USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1067 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 33 LYS NZ :NH3+ -114:sc= 0.811 (180deg=-0.0258) USER MOD Set 1.2: A 115 GLN : amide:sc= -1.73! K(o=-0.92!,f=-2) USER MOD Set 2.1: A 111 ASN : amide:sc= -0.461 K(o=-0.9,f=-11!) USER MOD Set 2.2: A 113 HIS : no HE2:sc= -0.444 K(o=-0.9,f=-1.9) USER MOD Set 3.1: A 40 TYR OH : rot -16:sc= 0.208 USER MOD Set 3.2: A 110 THR OG1 : rot 64:sc= -0.203! USER MOD Set 4.1: A 96 TYR OH : rot 30:sc= 0.904 USER MOD Set 4.2: A 119 TYR OH : rot -112:sc= 1.05 USER MOD Set 5.1: A 84 ASN : amide:sc= 1 K(o=2.2,f=-2.1) USER MOD Set 5.2: A 88 SER OG : rot 127:sc= 1.23 USER MOD Set 6.1: A 8 GLN : amide:sc= 0.608 K(o=0.95,f=-2.9) USER MOD Set 6.2: A 57 ASN : amide:sc= 0.341 K(o=0.95,f=-2.3) USER MOD Set 7.1: A 38 SER OG : rot -68:sc= 0.923 USER MOD Set 7.2: A 39 HIS : no HD1:sc= 0.481 K(o=1.4,f=-0.35) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.09) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00342 F(o=-1.3!,f=-0.0034) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.803) USER MOD Single : A 21 ASN : amide:sc= 1.08 K(o=1.1,f=-0.034) USER MOD Single : A 24 ASN : amide:sc= -4.93! C(o=-4.9!,f=-6!) USER MOD Single : A 25 TYR OH : rot 163:sc= -0.725 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.146 F(o=-3.5!,f=-0.15) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.561 USER MOD Single : A 30 SER OG : rot 82:sc= 1.24 USER MOD Single : A 35 HIS : no HE2:sc= 0.476 K(o=0.48,f=-2!) USER MOD Single : A 36 ASN : amide:sc= -2.01 K(o=-2,f=-4.4!) USER MOD Single : A 42 TYR OH : rot 55:sc= 0.116 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 48 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.1!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 54 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0298) USER MOD Single : A 55 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.037) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -160:sc= 0.0567 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 4:sc= 0.546 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.0135) USER MOD Single : A 77 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 82 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 1.2 (180deg=0.975) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 0.968 (180deg=0.879) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 94 GLN : amide:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 99 ASN : amide:sc= -0.975 X(o=-0.98,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc= 0.915 (180deg=0.783) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -115:sc= 0.795 USER MOD Single : A 124 ASN : amide:sc= 0.505 K(o=0.5,f=-4.7!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -170:sc= -0.137 USER MOD Single : A 131 SER OG : rot 16:sc= 0.451 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.188 F(o=-1.3,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -4.042 14.578 -15.155 1.00 0.00 N ATOM 2 CA ASP A 7 -5.225 13.764 -14.911 1.00 0.00 C ATOM 3 C ASP A 7 -5.226 13.265 -13.471 1.00 0.00 C ATOM 4 O ASP A 7 -4.184 13.261 -12.815 1.00 0.00 O ATOM 5 CB ASP A 7 -5.266 12.586 -15.890 1.00 0.00 C ATOM 6 CG ASP A 7 -6.490 11.715 -15.695 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.577 12.090 -16.183 1.00 0.00 O ATOM 8 OD2 ASP A 7 -6.377 10.664 -15.036 1.00 0.00 O ATOM 0 HA ASP A 7 -6.115 14.373 -15.068 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.253 12.966 -16.912 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.369 11.980 -15.763 1.00 0.00 H new ATOM 13 N GLN A 8 -6.390 12.843 -12.992 1.00 0.00 N ATOM 14 CA GLN A 8 -6.545 12.385 -11.616 1.00 0.00 C ATOM 15 C GLN A 8 -5.552 11.265 -11.298 1.00 0.00 C ATOM 16 O GLN A 8 -5.011 11.196 -10.191 1.00 0.00 O ATOM 17 CB GLN A 8 -7.979 11.907 -11.397 1.00 0.00 C ATOM 18 CG GLN A 8 -8.432 11.978 -9.950 1.00 0.00 C ATOM 19 CD GLN A 8 -9.878 11.553 -9.773 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.380 10.693 -10.495 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.568 12.174 -8.832 1.00 0.00 N ATOM 0 H GLN A 8 -7.248 12.808 -13.542 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.336 13.216 -10.942 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.651 12.509 -12.009 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.067 10.878 -11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.792 11.340 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.309 12.997 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.117 12.882 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.551 11.945 -8.685 1.00 0.00 H new ATOM 30 N VAL A 9 -5.298 10.406 -12.282 1.00 0.00 N ATOM 31 CA VAL A 9 -4.336 9.317 -12.130 1.00 0.00 C ATOM 32 C VAL A 9 -2.930 9.863 -11.889 1.00 0.00 C ATOM 33 O VAL A 9 -2.172 9.331 -11.072 1.00 0.00 O ATOM 34 CB VAL A 9 -4.337 8.401 -13.376 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.236 7.350 -13.299 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.693 7.733 -13.537 1.00 0.00 C ATOM 0 H VAL A 9 -5.747 10.443 -13.197 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.637 8.729 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.141 9.025 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.267 6.725 -14.191 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.266 7.843 -13.235 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.386 6.730 -12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.680 7.091 -14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.910 7.133 -12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.463 8.496 -13.655 1.00 0.00 H new ATOM 46 N VAL A 10 -2.602 10.947 -12.578 1.00 0.00 N ATOM 47 CA VAL A 10 -1.288 11.564 -12.467 1.00 0.00 C ATOM 48 C VAL A 10 -1.058 12.096 -11.055 1.00 0.00 C ATOM 49 O VAL A 10 0.022 11.931 -10.492 1.00 0.00 O ATOM 50 CB VAL A 10 -1.115 12.713 -13.484 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.272 13.336 -13.375 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.374 12.215 -14.898 1.00 0.00 C ATOM 0 H VAL A 10 -3.233 11.420 -13.224 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.550 10.792 -12.686 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.847 13.486 -13.251 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.367 14.142 -14.102 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.414 13.735 -12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.028 12.577 -13.574 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.248 13.037 -15.602 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.668 11.420 -15.139 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.392 11.831 -14.968 1.00 0.00 H new ATOM 62 N ILE A 11 -2.086 12.715 -10.482 1.00 0.00 N ATOM 63 CA ILE A 11 -1.991 13.264 -9.131 1.00 0.00 C ATOM 64 C ILE A 11 -1.789 12.148 -8.110 1.00 0.00 C ATOM 65 O ILE A 11 -0.848 12.186 -7.317 1.00 0.00 O ATOM 66 CB ILE A 11 -3.239 14.109 -8.745 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.201 15.496 -9.402 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.353 14.259 -7.231 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.411 15.486 -10.899 1.00 0.00 C ATOM 0 H ILE A 11 -2.993 12.849 -10.930 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.126 13.928 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.115 13.575 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.967 16.122 -8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.239 15.960 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.234 14.854 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.444 13.274 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.463 14.757 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.369 16.507 -11.279 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.631 14.890 -11.372 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.386 15.054 -11.127 1.00 0.00 H new ATOM 81 N PHE A 12 -2.658 11.142 -8.150 1.00 0.00 N ATOM 82 CA PHE A 12 -2.616 10.068 -7.165 1.00 0.00 C ATOM 83 C PHE A 12 -1.325 9.264 -7.250 1.00 0.00 C ATOM 84 O PHE A 12 -0.741 8.919 -6.220 1.00 0.00 O ATOM 85 CB PHE A 12 -3.833 9.153 -7.308 1.00 0.00 C ATOM 86 CG PHE A 12 -5.064 9.705 -6.648 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.332 9.429 -5.318 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.948 10.504 -7.353 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.459 9.938 -4.703 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.077 11.017 -6.743 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.332 10.732 -5.417 1.00 0.00 C ATOM 0 H PHE A 12 -3.395 11.049 -8.849 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.643 10.533 -6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.037 8.991 -8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.601 8.180 -6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.651 8.808 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.753 