 -5.639 11.082 3.884 1.00 0.00 C ATOM 1389 O PRO A 91 -5.160 11.222 2.761 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.688 13.135 4.997 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.244 12.667 6.378 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.566 12.406 7.091 1.00 0.00 C ATOM 0 HA PRO A 91 -6.702 12.858 4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.924 12.941 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.886 14.207 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.631 11.768 6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.652 13.425 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.460 11.608 7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.898 13.293 7.630 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.897 9.881 4.406 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.735 8.579 3.744 1.00 0.00 C ATOM 1402 C VAL A 92 -7.097 8.051 3.287 1.00 0.00 C ATOM 1403 O VAL A 92 -7.319 7.831 2.098 1.00 0.00 O ATOM 1404 CB VAL A 92 -5.046 7.587 4.702 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.706 6.281 3.980 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.726 8.124 5.278 1.00 0.00 C ATOM 0 H VAL A 92 -6.246 9.782 5.359 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.105 8.696 2.863 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.760 7.430 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.221 5.596 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.621 5.826 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.034 6.490 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.290 7.380 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.032 8.333 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.918 9.041 5.835 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.040 7.872 4.213 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.371 7.319 3.928 1.00 0.00 C ATOM 1418 C LYS A 93 -10.235 8.259 3.079 1.00 0.00 C ATOM 1419 O LYS A 93 -10.939 7.800 2.182 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.065 6.940 5.247 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.746 5.570 5.133 1.00 0.00 C ATOM 1422 CD LYS A 93 -11.483 5.124 6.395 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.719 5.894 6.810 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.352 7.051 7.672 1.00 0.00 N ATOM 0 H LYS A 93 -7.902 8.109 5.195 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.239 6.420 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.334 6.921 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.805 7.698 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.454 5.598 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -9.992 4.823 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.769 4.081 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.776 5.158 7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.248 6.247 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.401 5.235 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.655 6.866 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.321 7.188 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.823 7.909 7.320 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.160 9.569 3.334 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.967 10.591 2.659 1.00 0.00 C ATOM 1440 C ALA A 94 -10.479 10.962 1.243 1.00 0.00 C ATOM 1441 O ALA A 94 -11.152 11.731 0.553 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.030 11.837 3.545 1.00 0.00 C ATOM 0 H ALA A 94 -9.523 9.957 4.030 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.958 10.161 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.628 12.604 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.485 11.581 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.022 12.215 3.713 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.341 10.414 0.785 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.881 10.539 -0.614 1.00 0.00 C ATOM 1450 C ILE A 95 -9.985 10.092 -1.596 1.00 0.00 C ATOM 1451 O ILE A 95 -10.160 10.702 -2.653 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.569 9.747 -0.857 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.439 10.168 0.104 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -7.061 9.948 -2.296 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.219 9.232 0.081 1.00 0.00 C ATOM 0 H ILE A 95 -8.710 9.870 1.374 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.666 11.592 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.818 8.701 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.115 11.177 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.835 10.208 