10.729 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.656 9.715 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.759 11.640 -7.303 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.215 11.130 -4.939 1.00 0.00 H new ATOM 101 N LYS A 13 -0.857 8.972 -8.458 1.00 0.00 N ATOM 102 CA LYS A 13 0.380 8.219 -8.596 1.00 0.00 C ATOM 103 C LYS A 13 1.568 9.079 -8.178 1.00 0.00 C ATOM 104 O LYS A 13 2.561 8.568 -7.671 1.00 0.00 O ATOM 105 CB LYS A 13 0.585 7.691 -10.018 1.00 0.00 C ATOM 106 CG LYS A 13 1.762 6.729 -10.114 1.00 0.00 C ATOM 107 CD LYS A 13 1.964 6.184 -11.517 1.00 0.00 C ATOM 108 CE LYS A 13 3.077 5.143 -11.538 1.00 0.00 C ATOM 109 NZ LYS A 13 3.345 4.633 -12.910 1.00 0.00 N ATOM 0 H LYS A 13 -1.304 9.238 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 13 0.306 7.353 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.322 7.186 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.748 8.530 -10.695 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.670 7.240 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.604 5.899 -9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.036 5.738 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.210 7.000 -12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.989 5.580 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.805 4.310 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.286 4.191 -12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.624 3.928 -13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.313 5.422 -13.586 1.00 0.00 H new ATOM 123 N GLN A 14 1.454 10.389 -8.379 1.00 0.00 N ATOM 124 CA GLN A 14 2.501 11.315 -7.968 1.00 0.00 C ATOM 125 C GLN A 14 2.622 11.316 -6.449 1.00 0.00 C ATOM 126 O GLN A 14 3.707 11.490 -5.900 1.00 0.00 O ATOM 127 CB GLN A 14 2.196 12.724 -8.480 1.00 0.00 C ATOM 128 CG GLN A 14 3.350 13.704 -8.335 1.00 0.00 C ATOM 129 CD GLN A 14 3.019 15.080 -8.889 1.00 0.00 C ATOM 130 OE1 GLN A 14 2.141 15.126 -9.881 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 3.545 16.093 -8.428 1.00 0.00 N flip ATOM 0 H GLN A 14 0.649 10.831 -8.823 1.00 0.00 H new ATOM 0 HA GLN A 14 3.449 10.992 -8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.916 12.663 -9.532 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.332 13.115 -7.942 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.615 13.794 -7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.225 13.309 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.216 16.016 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.309 17.009 -8.810 1.00 0.00 H new ATOM 140 N ILE A 15 1.496 11.108 -5.780 1.00 0.00 N ATOM 141 CA ILE A 15 1.474 10.976 -4.329 1.00 0.00 C ATOM 142 C ILE A 15 2.325 9.780 -3.895 1.00 0.00 C ATOM 143 O ILE A 15 3.181 9.895 -3.013 1.00 0.00 O ATOM 144 CB ILE A 15 0.031 10.801 -3.805 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.820 12.025 -4.154 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.023 10.566 -2.303 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.268 11.898 -3.726 1.00 0.00 C ATOM 0 H ILE A 15 0.580 11.027 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 15 1.887 11.891 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.400 9.926 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.386 12.906 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.781 12.189 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.004 10.446 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.590 9.664 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.477 11.419 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.811 12.801 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.719 11.037 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.318 11.765 -2.645 1.00 0.00 H new ATOM 159 N PHE A 16 2.100 8.640 -4.541 1.00 0.00 N ATOM 160 CA PHE A 16 2.863 7.431 -4.246 1.00 0.00 C ATOM 161 C PHE A 16 4.310 7.567 -4.719 1.00 0.00 C ATOM 162 O PHE A 16 5.223 7.002 -4.117 1.00 0.00 O ATOM 163 CB PHE A 16 2.208 6.204 -4.888 1.00 0.00 C ATOM 164 CG PHE A 16 0.932 5.775 -4.213 1.00 0.00 C ATOM 165 CD1 PHE A 16 0.962 4.907 -3.133 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.295 6.239 -4.661 1.00 0.00 C ATOM 167 CE1 PHE A 16 -0.208 4.513 -2.512 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.467 5.849 -4.044 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.425 4.983 -2.967 1.00 0.00 C ATOM 0 H PHE A 16 1.397 8.528 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 16 2.867 7.296 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.999 6.421 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.915 5.375 -4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.910 4.535 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.335 6.914 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.171 3.837 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.416 6.220 -4.402 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.340 4.675 -2.483 1.00 0.00 H new ATOM 179 N ASP A 17 4.510 8.321 -5.794 1.00 0.00 N ATOM 180 CA ASP A 17 5.848 8.575 -6.317 1.00 0.00 C ATOM 181 C ASP A 17 6.650 9.385 -5.303 1.00 0.00 C ATOM 182 O ASP A 17 7.794 9.054 -4.991 1.00 0.00 O ATOM 183 CB ASP A 17 5.774 9.331 -7.652 1.00 0.00 C ATOM 184 CG ASP A 17 7.074 9.275 -8.437 1.00 0.00 C ATOM 185 OD1 ASP A 17 8.127 9.681 -7.905 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.054 8.804 -9.593 1.00 0.00 O ATOM 0 H ASP A 17 3.761 8.768 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 17 6.343 7.619 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.971 8.910 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.516 10.373 -7.460 1.00 0.00 H new ATOM 191 N LYS A 18 6.026 10.431 -4.770 1.00 0.00 N ATOM 192 CA LYS A 18 6.662 11.287 -3.776 1.00 0.00 C ATOM 193 C LYS A 18 7.040 10.509 -2.523 1.00 0.00 C ATOM 194 O LYS A 18 8.147 10.653 -2.012 1.00 0.00 O ATOM 195 CB LYS A 18 5.745 12.457 -3.402 1.00 0.00 C ATOM 196 CG LYS A 18 5.671 13.566 -4.446 1.00 0.00 C ATOM 197 CD LYS A 18 6.956 14.385 -4.502 1.00 0.00 C ATOM 198 CE LYS A 18 8.038 13.703 -5.325 1.00 0.00 C ATOM 199 NZ LYS A 18 9.340 14.407 -5.218 1.00 0.00 N ATOM 0 H LYS A 18 5.074 10.707 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 18 7.576 11.676 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.740 12.072 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.090 12.885 -2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.477 13.129 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.832 14.223 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.742 15.365 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.323 14.551 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.154 12.672 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.730 13.666 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.892 14.250 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.174 15.426 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.867 14.039 -4.400 1.00 0.00 H new ATOM 213 N VAL A 19 6.136 9.669 -2.034 1.00 0.00 N ATOM 214 CA VAL A 19 6.384 8.962 -0.786 1.00 0.00 C ATOM 215 C VAL A 19 7.481 7.905 -0.942 1.00 0.00 C ATOM 216 O VAL A 19 8.240 7.662 -0.010 1.00 0.00 O ATOM 217 CB VAL A 19 5.101 8.319 -0.203 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.581 7.194 -1.087 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.360 7.821 1.210 1.00 0.00 C ATOM 0 H VAL A 19 5.239 9.463 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 19 6.727 9.716 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 19 4.327 9.086 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.681 6.769 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.347 7.587 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.342 6.419 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.451 7.371 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.156 7.077 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.659 8.658 1.842 1.00 0.00 H new ATOM 229 N ARG A 20 7.585 7.294 -2.121 1.00 0.00 N ATOM 230 CA ARG A 20 8.608 6.271 -2.345 1.00 0.00 C ATOM 231 C ARG A 20 9.961 6.913 -2.645 1.00 0.00 C ATOM 232 O ARG A 20 11.004 6.275 -2.513 1.00 0.00 O ATOM 233 CB ARG A 20 8.191 5.308 -3.477 1.00 0.00 C ATOM 234 CG ARG A 20 8.034 5.958 -4.848 1.00 0.00 C ATOM 235 CD ARG A 20 9.358 6.058 -5.596 1.00 0.00 C ATOM 236 NE ARG A 20 9.265 6.937 -6.764 1.00 0.00 N ATOM 237 CZ ARG A 20 9.933 6.746 -7.903 1.00 0.00 C ATOM 238 NH1 ARG A 20 10.715 5.682 -8.052 1.00 0.00 N ATOM 239 NH2 ARG A 20 9.807 7.622 -8.894 1.00 0.00 N ATOM 0 H ARG A 20 6.985 7.484 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 20 8.706 5.687 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.934 4.514 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.247 4.837 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.326 5.380 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.611 6.955 