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.140 9.382 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.816 9.598 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.867 11.007 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.468 9.595 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.527 8.226 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.796 9.210 -0.923 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.776 9.079 -1.216 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.945 8.604 -1.956 1.00 0.00 C ATOM 1469 C CYS A 96 -13.272 8.854 -1.214 1.00 0.00 C ATOM 1470 O CYS A 96 -13.312 9.004 0.011 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.754 7.123 -2.292 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.406 5.984 -0.929 1.00 0.00 S ATOM 0 H CYS A 96 -10.611 8.553 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.020 9.181 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.656 6.775 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.937 7.045 -3.010 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.374 8.878 -1.979 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.750 9.107 -1.506 1.00 0.00 C ATOM 1479 C LYS A 97 -16.760 8.450 -2.460 1.00 0.00 C ATOM 1480 O LYS A 97 -16.959 8.920 -3.580 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.988 10.629 -1.369 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.194 10.988 -0.483 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.871 10.865 1.015 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.058 11.354 1.857 1.00 0.00 C ATOM 1485 NZ LYS A 97 -17.730 11.371 3.307 1.00 0.00 N ATOM 0 H LYS A 97 -14.330 8.732 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.891 8.647 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.093 11.092 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.137 11.055 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.513 12.007 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.030 10.333 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.644 9.828 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.983 11.450 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.344 12.356 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.918 10.707 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.554 11.706 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.481 10.410 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.925 12.008 3.473 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.340 7.318 -2.054 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.307 6.547 -2.858 1.00 0.00 C ATOM 1501 C GLY A 98 -17.681 5.578 -3.872 1.00 0.00 C ATOM 1502 O GLY A 98 -18.405 4.962 -4.653 1.00 0.00 O ATOM 0 H GLY A 98 -17.151 6.900 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.947 5.979 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.949 7.245 -3.394 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.350 5.431 -3.881 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.608 4.582 -4.829 1.00 0.00 C ATOM 1508 C ILE A 99 -15.733 3.096 -4.457 1.00 0.00 C ATOM 1509 O ILE A 99 -15.298 2.662 -3.388 1.00 0.00 O ATOM 1510 CB ILE A 99 -14.134 5.041 -4.956 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -14.094 6.495 -5.491 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.352 4.087 -5.880 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.694 7.068 -5.753 1.00 0.00 C ATOM 0 H ILE A 99 -15.743 5.909 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.058 4.698 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.659 5.015 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.664 6.537 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.603 7.140 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.318 4.423 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.375 3.079 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.809 4.083 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.782 8.089 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.121 7.068 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.183 6.455 -6.495 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.309 2.314 -5.373 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.442 0.841 -5.328 1.00 0.00 C ATOM 1527 C ILE A 100 -15.642 0.179 -6.482 1.00 0.00 C ATOM 1528 O ILE A 100 -15.473 -1.038 -6.535 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.946 0.429 -5.325 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.814 1.402 -4.485 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.122 -0.994 -4.767 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.284 1.010 -4.285 1.00 0.00 C ATOM 0 H ILE A 100 -16.722 