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.128 6.432 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.670 5.063 -5.915 1.00 0.00 H new ATOM 0 HE ARG A 20 8.649 7.748 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.807 5.006 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.223 5.541 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.202 8.435 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.315 7.481 -9.767 1.00 0.00 H new ATOM 253 N ASN A 21 9.930 8.175 -3.050 1.00 0.00 N ATOM 254 CA ASN A 21 11.145 8.900 -3.408 1.00 0.00 C ATOM 255 C ASN A 21 11.675 9.687 -2.222 1.00 0.00 C ATOM 256 O ASN A 21 12.849 9.587 -1.861 1.00 0.00 O ATOM 257 CB ASN A 21 10.860 9.861 -4.567 1.00 0.00 C ATOM 258 CG ASN A 21 12.072 10.687 -4.960 1.00 0.00 C ATOM 259 OD1 ASN A 21 12.911 10.248 -5.744 1.00 0.00 O ATOM 260 ND2 ASN A 21 12.155 11.903 -4.440 1.00 0.00 N ATOM 0 H ASN A 21 9.073 8.722 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 21 11.897 8.172 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.520 9.290 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.046 10.530 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.936 12.511 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.438 12.231 -3.793 1.00 0.00 H new ATOM 267 N ASP A 22 10.792 10.459 -1.616 1.00 0.00 N ATOM 268 CA ASP A 22 11.172 11.400 -0.581 1.00 0.00 C ATOM 269 C ASP A 22 11.085 10.768 0.804 1.00 0.00 C ATOM 270 O ASP A 22 11.825 11.138 1.717 1.00 0.00 O ATOM 271 CB ASP A 22 10.277 12.635 -0.653 1.00 0.00 C ATOM 272 CG ASP A 22 10.571 13.511 -1.854 1.00 0.00 C ATOM 273 OD1 ASP A 22 10.186 13.140 -2.982 1.00 0.00 O ATOM 274 OD2 ASP A 22 11.180 14.582 -1.670 1.00 0.00 O ATOM 0 H ASP A 22 9.794 10.451 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 22 12.209 11.692 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.234 12.320 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.403 13.222 0.257 1.00 0.00 H new ATOM 279 N LEU A 23 10.157 9.826 0.947 1.00 0.00 N ATOM 280 CA LEU A 23 9.968 9.063 2.184 1.00 0.00 C ATOM 281 C LEU A 23 9.471 9.919 3.352 1.00 0.00 C ATOM 282 O LEU A 23 9.437 9.450 4.489 1.00 0.00 O ATOM 283 CB LEU A 23 11.251 8.318 2.582 1.00 0.00 C ATOM 284 CG LEU A 23 11.669 7.182 1.641 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.880 6.444 2.191 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.523 6.209 1.430 1.00 0.00 C ATOM 0 H LEU A 23 9.508 9.566 0.204 1.00 0.00 H new ATOM 0 HA LEU A 23 9.186 8.336 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.067 9.039 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.117 7.908 3.583 1.00 0.00 H new ATOM 0 HG LEU A 23 11.935 7.624 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.159 5.642 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.713 7.139 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.637 6.021 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.842 5.411 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.228 5.781 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.675 6.735 0.991 1.00 0.00 H new ATOM 298 N ASN A 24 9.071 11.159 3.094 1.00 0.00 N ATOM 299 CA ASN A 24 8.432 11.958 4.137 1.00 0.00 C ATOM 300 C ASN A 24 6.972 11.553 4.278 1.00 0.00 C ATOM 301 O ASN A 24 6.080 12.161 3.688 1.00 0.00 O ATOM 302 CB ASN A 24 8.564 13.476 3.911 1.00 0.00 C ATOM 303 CG ASN A 24 8.662 13.894 2.454 1.00 0.00 C ATOM 304 OD1 ASN A 24 9.762 13.995 1.912 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.533 14.164 1.816 1.00 0.00 N ATOM 0 H ASN A 24 9.174 11.626 2.193 1.00 0.00 H new ATOM 0 HA ASN A 24 8.961 11.749 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.704 13.973 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.449 13.832 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.557 14.467 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.639 14.069 2.298 1.00 0.00 H new ATOM 312 N TYR A 25 6.746 10.507 5.066 1.00 0.00 N ATOM 313 CA TYR A 25 5.423 9.916 5.239 1.00 0.00 C ATOM 314 C TYR A 25 4.423 10.911 5.814 1.00 0.00 C ATOM 315 O TYR A 25 3.220 10.779 5.594 1.00 0.00 O ATOM 316 CB TYR A 25 5.509 8.689 6.146 1.00 0.00 C ATOM 317 CG TYR A 25 6.351 7.568 5.576 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.827 6.701 4.625 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.666 7.376 5.985 1.00 0.00 C ATOM 320 CE1 TYR A 25 6.588 5.677 4.097 1.00 0.00 C ATOM 321 CE2 TYR A 25 8.434 6.353 5.459 1.00 0.00 C ATOM 322 CZ TYR A 25 7.892 5.508 4.516 1.00 0.00 C ATOM 323 OH TYR A 25 8.651 4.489 3.989 1.00 0.00 O ATOM 0 H TYR A 25 7.478 10.043 5.605 1.00 0.00 H new ATOM 0 HA TYR A 25 5.068 9.620 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.923 8.988 7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.502 8.316 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.807 6.830 4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.094 8.036 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.165 5.011 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.454 6.217 5.786 1.00 0.00 H new ATOM 0 HH TYR A 25 9.599 4.660 4.169 1.00 0.00 H new ATOM 333 N GLN A 26 4.929 11.911 6.535 1.00 0.00 N ATOM 334 CA GLN A 26 4.086 12.948 7.129 1.00 0.00 C ATOM 335 C GLN A 26 3.242 13.636 6.053 1.00 0.00 C ATOM 336 O GLN A 26 2.121 14.073 6.306 1.00 0.00 O ATOM 337 CB GLN A 26 4.957 13.984 7.847 1.00 0.00 C ATOM 338 CG GLN A 26 5.925 13.391 8.868 1.00 0.00 C ATOM 339 CD GLN A 26 5.284 13.049 10.210 1.00 0.00 C ATOM 340 OE1 GLN A 26 4.004 12.705 10.209 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 5.947 13.095 11.247 1.00 0.00 N flip ATOM 0 H GLN A 26 5.925 12.025 6.723 1.00 0.00 H new ATOM 0 HA GLN A 26 3.417 12.479 7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.527 14.540 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.308 14.700 8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.369 12.488 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.738 14.098 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.930 13.364 11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.513 12.864 12.141 1.00 0.00 H new ATOM 350 N TRP A 27 3.793 13.712 4.848 1.00 0.00 N ATOM 351 CA TRP A 27 3.109 14.334 3.727 1.00 0.00 C ATOM 352 C TRP A 27 2.032 13.393 3.181 1.00 0.00 C ATOM 353 O TRP A 27 0.924 13.814 2.849 1.00 0.00 O ATOM 354 CB TRP A 27 4.129 14.682 2.620 1.00 0.00 C ATOM 355 CG TRP A 27 4.004 13.827 1.388 1.00 0.00 C ATOM 356 CD1 TRP A 27 4.576 12.611 1.153 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.233 14.128 0.231 1.00 0.00 C ATOM 358 NE1 TRP A 27 4.172 12.134 -0.069 1.00 0.00 N ATOM 359 CE2 TRP A 27 3.364 13.052 -0.659 1.00 0.00 C ATOM 360 CE3 TRP A 27 2.441 15.201 -0.132 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.728 13.020 -1.892 1.00 0.00 C ATOM 362 CZ3 TRP A 27 1.812 15.172 -1.353 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.955 14.088 -2.223 1.00 0.00 C ATOM 0 H TRP A 27 4.719 13.347 4.624 1.00 0.00 H new ATOM 0 HA TRP A 27 2.629 15.252 4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.004 15.728 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.137 14.578 3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.247 12.100 1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.436 11.234 -0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.319 16.045 0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.843 12.180 -2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.193 16.006 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.443 14.099 -3.174 1.00 0.00 H new ATOM 374 N PHE A 28 2.364 12.112 3.138 1.00 0.00 N ATOM 375 CA PHE A 28 1.575 11.134 2.407 1.00 0.00 C ATOM 376 C PHE A 28 0.327 10.744 3.186 1.00 0.00 C ATOM 377 O PHE A 28 -0.739 10.546 2.605 1.00 0.00 O ATOM 378 CB PHE A 28 2.449 9.905 2.128 1.00 0.00 C ATOM 379 CG PHE A 28 1.728 8.733 1.523 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.327 8.755 0.201 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.475 7.597 2.278 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.687 7.666 -0.362 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.832 6.510 1.723 1.00 0.00 C ATOM 384 CZ PHE A 28 0.438 6.543 0.401 1.00 0.00 C ATOM 0 H PHE A 28 3.183 11.723 3.606 1.00 0.00 H new ATOM 0 HA PHE A 28 1.244 11.570 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.258 10.198 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.908 9.585 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.516 9.633 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.785 7.563 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.382 7.694 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.637 5.633 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.064 5.692 -0.036 1.00 0.00 H new ATOM 394 N TYR A 29 0.456 10.640 4.504 1.00 0.00 N ATOM 395 CA TYR A 29 -0.690 10.323 5.345 1.00 0.00 C ATOM 396 C TYR A 29 -1.650 11.503 5.386 1.00 0.00 C ATOM 397 O TYR A 29 -2.844 11.341 5.638 1.00 0.00 O ATOM 398 CB TYR A 29 -0.247 9.919 