2.707 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.009 0.474 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.280 0.467 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.353 1.509 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.784 2.383 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.179 -1.260 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.566 -1.699 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.745 -1.033 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.784 1.768 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.776 0.935 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.338 0.048 -3.775 1.00 0.00 H new ATOM 1544 N ALA A 101 -15.086 0.989 -7.389 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.428 0.604 -8.643 1.00 0.00 C ATOM 1546 C ALA A 101 -12.993 0.039 -8.502 1.00 0.00 C ATOM 1547 O ALA A 101 -12.315 -0.162 -9.513 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.440 1.841 -9.556 1.00 0.00 C ATOM 0 H ALA A 101 -15.083 2.001 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.988 -0.232 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.959 1.599 -10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.470 2.147 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.900 2.655 -9.073 1.00 0.00 H new ATOM 1554 N SER A 102 -12.509 -0.214 -7.279 1.00 0.00 N ATOM 1555 CA SER A 102 -11.130 -0.637 -6.965 1.00 0.00 C ATOM 1556 C SER A 102 -10.038 0.252 -7.611 1.00 0.00 C ATOM 1557 O SER A 102 -9.226 -0.214 -8.417 1.00 0.00 O ATOM 1558 CB SER A 102 -10.946 -2.149 -7.206 1.00 0.00 C ATOM 1559 OG SER A 102 -11.166 -2.557 -8.550 1.00 0.00 O ATOM 0 H SER A 102 -13.088 -0.127 -6.444 1.00 0.00 H new ATOM 0 HA SER A 102 -10.981 -0.474 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.935 -2.431 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.630 -2.695 -6.556 1.00 0.00 H new ATOM 0 HG SER A 102 -11.457 -1.787 -9.082 1.00 0.00 H new ATOM 1565 N LYS A 103 -10.008 1.550 -7.261 1.00 0.00 N ATOM 1566 CA LYS A 103 -9.052 2.571 -7.756 1.00 0.00 C ATOM 1567 C LYS A 103 -8.956 3.742 -6.769 1.00 0.00 C ATOM 1568 O LYS A 103 -9.896 3.984 -6.025 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.511 3.043 -9.153 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.589 4.107 -9.778 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.871 4.388 -11.261 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.350 3.264 -12.168 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.496 3.612 -13.606 1.00 0.00 N ATOM 0 H LYS A 103 -10.677 1.939 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.055 2.139 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.562 2.182 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.520 3.448 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.692 5.036 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.554 3.783 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.944 4.506 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.404 5.330 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.301 3.071 -11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.895 2.344 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.135 2.831 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.500 3.772 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.955 4.477 -13.811 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.844 4.473 -6.732 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.735 5.768 -6.045 1.00 0.00 C ATOM 1589 C ASN A 104 -6.942 6.791 -6.883 1.00 0.00 C ATOM 1590 O ASN A 104 -6.618 6.544 -8.048 1.00 0.00 O ATOM 1591 CB ASN A 104 -7.103 5.545 -4.656 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.727 6.385 -3.554 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.380 7.385 -3.794 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.542 5.996 -2.314 1.00 0.00 N ATOM 0 H ASN A 104 -6.977 4.182 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.731 6.192 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.193 4.491 -4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.038 5.770 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.946 6.532 -1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.994 5.158 -2.119 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.600 7.928 -6.276 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.672 8.934 -6.804 1.00 0.00 C ATOM 1603 C VAL A 105 -4.530 9.147 -5.803 1.00 0.00 C ATOM 1604 O VAL A 105 -4.732 9.077 -4.590 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.444 10.228 -7.151 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -7.074 10.924 -5.936 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.574 11.236 -7.908 1.00 0.00 C ATOM 0 H VAL A 105 -6.977 8.186 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.216 8.592 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.255 9.889 -7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.597 11.823 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.780 10.247 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.292 11.196 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.160 12.128 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.715 11.509 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.227 10.789 -8.840 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.317 9.387 -6.303 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.165 9.832 -5.512 1.00 0.00 C ATOM 1619 C LEU A 106 -2.505 11.081 -4.671 1.00 0.00 C ATOM 1620 O LEU A 106 -3.205 11.984 -5.139 1.00 0.00 O ATOM 1621 CB LEU A 106 -1.009 10.109 -6.500 1.00 0.00 C ATOM 1622 CG LEU A 106 0.322 10.585 -5.891 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.021 9.471 -5.125 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.243 11.089 -6.998 1.00 0.00 C ATOM 0 H LEU A 106 -3.101 9.275 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.875 9.061 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.818 9.196 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.345 10.861 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 106 0.098 11.390 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.957 9.846 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.377 9.127 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.230 8.641 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.184 11.425 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.437 10.282 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.766 11.920 -7.518 1.00 0.00 H new ATOM 1636 N THR A 107 -1.986 11.154 -3.441 1.00 0.00 N ATOM 1637 CA THR A 107 -2.097 12.357 -2.586 1.00 0.00 C ATOM 1638 C THR A 107 -1.407 13.598 -3.188 1.00 0.00 C ATOM 1639 O THR A 107 -0.684 13.523 -4.181 1.00 0.00 O ATOM 1640 CB THR A 107 -1.567 12.124 -1.154 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.921 10.885 -0.988 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.698 12.165 -0.130 1.00 0.00 C ATOM 0 H THR A 107 -1.477 10.386 -3.004 1.00 0.00 H new ATOM 0 HA THR A 107 -3.168 12.554 -2.535 1.00 0.00 H new ATOM 0 HB THR A 107 -0.850 12.930 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.363 10.379 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.292 11.998 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.185 13.140 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.426 11.387 -0.361 1.00 0.00 H new ATOM 1650 N THR A 108 -1.598 14.760 -2.556 1.00 0.00 N ATOM 1651 CA THR A 108 -1.018 16.058 -2.977 1.00 0.00 C ATOM 1652 C THR A 108 -0.066 16.665 -1.933 1.00 0.00 C ATOM 1653 O THR A 108 0.923 17.311 -2.292 1.00 0.00 O ATOM 1654 CB THR A 108 -2.139 17.034 -3.387 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.611 18.214 -3.956 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.059 17.458 -2.237 1.00 0.00 C ATOM 0 H THR A 108 -2.172 14.836 -1.717 1.00 0.00 H new ATOM 0 HA THR A 108 -0.393 15.867 -3.850 1.00 0.00 H new ATOM 0 HB THR A 108 -2.729 16.470 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.345 18.813 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.818 18.144 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.543 16.577 -1.814 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.471 17.955 -1.465 1.00 0.00 H new ATOM 1664 N SER A 109 -0.309 16.403 -0.646 1.00 0.00 N ATOM 1665 CA SER A 109 0.519 16.847 0.487 1.00 0.00 C ATOM 1666 C SER A 109 1.772 15.979 0.663 1.00 0.00 C ATOM 1667 O SER A 109 1.918 14.932 0.032 1.00 0.00 O ATOM 1668 CB SER A 109 -0.313 16.828 1.778 1.00 0.00 C ATOM 1669 OG SER A 109 -1.447 17.673 1.647 1.00 0.00 O ATOM 0 H SER A 109 -1.117 15.856 -0.350 1.00 0.00 H new ATOM 0 HA SER A 109 0.851 17.863 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.634 15.809 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.299 17.157 2.618 1.00 0.00 H new ATOM 0 HG SER A 109 -1.969 17.650 2.476 1.00 0.00 H new ATOM 1675 N GLU A 110 2.690 16.401 1.535 1.00 0.00 N ATOM 1676 CA GLU A 110 3.979 15.739 1.774 1.00 0.00 C ATOM 1677 C GLU A 110 4.092 15.259 3.230 1.00 0.00 C ATOM 1678 O GLU A 110 4.203 16.063 4.159 1.00 0.00 O ATOM 1679 CB GLU A 110 5.141 16.657 1.356 1.00 0.00 C ATOM 1680 CG GLU A 110 4.962 17.224 -0.062 1.00 0.00 C ATOM 1681 CD GLU A 110 6.251 17.862 -0.614 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.826 18.765 0.042 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.674 