6.754 1.00 0.00 C ATOM 399 CG TYR A 29 0.438 8.573 6.785 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.275 7.411 6.523 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.793 8.463 7.055 1.00 0.00 C ATOM 402 CE1 TYR A 29 0.344 6.178 6.530 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.422 7.233 7.061 1.00 0.00 C ATOM 404 CZ TYR A 29 1.692 6.093 6.799 1.00 0.00 C ATOM 405 OH TYR A 29 2.314 4.863 6.800 1.00 0.00 O ATOM 0 H TYR A 29 1.333 10.769 5.008 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.211 9.469 4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.430 10.676 7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.116 9.895 7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.332 7.473 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.367 9.354 7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.226 5.284 6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.479 7.165 7.270 1.00 0.00 H new ATOM 0 HH TYR A 29 3.265 4.978 7.007 1.00 0.00 H new ATOM 415 N SER A 30 -1.125 12.687 5.107 1.00 0.00 N ATOM 416 CA SER A 30 -1.952 13.871 4.973 1.00 0.00 C ATOM 417 C SER A 30 -2.734 13.803 3.660 1.00 0.00 C ATOM 418 O SER A 30 -3.899 14.191 3.601 1.00 0.00 O ATOM 419 CB SER A 30 -1.082 15.129 5.037 1.00 0.00 C ATOM 420 OG SER A 30 -0.354 15.176 6.257 1.00 0.00 O ATOM 0 H SER A 30 -0.128 12.851 4.969 1.00 0.00 H new ATOM 0 HA SER A 30 -2.665 13.915 5.796 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.390 15.142 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.709 16.016 4.948 1.00 0.00 H new ATOM 0 HG SER A 30 0.451 14.622 6.179 1.00 0.00 H new ATOM 426 N GLU A 31 -2.090 13.285 2.615 1.00 0.00 N ATOM 427 CA GLU A 31 -2.762 13.040 1.340 1.00 0.00 C ATOM 428 C GLU A 31 -3.893 12.041 1.516 1.00 0.00 C ATOM 429 O GLU A 31 -4.997 12.242 1.015 1.00 0.00 O ATOM 430 CB GLU A 31 -1.786 12.478 0.297 1.00 0.00 C ATOM 431 CG GLU A 31 -0.822 13.495 -0.286 1.00 0.00 C ATOM 432 CD GLU A 31 -1.546 14.733 -0.789 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.614 14.584 -1.428 1.00 0.00 O ATOM 434 OE2 GLU A 31 -1.072 15.858 -0.525 1.00 0.00 O ATOM 0 H GLU A 31 -1.103 13.027 2.626 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.154 13.997 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.210 11.674 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.361 12.035 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.094 13.782 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.266 13.041 -1.106 1.00 0.00 H new ATOM 441 N LEU A 32 -3.603 10.965 2.228 1.00 0.00 N ATOM 442 CA LEU A 32 -4.559 9.885 2.423 1.00 0.00 C ATOM 443 C LEU A 32 -5.832 10.373 3.107 1.00 0.00 C ATOM 444 O LEU A 32 -6.928 10.103 2.637 1.00 0.00 O ATOM 445 CB LEU A 32 -3.916 8.761 3.233 1.00 0.00 C ATOM 446 CG LEU A 32 -2.683 8.131 2.585 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.100 7.055 3.480 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.030 7.560 1.219 1.00 0.00 C ATOM 0 H LEU A 32 -2.704 10.815 2.685 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.842 9.506 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.636 9.151 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.659 7.982 3.401 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.931 8.909 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.223 6.619 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.811 7.493 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.846 6.278 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.140 7.116 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.800 6.797 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.399 8.358 0.574 1.00 0.00 H new ATOM 460 N LYS A 33 -5.691 11.107 4.196 1.00 0.00 N ATOM 461 CA LYS A 33 -6.856 11.589 4.932 1.00 0.00 C ATOM 462 C LYS A 33 -7.581 12.696 4.165 1.00 0.00 C ATOM 463 O LYS A 33 -8.766 12.940 4.383 1.00 0.00 O ATOM 464 CB LYS A 33 -6.447 12.092 6.317 1.00 0.00 C ATOM 465 CG LYS A 33 -5.832 11.019 7.205 1.00 0.00 C ATOM 466 CD LYS A 33 -5.426 11.581 8.558 1.00 0.00 C ATOM 467 CE LYS A 33 -6.628 12.070 9.350 1.00 0.00 C ATOM 468 NZ LYS A 33 -7.482 10.949 9.830 1.00 0.00 N ATOM 0 H LYS A 33 -4.792 11.383 4.591 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.543 10.750 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.733 12.907 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.323 12.505 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.547 10.208 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.959 10.592 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.903 10.813 9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.726 12.404 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.285 12.654 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.224 12.737 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.408 10.992 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.022 10.043 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.613 11.028 10.859 1.00 0.00 H new ATOM 482 N ARG A 34 -6.866 13.345 3.260 1.00 0.00 N ATOM 483 CA ARG A 34 -7.411 14.476 2.518 1.00 0.00 C ATOM 484 C ARG A 34 -8.023 14.050 1.181 1.00 0.00 C ATOM 485 O ARG A 34 -8.945 14.692 0.683 1.00 0.00 O ATOM 486 CB ARG A 34 -6.309 15.530 2.326 1.00 0.00 C ATOM 487 CG ARG A 34 -6.524 16.482 1.162 1.00 0.00 C ATOM 488 CD ARG A 34 -5.796 17.805 1.371 1.00 0.00 C ATOM 489 NE ARG A 34 -4.423 17.619 1.844 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.414 17.231 1.066 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.602 17.045 -0.231 1.00 0.00 N ATOM 492 NH2 ARG A 34 -2.203 17.065 1.579 1.00 0.00 N ATOM 0 H ARG A 34 -5.903 13.109 3.019 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.227 14.910 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.223 16.114 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.358 15.017 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.173 16.016 0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.591 16.670 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.782 18.361 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.347 18.410 2.092 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.227 17.797 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.524 17.199 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.825 16.748 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.042 17.234 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.432 16.768 0.981 1.00 0.00 H new ATOM 506 N HIS A 35 -7.529 12.962 0.606 1.00 0.00 N ATOM 507 CA HIS A 35 -8.017 12.506 -0.693 1.00 0.00 C ATOM 508 C HIS A 35 -8.689 11.142 -0.593 1.00 0.00 C ATOM 509 O HIS A 35 -9.795 10.949 -1.098 1.00 0.00 O ATOM 510 CB HIS A 35 -6.878 12.467 -1.722 1.00 0.00 C ATOM 511 CG HIS A 35 -6.540 13.812 -2.291 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.272 14.364 -2.253 1.00 0.00 N ATOM 513 CD2 HIS A 35 -7.317 14.712 -2.941 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.289 15.539 -2.853 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.516 15.774 -3.277 1.00 0.00 N ATOM 0 H HIS A 35 -6.796 12.381 1.013 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.766 13.223 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.989 12.046 -1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.156 11.797 -2.535 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.452 13.931 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.371 14.612 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.442 16.197 -2.976 1.00 0.00 H new ATOM 524 N ASN A 36 -8.027 10.200 0.062 1.00 0.00 N ATOM 525 CA ASN A 36 -8.580 8.862 0.231 1.00 0.00 C ATOM 526 C ASN A 36 -9.554 8.848 1.403 1.00 0.00 C ATOM 527 O ASN A 36 -9.203 8.481 2.522 1.00 0.00 O ATOM 528 CB ASN A 36 -7.466 7.836 0.459 1.00 0.00 C ATOM 529 CG ASN A 36 -7.997 6.424 0.604 1.00 0.00 C ATOM 530 OD1 ASN A 36 -8.975 6.045 -0.035 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.362 5.638 1.461 1.00 0.00 N ATOM 0 H ASN A 36 -7.109 10.335 0.485 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.112 8.590 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.766 7.873 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.907 8.104 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.682 4.681 1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.553 5.990 1.973 1.00 0.00 H new ATOM 538 N VAL A 37 -10.762 9.309 1.150 1.00 0.00 N ATOM 539 CA VAL A 37 -11.781 9.371 2.184 1.00 0.00 C ATOM 540 C VAL A 37 -12.290 7.976 2.545 1.00 0.00 C ATOM 541 O VAL A 37 -12.617 7.706 3.700 1.00 0.00 O ATOM 542 CB VAL A 37 -12.965 10.261 1.749 1.00 0.00 C ATOM 543 CG1 VAL A 37 -14.004 10.378 2.858 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.471 11.636 1.335 1.00 0.00 C ATOM 0 H VAL A 37 -11.065 9.647 0.237 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.317 9.812 3.066 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.443 9.789 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.825 11.011 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.386 9.387 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.544 10.820 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.318 12.251 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.963 12.108 2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.777 11.537 0.500 1.00 0.00 H new ATOM 554 N SER A 38 -12.333 7.084 1.565 1.00 0.00 N ATOM 555 CA SER A 38 -12.868 5.752 1.786 1.00 0.00 C ATOM 556 C SER A 38 -11.740 4.754 2.062 1.00 0.00 C ATOM 557 O SER A 38 -11.398 4.498 3.221 1.00 0.00 O ATOM 558 CB SER A 38 -13.712 5.312 0.586 1.00 0.00 C ATOM 559 OG SER A 38 -14.444 4.131 0.864 1.00 0.00 O ATOM 0 H SER A 38 -12.005 7.259 0.615 1.00 0.00 H new ATOM 0 HA SER A 38 -13.512 5.777 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.401 6.111 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.063 5.144 -0.273 1.00 0.00 H new ATOM 0 HG SER A 38 -13.825 3.378 0.966 1.00 0.00 H new ATOM 565 N HIS A 39 -11.145 4.211 0.998 1.00 0.00 N ATOM 566 CA HIS A 39 -10.081 3.217 1.127 1.00 0.00 C ATOM 567 C HIS A 39 -9.500 2.872 -0.240 1.00 0.00 C ATOM 568 O HIS A 39 -10.227 2.795 -1.230 1.00 0.00 O ATOM 569 CB HIS A 39 -10.595 1.939 1.818 1.00 0.00 C ATOM 570 CG HIS A 39 -11.689 1.217 1.081 1.00 0.00 C ATOM 571 ND1 HIS A 39 -13.022 1.523 1.224 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.639 0.185 0.205 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.742 0.716 0.473 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.929 -0.109 -0.158 1.00 0.00 N ATOM 0 H HIS A 39 -11.384 4.445 0.034 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.296 3.650 1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.757 1.256 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.958 2.202 2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.747 -0.315 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.819 0.728 0.388 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.212 -0.843 -0.807 1.00 0.00 H new ATOM 583 N TYR A 40 -8.193 2.663 -0.300 1.00 0.00 N ATOM 584 CA TYR A 40 -7.558 2.288 -1.550 1.00 0.00 C ATOM 585 C TYR A 40 -7.018 0.871 -1.458 1.00 0.00 C ATOM 586 O TYR A 40 -6.555 0.440 -0.397 1.00 0.00 O ATOM 587 CB TYR A 40 -6.443 3.274 -1.940 1.00 0.00 C ATOM 588 CG TYR A 40 -5.188 3.232 -1.082 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.154 2.343 -1.365 1.00 0.00 C ATOM 590 CD2 TYR A 40 -5.024 4.101 -0.011 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.998 2.321 -0.603 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.873 4.084 0.756 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.863 3.193 0.458 1.00 0.00 C ATOM 594 OH TYR A 40 -1.711 3.179 1.218 1.00 0.00 O ATOM 0 H TYR A 40 -7.559 2.746 0.495 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.313 2.327 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.159 3.080 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.850 4.285 -1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.256 1.658 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.810 4.803 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.206 1.625 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.765 4.767 1.586 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.217 2.350 1.047 1.00 0.00 H new ATOM 604 N ILE A 41 -7.105 0.147 -2.561 1.00 0.00 N ATOM 605 CA ILE A 41 -6.603 -1.215 -2.623 1.00 0.00 C ATOM 606 C ILE A 41 -5.397 -1.275 -3.549 1.00 0.00 C ATOM 607 O ILE A 41 -5.513 -1.038 -4.753 1.00 0.00 O ATOM 608 CB ILE A 41 -7.669 -2.226 -3.121 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.950 -2.152 -2.280 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.106 -3.639 -3.085 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.902 -1.047 -2.694 1.00 0.00 C ATOM 0 H ILE A 41 -7.521 0.482 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.328 -1.497 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.924 -1.963 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.470 -3.108 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.677 -2.008 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.862 -4.341 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.229 -3.698 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.823 -3.892 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.781 -1.064 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.403 -0.083 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.208 -1.199 -3.729 1.00 0.00 H new ATOM 623 N TYR A 42 -4.245 -1.575 -2.980 1.00 0.00 N ATOM 624 CA TYR A 42 -3.014 -1.664 -3.739 1.00 0.00 C ATOM 625 C TYR A 42 -2.793 -3.108 -4.181 1.00 0.00 C ATOM 626 O TYR A 42 -2.948 -4.040 -3.388 1.00 0.00 O ATOM 627 CB TYR A 42 -1.841 -1.181 -2.881 1.00 0.00 C ATOM 628 CG TYR A 42 -0.670 -0.640 -3.670 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.031 -1.441 -4.559 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.272 0.681 -3.524 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.092 -0.942 -5.284 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.791 1.189 -4.243 1.00 0.00 C ATOM 633 CZ TYR A 42 1.467 0.373 -5.125 1.00 0.00 C ATOM 634 OH TYR A 42 2.514 0.879 -5.855 1.00 0.00 O ATOM 0 H TYR A 42 -4.137 -1.763 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.082 -1.030 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.197 -0.404 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.495 -2.009 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.259 -2.474 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.803 1.323 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.626 -1.579 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.091 2.219 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 42 2.348 0.732 -6.810 1.00 0.00 H new ATOM 644 N TYR A 43 -2.451 -3.286 -5.444 1.00 0.00 N ATOM 645 CA TYR A 43 -2.189 -4.605 -5.991 1.00 0.00 C ATOM 646 C TYR A 43 -0.702 -4.760 -6.266 1.00 0.00 C ATOM 647 O TYR A 43 -0.187 -4.288 -7.279 1.00 0.00 O ATOM 648 CB TYR A 43 -3.010 -4.834 -7.262 1.00 0.00 C ATOM 649 CG TYR A 43 -4.502 -4.811 -7.015 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.175 -5.961 -6.624 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.233 -3.640 -7.158 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.536 -5.943 -6.386 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.594 -3.613 -6.917 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.241 -4.767 -6.532 1.00 0.00 C ATOM 655 OH TYR A 43 -8.598 -4.745 -6.284 1.00 0.00 O ATOM 0 H TYR A 43 -2.347 -2.526 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.489 -5.359 -5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.757 -4.067 -7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.734 -5.794 -7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.626 -6.883 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.730 -2.734 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.046 -6.847 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.147 -2.692 -7.030 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.943 -3.840 -6.432 1.00 0.00 H new ATOM 665 N LEU A 44 -0.019 -5.428 -5.347 1.00 0.00 N ATOM 666 CA LEU A 44 1.440 -5.532 -5.375 1.00 0.00 C ATOM 667 C LEU A 44 1.935 -6.410 -6.525 1.00 0.00 C ATOM 668 O LEU A 44 3.137 -6.480 -6.793 1.00 0.00 O ATOM 669 CB LEU A 44 1.931 -6.102 -4.045 1.00 0.00 C ATOM 670 CG LEU A 44 1.513 -5.311 -2.805 1.00 0.00 C ATOM 671 CD1 LEU A 44 1.890 -6.063 -1.543 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.157 -3.938 -2.806 1.00 0.00 C ATOM 0 H LEU A 44 -0.455 -5.913 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 44 1.842 -4.531 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.562 -7.123 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.019 -6.158 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 44 0.430 -5.188 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.585 -5.485 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.387 -7.030 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.969 -6.215 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.847 -3.390 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.242 -4.045 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.845 -3.391 -3.696 1.00 0.00 H new ATOM 684 N ALA A 45 1.010 -7.074 -7.204 1.00 0.00 N ATOM 685 CA ALA A 45 1.364 -7.965 -8.301 1.00 0.00 C ATOM 686 C ALA A 45 1.575 -7.203 -9.601 1.00 0.00 C ATOM 687 O ALA A 45 1.964 -7.793 -10.605 1.00 0.00 O ATOM 688 CB ALA A 45 0.297 -9.027 -8.494 1.00 0.00 C ATOM 0 H ALA A 45 0.010 -7.013 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 45 2.305 -8.446 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.580 -9.682 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.199 -9.614 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.655 -8.549 -8.722 1.00 0.00 H new ATOM 694 N THR A 46 1.279 -5.908 -9.584 1.00 0.00 N ATOM 695 CA THR A 46 1.494 -5.052 -10.749 1.00 0.00 C ATOM 696 C THR A 46 1.980 -3.660 -10.341 1.00 0.00 C ATOM 697 O THR A 46 2.291 -2.829 -11.199 1.00 0.00 O ATOM 698 CB THR A 46 0.201 -4.911 -11.577 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.928 -4.800 -10.698 1.00 0.00 O ATOM 700 CG2 THR A 46 0.008 -6.096 -12.513 1.00 0.00 C ATOM 0 H THR A 46 0.888 -5.425 -8.775 1.00 0.00 H new ATOM 0 HA THR A 46 2.263 -5.531 -11.355 1.00 0.00 H new ATOM 0 HB THR A 46 0.286 -4.010 -12.185 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.747 -4.709 -11.228 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.913 -5.964 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.852 -6.159 -13.