17.490 -1.736 1.00 0.00 O ATOM 0 H GLU A 110 2.557 17.233 2.110 1.00 0.00 H new ATOM 0 HA GLU A 110 4.039 14.846 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.223 17.480 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.076 16.099 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.642 16.425 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.167 17.970 -0.053 1.00 0.00 H new ATOM 1690 N PHE A 111 4.017 13.940 3.431 1.00 0.00 N ATOM 1691 CA PHE A 111 3.975 13.275 4.741 1.00 0.00 C ATOM 1692 C PHE A 111 5.359 12.714 5.099 1.00 0.00 C ATOM 1693 O PHE A 111 6.199 12.530 4.214 1.00 0.00 O ATOM 1694 CB PHE A 111 2.916 12.155 4.712 1.00 0.00 C ATOM 1695 CG PHE A 111 1.577 12.564 4.120 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.389 12.499 2.728 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.517 12.998 4.939 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.168 12.879 2.153 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.713 13.372 4.365 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.887 13.311 2.970 1.00 0.00 C ATOM 0 H PHE A 111 3.982 13.278 2.656 1.00 0.00 H new ATOM 0 HA PHE A 111 3.700 13.999 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.310 11.315 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.755 11.799 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.193 12.153 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.648 13.044 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.040 12.839 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.524 13.706 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.831 13.596 2.529 1.00 0.00 H new ATOM 1710 N TYR A 112 5.609 12.417 6.379 1.00 0.00 N ATOM 1711 CA TYR A 112 6.891 11.858 6.823 1.00 0.00 C ATOM 1712 C TYR A 112 7.036 10.411 6.329 1.00 0.00 C ATOM 1713 O TYR A 112 6.333 9.507 6.793 1.00 0.00 O ATOM 1714 CB TYR A 112 7.044 11.970 8.349 1.00 0.00 C ATOM 1715 CG TYR A 112 8.053 13.008 8.803 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.812 14.378 8.576 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.232 12.599 9.458 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.749 15.340 9.006 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.168 13.558 9.892 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.930 14.931 9.668 1.00 0.00 C ATOM 1721 OH TYR A 112 10.840 15.851 10.094 1.00 0.00 O ATOM 0 H TYR A 112 4.934 12.556 7.131 1.00 0.00 H new ATOM 0 HA TYR A 112 7.701 12.440 6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.073 12.211 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.338 10.998 8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.909 14.691 8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.418 11.549 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.565 16.389 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.069 13.242 10.397 1.00 0.00 H new ATOM 0 HH TYR A 112 11.589 15.393 10.529 1.00 0.00 H new ATOM 1731 N LEU A 113 7.922 10.207 5.353 1.00 0.00 N ATOM 1732 CA LEU A 113 8.147 8.926 4.689 1.00 0.00 C ATOM 1733 C LEU A 113 9.403 8.221 5.217 1.00 0.00 C ATOM 1734 O LEU A 113 10.488 8.808 5.292 1.00 0.00 O ATOM 1735 CB LEU A 113 8.216 9.149 3.167 1.00 0.00 C ATOM 1736 CG LEU A 113 7.255 8.265 2.366 1.00 0.00 C ATOM 1737 CD1 LEU A 113 7.473 6.774 2.604 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.789 8.617 2.624 1.00 0.00 C ATOM 0 H LEU A 113 8.519 10.952 4.994 1.00 0.00 H new ATOM 0 HA LEU A 113 7.311 8.263 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.996 10.195 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.235 8.961 2.828 1.00 0.00 H new ATOM 0 HG LEU A 113 7.487 8.475 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.761 6.203 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.488 6.504 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.325 6.549 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.148 7.962 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.564 8.486 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.608 9.654 2.340 1.00 0.00 H new ATOM 1750 N SER A 114 9.259 6.945 5.568 1.00 0.00 N ATOM 1751 CA SER A 114 10.296 6.155 6.232 1.00 0.00 C ATOM 1752 C SER A 114 10.406 4.767 5.606 1.00 0.00 C ATOM 1753 O SER A 114 9.651 3.852 5.925 1.00 0.00 O ATOM 1754 CB SER A 114 10.011 6.124 7.734 1.00 0.00 C ATOM 1755 OG SER A 114 10.966 5.336 8.429 1.00 0.00 O ATOM 0 H SER A 114 8.402 6.420 5.396 1.00 0.00 H new ATOM 0 HA SER A 114 11.273 6.617 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.020 7.140 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.012 5.724 7.908 1.00 0.00 H new ATOM 0 HG SER A 114 10.548 4.940 