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.054 -7.014 -11.929 1.00 0.00 H new ATOM 708 N GLU A 47 2.063 -3.426 -9.024 1.00 0.00 N ATOM 709 CA GLU A 47 2.343 -2.098 -8.471 1.00 0.00 C ATOM 710 C GLU A 47 1.181 -1.145 -8.768 1.00 0.00 C ATOM 711 O GLU A 47 1.314 0.075 -8.652 1.00 0.00 O ATOM 712 CB GLU A 47 3.664 -1.521 -9.012 1.00 0.00 C ATOM 713 CG GLU A 47 4.909 -2.230 -8.500 1.00 0.00 C ATOM 714 CD GLU A 47 5.273 -1.848 -7.076 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.996 -0.841 -6.897 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.861 -2.556 -6.135 1.00 0.00 O ATOM 0 H GLU A 47 1.938 -4.150 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 47 2.450 -2.204 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.652 -1.573 -10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.724 -0.466 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.752 -3.307 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.747 -1.998 -9.157 1.00 0.00 H new ATOM 723 N ASN A 48 0.036 -1.719 -9.125 1.00 0.00 N ATOM 724 CA ASN A 48 -1.157 -0.947 -9.464 1.00 0.00 C ATOM 725 C ASN A 48 -1.981 -0.646 -8.220 1.00 0.00 C ATOM 726 O ASN A 48 -1.913 -1.376 -7.234 1.00 0.00 O ATOM 727 CB ASN A 48 -2.018 -1.706 -10.478 1.00 0.00 C ATOM 728 CG ASN A 48 -1.493 -1.604 -11.898 1.00 0.00 C ATOM 729 OD1 ASN A 48 -0.299 -1.423 -12.128 1.00 0.00 O ATOM 730 ND2 ASN A 48 -2.393 -1.719 -12.866 1.00 0.00 N ATOM 0 H ASN A 48 -0.092 -2.729 -9.188 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.830 -0.005 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.068 -2.756 -10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.036 -1.318 -10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.103 -1.658 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.375 -1.869 -12.634 1.00 0.00 H new ATOM 737 N VAL A 49 -2.765 0.422 -8.271 1.00 0.00 N ATOM 738 CA VAL A 49 -3.568 0.833 -7.126 1.00 0.00 C ATOM 739 C VAL A 49 -4.994 1.152 -7.558 1.00 0.00 C ATOM 740 O VAL A 49 -5.213 1.691 -8.637 1.00 0.00 O ATOM 741 CB VAL A 49 -2.991 2.090 -6.435 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.449 2.159 -4.987 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.473 2.132 -6.528 1.00 0.00 C ATOM 0 H VAL A 49 -2.863 1.020 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.555 -0.001 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.373 2.965 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.034 3.050 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.537 2.204 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.105 1.273 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.103 3.029 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.054 1.250 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.173 2.147 -7.576 1.00 0.00 H new ATOM 753 N HIS A 50 -5.960 0.798 -6.727 1.00 0.00 N ATOM 754 CA HIS A 50 -7.348 1.196 -6.946 1.00 0.00 C ATOM 755 C HIS A 50 -7.836 2.018 -5.760 1.00 0.00 C ATOM 756 O HIS A 50 -8.177 1.471 -4.713 1.00 0.00 O ATOM 757 CB HIS A 50 -8.253 -0.027 -7.153 1.00 0.00 C ATOM 758 CG HIS A 50 -8.180 -0.623 -8.528 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.299 -0.976 -9.253 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.118 -0.949 -9.305 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.930 -1.487 -10.413 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.612 -1.481 -10.468 1.00 0.00 N ATOM 0 H HIS A 50 -5.812 0.234 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.394 1.800 -7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.984 -0.791 -6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.284 0.260 -6.948 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.076 -0.815 -9.054 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.594 -1.848 -11.185 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.051 -1.818 -11.250 1.00 0.00 H new ATOM 771 N ILE A 51 -7.840 3.332 -5.925 1.00 0.00 N ATOM 772 CA ILE A 51 -8.216 4.241 -4.848 1.00 0.00 C ATOM 773 C ILE A 51 -9.696 4.576 -4.934 1.00 0.00 C ATOM 774 O ILE A 51 -10.128 5.267 -5.859 1.00 0.00 O ATOM 775 CB ILE A 51 -7.414 5.572 -4.885 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.906 5.321 -4.824 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.837 6.480 -3.738 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.287 5.003 -6.166 1.00 0.00 C ATOM 0 H ILE A 51 -7.586 3.796 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.988 3.725 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.636 6.064 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.417 6.202 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.712 4.495 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.266 7.408 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.900 6.704 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.648 5.979 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.217 4.837 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.748 4.105 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.449 5.837 -6.848 1.00 0.00 H new ATOM 790 N VAL A 52 -10.472 4.082 -3.985 1.00 0.00 N ATOM 791 CA VAL A 52 -11.885 4.409 -3.935 1.00 0.00 C ATOM 792 C VAL A 52 -12.087 5.650 -3.083 1.00 0.00 C ATOM 793 O VAL A 52 -11.859 5.631 -1.873 1.00 0.00 O ATOM 794 CB VAL A 52 -12.744 3.257 -3.372 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.225 3.565 -3.548 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.389 1.935 -4.033 1.00 0.00 C ATOM 0 H VAL A 52 -10.151 3.458 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.212 4.587 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.532 3.165 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.818 2.743 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.471 4.484 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.448 3.688 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.010 1.142 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.563 2.007 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.339 1.707 -3.850 1.00 0.00 H new ATOM 806 N LEU A 53 -12.490 6.731 -3.732 1.00 0.00 N ATOM 807 CA LEU A 53 -12.729 7.994 -3.050 1.00 0.00 C ATOM 808 C LEU A 53 -13.987 7.908 -2.192 1.00 0.00 C ATOM 809 O LEU A 53 -14.620 6.856 -2.124 1.00 0.00 O ATOM 810 CB LEU A 53 -12.864 9.126 -4.072 1.00 0.00 C ATOM 811 CG LEU A 53 -11.671 9.287 -5.019 1.00 0.00 C ATOM 812 CD1 LEU A 53 -11.926 10.405 -6.018 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.400 9.560 -4.233 1.00 0.00 C ATOM 0 H LEU A 53 -12.660 6.759 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.880 8.204 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.761 8.953 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.013 10.063 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.545 8.355 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.067 10.503 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.814 10.172 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.081 11.342 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.563 9.672 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.519 10.477 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.205 8.728 -3.557 1.00 0.00 H new ATOM 825 N LYS A 54 -14.341 9.025 -1.556 1.00 0.00 N ATOM 826 CA LYS A 54 -15.515 9.107 -0.678 1.00 0.00 C ATOM 827 C LYS A 54 -16.721 8.360 -1.261 1.00 0.00 C ATOM 828 O LYS A 54 -17.260 7.449 -0.633 1.00 0.00 O ATOM 829 CB LYS A 54 -15.861 10.580 -0.412 1.00 0.00 C ATOM 830 CG LYS A 54 -15.684 11.492 -1.623 1.00 0.00 C ATOM 831 CD LYS A 54 -15.794 12.962 -1.240 1.00 0.00 C ATOM 832 CE LYS A 54 -15.436 13.881 -2.402 1.00 0.00 C ATOM 833 NZ LYS A 54 -16.450 13.849 -3.490 1.00 0.00 N ATOM 0 H LYS A 54 -13.823 9.901 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.267 8.620 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.895 10.643 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.235 10.948 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.712 11.306 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.439 11.253 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.810 13.176 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.134 13.168 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.335 14.902 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.466 13.590 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.977 13.679 -4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.132 13.086 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.951 14.760 -3.525 1.00 0.00 H new ATOM 847 N ASN A 55 -17.128 8.757 -2.455 1.00 0.00 N ATOM 848 CA ASN A 55 -18.160 8.052 -3.207 1.00 0.00 C ATOM 849 C ASN A 55 -18.165 8.613 -4.617 1.00 0.00 C ATOM 850 O ASN A 55 -19.201 8.744 -5.265 1.00 0.00 O ATOM 851 CB ASN A 55 -19.535 8.226 -2.552 1.00 0.00 C ATOM 852 CG ASN A 55 -20.523 7.152 -2.978 1.00 0.00 C ATOM 853 OD1 ASN A 55 -20.625 6.106 -2.342 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.253 7.396 -4.054 1.00 0.00 N ATOM 0 H ASN A 55 -16.754 9.577 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 55 -17.947 6.983 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.423 8.203 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.935 9.206 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.928 6.704 -4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.141 8.276 -4.557 1.00 0.00 H new ATOM 861 N ASP A 56 -16.976 8.943 -5.084 1.00 0.00 N ATOM 862 CA ASP A 56 -16.818 9.650 -6.338 1.00 0.00 C ATOM 863 C ASP A 56 -16.331 8.713 -7.435 1.00 0.00 C ATOM 864 O ASP A 56 -17.093 8.325 -8.324 1.00 0.00 O ATOM 865 CB ASP A 56 -15.827 10.803 -6.156 1.00 0.00 C ATOM 866 CG ASP A 56 -15.822 11.757 -7.328 1.00 0.00 C ATOM 867 OD1 ASP A 56 -15.404 11.356 -8.432 1.00 0.00 O ATOM 868 OD2 ASP A 56 -16.246 12.914 -7.143 1.00 0.00 O ATOM 0 H ASP A 56 -16.099 8.730 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.788 10.046 -6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.076 11.351 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.825 10.397 -6.019 1.00 0.00 H new ATOM 873 N ASN A 57 -15.066 8.333 -7.349 1.00 0.00 N ATOM 874 CA ASN A 57 -14.432 7.542 -8.389 1.00 0.00 C ATOM 875 C ASN A 57 -13.459 6.545 -7.779 1.00 0.00 C ATOM 876 O ASN A 57 -12.992 6.733 -6.653 1.00 0.00 O ATOM 877 CB ASN A 57 -13.692 8.471 -9.366 1.00 0.00 C ATOM 878 CG ASN A 57 -13.018 7.736 -10.511 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.499 6.702 -10.975 1.00 0.00 O ATOM 880 ND2 ASN A 57 -11.896 8.266 -10.975 1.00 0.00 N ATOM 0 H ASN A 57 -14.456 8.562 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.200 6.989 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.400 9.192 -9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.940 9.038 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.399 7.816 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.529 9.124 -10.564 1.00 0.00 H new ATOM 887 N THR A 58 -13.182 5.480 -8.511 1.00 0.00 N ATOM 888 CA THR A 58 -12.163 4.525 -8.129 1.00 0.00 C ATOM 889 C THR A 58 -10.960 4.679 -9.053 1.00 0.00 C ATOM 890 O THR A 58 -10.929 4.125 -10.153 1.00 0.00 O ATOM 891 CB THR A 58 -12.693 3.083 -8.196 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.927 2.993 -7.472 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.685 2.103 -7.613 1.00 0.00 C ATOM 0 H THR A 58 -13.658 5.255 -9.385 1.00 0.00 H new ATOM 0 HA THR A 58 -11.870 4.725 -7.098 1.00 0.00 H new ATOM 0 HB THR A 58 -12.857 2.824 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.266 2.075 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.085 1.091 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.754 2.159 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.493 2.356 -6.570 1.00 0.00 H new ATOM 901 N VAL A 59 -9.990 5.459 -8.606 1.00 0.00 N ATOM 902 CA VAL A 59 -8.828 5.782 -9.418 1.00 0.00 C ATOM 903 C VAL A 59 -7.903 4.579 -9.536 1.00 0.00 C ATOM 904 O VAL A 59 -7.376 4.090 -8.537 1.00 0.00 O ATOM 905 CB VAL A 59 -8.043 6.971 -8.826 1.00 0.00 C ATOM 906 CG1 VAL A 59 -6.935 7.413 -9.768 1.00 0.00 C ATOM 907 CG2 VAL A 59 -8.978 8.129 -8.514 1.00 0.00 C ATOM 0 H VAL A 59 -9.985 5.883 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.191 6.059 -10.408 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.582 6.642 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.397 8.252 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.245 6.585 -9.932 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.368 7.719 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.405 8.957 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.473 8.454 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.728 7.807 -7.791 1.00 0.00 H new ATOM 917 N LEU A 60 -7.726 4.092 -10.754 1.00 0.00 N ATOM 918 CA LEU A 60 -6.848 2.960 -10.994 1.00 0.00 C ATOM 919 C LEU A 60 -5.491 3.429 -11.510 1.00 0.00 C ATOM 920 O LEU A 60 -5.359 3.904 -12.638 1.00 0.00 O ATOM 921 CB LEU A 60 -7.479 1.944 -11.961 1.00 0.00 C ATOM 922 CG LEU A 60 -7.855 2.460 -13.356 1.00 0.00 C ATOM 923 CD1 LEU A 60 -7.953 1.303 -14.335 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.173 3.223 -13.321 1.00 0.00 C ATOM 0 H LEU A 60 -8.178 4.463 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.699 2.453 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.784 1.113 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.378 1.543 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.072 3.143 -13.685 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.220 1.683 -15.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.992 0.792 -14.391 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.717 0.603 -13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.415 3.577 -14.323 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.966 2.564 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.082 4.075 -12.647 1.00 0.00 H new ATOM 936 N LEU A 61 -4.490 3.299 -10.658 1.00 0.00 N ATOM 937 CA LEU A 61 -3.132 3.679 -11.002 1.00 0.00 C ATOM 938 C LEU A 61 -2.381 2.471 -11.534 1.00 0.00 C ATOM 939 O LEU A 61 -2.446 1.395 -10.948 1.00 0.00 O ATOM 940 CB LEU A 61 -2.387 4.211 -9.771 1.00 0.00 C ATOM 941 CG LEU A 61 -3.081 5.324 -8.988 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.224 5.737 -7.800 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.361 6.517 -9.886 1.00 0.00 C ATOM 0 H LEU A 61 -4.594 2.929 -9.713 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.181 4.461 -11.760 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.207 3.377 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.412 4.576 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.035 4.948 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.726 6.531 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.072 4.879 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.259 6.097 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.856 7.298 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.422 6.900 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.007 6.210 -10.709 1.00 0.00 H new ATOM 955 N LYS A 62 -1.682 2.642 -12.643 1.00 0.00 N ATOM 956 CA LYS A 62 -0.812 1.593 -13.144 1.00 0.00 C ATOM 957 C LYS A 62 0.622 1.900 -12.734 1.00 0.00 C ATOM 958 O LYS A 62 1.198 2.909 -13.153 1.00 0.00 O ATOM 959 CB LYS A 62 -0.940 1.452 -14.663 1.00 0.00 C ATOM 960 CG LYS A 62 -0.114 0.311 -15.243 1.00 0.00 C ATOM 961 CD LYS A 62 -0.636 -0.121 -16.606 1.00 0.00 C ATOM 962 CE LYS A 62 -0.633 1.023 -17.605 1.00 0.00 C ATOM 963 NZ LYS A 62 -1.279 0.636 -18.886 1.00 0.00 N ATOM 0 H LYS A 62 -1.699 3.490 -13.209 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.109 0.638 -12.710 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.988 1.296 -14.918 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.633 2.386 -15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.926 0.623 -15.333 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.134 -0.538 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.022 -0.937 -16.987 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.650 -0.507 -16.500 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.155 1.880 -17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.393 1.337 -17.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.258 1.442 -19.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.766 -0.166 -19.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.266 0.360 -18.708 1.00 0.00 H new ATOM 1039 N ILE A 67 5.852 -7.025 -12.857 1.00 0.00 N ATOM 1040 CA ILE A 67 6.722 -7.104 -11.672 1.00 0.00 C ATOM 1041 C ILE A 67 6.101 -7.977 -10.567 1.00 0.00 C ATOM 1042 O ILE A 67 6.278 -7.741 -9.371 1.00 0.00 O ATOM 1043 CB ILE A 67 7.099 -5.683 -11.139 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.365 -5.756 -10.279 1.00 0.00 C ATOM 1045 CG2 ILE A 67 5.968 -5.039 -10.343 1.00 0.00 C ATOM 1046 CD1 ILE A 67 9.582 -6.239 -11.038 1.00 0.00 C ATOM 0 HA ILE A 67 7.647 -7.589 -11.984 1.00 0.00 H new ATOM 0 HB ILE A 67 7.282 -5.055 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.572 -4.769 -9.