9.222 1.00 0.00 H new ATOM 1761 N ASP A 115 11.335 4.614 4.666 1.00 0.00 N ATOM 1762 CA ASP A 115 11.709 3.315 4.110 1.00 0.00 C ATOM 1763 C ASP A 115 12.795 2.637 4.964 1.00 0.00 C ATOM 1764 O ASP A 115 13.525 3.284 5.717 1.00 0.00 O ATOM 1765 CB ASP A 115 12.240 3.508 2.683 1.00 0.00 C ATOM 1766 CG ASP A 115 11.176 4.032 1.712 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.352 3.214 1.244 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.199 5.243 1.384 1.00 0.00 O ATOM 0 H ASP A 115 11.854 5.395 4.265 1.00 0.00 H new ATOM 0 HA ASP A 115 10.825 2.677 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.078 4.204 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.625 2.558 2.313 1.00 0.00 H new ATOM 1773 N CYS A 116 12.959 1.331 4.780 1.00 0.00 N ATOM 1774 CA CYS A 116 14.182 0.594 5.109 1.00 0.00 C ATOM 1775 C CYS A 116 14.299 -0.617 4.179 1.00 0.00 C ATOM 1776 O CYS A 116 13.305 -1.306 3.971 1.00 0.00 O ATOM 1777 CB CYS A 116 14.152 0.171 6.584 1.00 0.00 C ATOM 1778 SG CYS A 116 15.222 1.197 7.631 1.00 0.00 S ATOM 0 H CYS A 116 12.228 0.737 4.388 1.00 0.00 H new ATOM 0 HA CYS A 116 15.057 1.228 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 116 13.128 0.228 6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.463 -0.871 6.665 1.00 0.00 H new ATOM 1783 N ASN A 117 15.485 -0.874 3.622 1.00 0.00 N ATOM 1784 CA ASN A 117 15.747 -1.945 2.648 1.00 0.00 C ATOM 1785 C ASN A 117 16.808 -2.911 3.187 1.00 0.00 C ATOM 1786 O ASN A 117 17.853 -2.459 3.654 1.00 0.00 O ATOM 1787 CB ASN A 117 16.200 -1.325 1.312 1.00 0.00 C ATOM 1788 CG ASN A 117 15.072 -0.671 0.536 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.432 -1.283 -0.304 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.799 0.594 0.769 1.00 0.00 N ATOM 0 H ASN A 117 16.318 -0.327 3.841 1.00 0.00 H new ATOM 0 HA ASN A 117 14.831 -2.512 2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.973 -0.583 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.653 -2.101 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.055 1.059 0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.331 1.110 1.470 1.00 0.00 H new ATOM 1797 N VAL A 118 16.549 -4.221 3.144 1.00 0.00 N ATOM 1798 CA VAL A 118 17.465 -5.264 3.661 1.00 0.00 C ATOM 1799 C VAL A 118 18.850 -5.195 2.993 1.00 0.00 C ATOM 1800 O VAL A 118 18.965 -4.901 1.801 1.00 0.00 O ATOM 1801 CB VAL A 118 16.832 -6.664 3.492 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.806 -7.842 3.634 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.742 -6.895 4.539 1.00 0.00 C ATOM 0 H VAL A 118 15.690 -4.600 2.746 1.00 0.00 H new ATOM 0 HA VAL A 118 17.618 -5.077 4.724 1.00 0.00 H new ATOM 0 HB VAL A 118 16.451 -6.649 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.266 -8.779 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.587 -7.761 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.258 -7.823 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.310 -7.886 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.175 -6.823 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.963 -6.141 4.426 1.00 0.00 H new ATOM 1813 N THR A 119 19.904 -5.509 3.756 1.00 0.00 N ATOM 1814 CA THR A 119 21.299 -5.582 3.274 1.00 0.00 C ATOM 1815 C THR A 119 22.032 -6.830 3.792 1.00 0.00 C ATOM 1816 O THR A 119 22.831 -6.789 4.732 1.00 0.00 O ATOM 1817 CB THR A 119 22.052 -4.257 3.502 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.379 -4.328 3.027 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.076 -3.737 4.939 1.00 0.00 C ATOM 0 H THR A 119 19.814 -5.725 4.749 1.00 0.00 H new ATOM 0 HA THR A 119 21.270 -5.712 2.192 1.00 0.00 H new ATOM 0 HB THR A 119 21.464 -3.540 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.829 -3.472 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.633 -2.801 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.055 -3.567 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.557 -4.472 5.584 1.00 0.00 H new ATOM 1827 N SER A 120 21.739 -7.967 3.154 1.00 0.00 N ATOM 1828 CA SER A 120 22.404 -9.273 3.348 1.00 0.00 C ATOM 1829 C SER A 120 23.892 -9.250 2.964 1.00 0.00 C ATOM 1830 O SER A 120 24.232 -8.726 1.878 1.00 0.00 O ATOM 1831 CB SER A 120 21.693 -10.357 2.535 1.00 0.00 C ATOM 1832 OG SER A 120 20.336 -10.449 2.940 1.00 0.00 O ATOM 1833 OXT SER A 120 24.714 -9.790 3.740 1.00 0.00 O ATOM 0 H SER A 120 20.998 -8.011 2.454 1.00 0.00 H new ATOM 0 HA SER A 120 22.341 -9.495 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.750 -10.123 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.190 -11.316 2.677 1.00 0.00 H new ATOM 0 HG SER A 120 19.884 -11.143 2.416 1.00 0.00 H new TER 1839 SER A 120