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.184 -6.422 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.282 -4.054 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.088 -4.936 -10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.725 -5.665 -9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.441 -6.266 -10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.394 -7.239 -11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.788 -5.560 -11.865 1.00 0.00 H new ATOM 1058 N VAL A 68 5.395 -9.018 -10.984 1.00 0.00 N ATOM 1059 CA VAL A 68 4.762 -9.929 -10.050 1.00 0.00 C ATOM 1060 C VAL A 68 5.803 -10.676 -9.209 1.00 0.00 C ATOM 1061 O VAL A 68 6.476 -11.596 -9.676 1.00 0.00 O ATOM 1062 CB VAL A 68 3.815 -10.921 -10.773 1.00 0.00 C ATOM 1063 CG1 VAL A 68 4.529 -11.642 -11.910 1.00 0.00 C ATOM 1064 CG2 VAL A 68 3.219 -11.920 -9.787 1.00 0.00 C ATOM 0 H VAL A 68 5.248 -9.251 -11.966 1.00 0.00 H new ATOM 0 HA VAL A 68 4.154 -9.328 -9.374 1.00 0.00 H new ATOM 0 HB VAL A 68 3.000 -10.343 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.837 -12.330 -12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.885 -10.912 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.376 -12.201 -11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.558 -12.605 -10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.021 -12.485 -9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.651 -11.385 -9.026 1.00 0.00 H new ATOM 1074 N SER A 69 5.960 -10.230 -7.975 1.00 0.00 N ATOM 1075 CA SER A 69 6.827 -10.898 -7.019 1.00 0.00 C ATOM 1076 C SER A 69 5.976 -11.562 -5.944 1.00 0.00 C ATOM 1077 O SER A 69 6.481 -12.018 -4.918 1.00 0.00 O ATOM 1078 CB SER A 69 7.792 -9.890 -6.387 1.00 0.00 C ATOM 1079 OG SER A 69 8.531 -9.193 -7.379 1.00 0.00 O ATOM 0 H SER A 69 5.494 -9.400 -7.609 1.00 0.00 H new ATOM 0 HA SER A 69 7.414 -11.659 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.232 -9.178 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.478 -10.410 -5.718 1.00 0.00 H new ATOM 0 HG SER A 69 9.336 -8.806 -6.976 1.00 0.00 H new ATOM 1085 N VAL A 70 4.675 -11.606 -6.203 1.00 0.00 N ATOM 1086 CA VAL A 70 3.723 -12.189 -5.274 1.00 0.00 C ATOM 1087 C VAL A 70 3.882 -13.699 -5.233 1.00 0.00 C ATOM 1088 O VAL A 70 3.507 -14.407 -6.171 1.00 0.00 O ATOM 1089 CB VAL A 70 2.268 -11.830 -5.640 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.297 -12.400 -4.615 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.107 -10.321 -5.749 1.00 0.00 C ATOM 0 H VAL A 70 4.255 -11.240 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 70 3.935 -11.772 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 70 2.038 -12.274 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.277 -12.135 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.394 -13.485 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.523 -11.989 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.075 -10.083 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.358 -9.858 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.773 -9.939 -6.523 1.00 0.00 H new ATOM 1101 N LYS A 71 4.462 -14.176 -4.152 1.00 0.00 N ATOM 1102 CA LYS A 71 4.673 -15.594 -3.963 1.00 0.00 C ATOM 1103 C LYS A 71 3.428 -16.213 -3.344 1.00 0.00 C ATOM 1104 O LYS A 71 2.796 -15.605 -2.482 1.00 0.00 O ATOM 1105 CB LYS A 71 5.888 -15.826 -3.061 1.00 0.00 C ATOM 1106 CG LYS A 71 6.252 -17.288 -2.878 1.00 0.00 C ATOM 1107 CD LYS A 71 7.399 -17.460 -1.897 1.00 0.00 C ATOM 1108 CE LYS A 71 8.683 -16.820 -2.407 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.792 -16.956 -1.426 1.00 0.00 N ATOM 0 H LYS A 71 4.798 -13.595 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 71 4.863 -16.065 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.745 -15.299 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.691 -15.386 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.382 -17.838 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.528 -17.718 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.127 -17.016 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.568 -18.522 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.972 -17.285 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.507 -15.764 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.650 -16.509 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.526 -16.491 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.977 -17.964 -1.249 1.00 0.00 H new ATOM 1123 N PHE A 72 3.061 -17.404 -3.801 1.00 0.00 N ATOM 1124 CA PHE A 72 1.915 -18.105 -3.243 1.00 0.00 C ATOM 1125 C PHE A 72 2.226 -18.568 -1.820 1.00 0.00 C ATOM 1126 O PHE A 72 2.709 -19.678 -1.600 1.00 0.00 O ATOM 1127 CB PHE A 72 1.521 -19.294 -4.131 1.00 0.00 C ATOM 1128 CG PHE A 72 0.223 -19.942 -3.739 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -0.984 -19.298 -3.962 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.210 -21.197 -3.150 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -2.179 -19.891 -3.601 1.00 0.00 C ATOM 1132 CE2 PHE A 72 -0.980 -21.796 -2.789 1.00 0.00 C ATOM 1133 CZ PHE A 72 -2.176 -21.142 -3.015 1.00 0.00 C ATOM 0 H PHE A 72 3.539 -17.901 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 72 1.069 -17.419 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.449 -18.955 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.314 -20.041 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.991 -18.321 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.142 -21.712 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.113 -19.378 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.976 -22.774 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.108 -21.609 -2.734 1.00 0.00 H new ATOM 1143 N SER A 73 2.001 -17.678 -0.868 1.00 0.00 N ATOM 1144 CA SER A 73 2.224 -17.963 0.536 1.00 0.00 C ATOM 1145 C SER A 73 1.322 -17.088 1.388 1.00 0.00 C ATOM 1146 O SER A 73 0.698 -16.159 0.884 1.00 0.00 O ATOM 1147 CB SER A 73 3.691 -17.721 0.905 1.00 0.00 C ATOM 1148 OG SER A 73 4.549 -18.643 0.248 1.00 0.00 O ATOM 0 H SER A 73 1.657 -16.735 -1.050 1.00 0.00 H new ATOM 0 HA SER A 73 1.988 -19.011 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.973 -16.703 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.816 -17.811 1.984 1.00 0.00 H new ATOM 0 HG SER A 73 4.021 -19.211 -0.352 1.00 0.00 H new ATOM 1154 N LYS A 74 1.245 -17.397 2.671 1.00 0.00 N ATOM 1155 CA LYS A 74 0.452 -16.610 3.597 1.00 0.00 C ATOM 1156 C LYS A 74 1.272 -16.353 4.850 1.00 0.00 C ATOM 1157 O LYS A 74 0.818 -16.589 5.971 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.849 -17.342 3.953 1.00 0.00 C ATOM 1159 CG LYS A 74 -1.593 -17.897 2.750 1.00 0.00 C ATOM 1160 CD LYS A 74 -2.991 -18.362 3.115 1.00 0.00 C ATOM 1161 CE LYS A 74 -3.603 -19.178 1.991 1.00 0.00 C ATOM 1162 NZ LYS A 74 -5.055 -19.410 2.190 1.00 0.00 N ATOM 0 H LYS A 74 1.724 -18.191 3.096 1.00 0.00 H new ATOM 0 HA LYS A 74 0.186 -15.662 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.619 -18.161 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.505 -16.656 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.655 -17.131 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.031 -18.731 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.953 -18.961 4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.621 -17.499 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.446 -18.662 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.090 -20.137 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.355 -20.233 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.243 -19.590 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.586 -18.570 1.883 1.00 0.00 H new ATOM 1176 N ASP A 75 2.487 -15.860 4.647 1.00 0.00 N ATOM 1177 CA ASP A 75 3.447 -15.733 5.736 1.00 0.00 C ATOM 1178 C ASP A 75 3.264 -14.407 6.458 1.00 0.00 C ATOM 1179 O ASP A 75 3.448 -13.341 5.877 1.00 0.00 O ATOM 1180 CB ASP A 75 4.878 -15.838 5.208 1.00 0.00 C ATOM 1181 CG ASP A 75 5.875 -16.134 6.311 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.987 -15.328 7.262 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.534 -17.191 6.245 1.00 0.00 O ATOM 0 H ASP A 75 2.831 -15.542 3.741 1.00 0.00 H new ATOM 0 HA ASP A 75 3.269 -16.547 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.929 -16.624 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.151 -14.905 4.715 1.00 0.00 H new ATOM 1188 N ARG A 76 2.907 -14.483 7.731 1.00 0.00 N ATOM 1189 CA ARG A 76 2.667 -13.290 8.533 1.00 0.00 C ATOM 1190 C ARG A 76 3.950 -12.792 9.193 1.00 0.00 C ATOM 1191 O ARG A 76 4.036 -11.633 9.601 1.00 0.00 O ATOM 1192 CB ARG A 76 1.604 -13.573 9.595 1.00 0.00 C ATOM 1193 CG ARG A 76 0.193 -13.599 9.038 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.813 -14.062 10.077 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.843 -15.516 10.207 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.205 -16.164 11.315 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.470 -15.493 12.430 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -1.286 -17.489 11.306 1.00 0.00 N ATOM 0 H ARG A 76 2.776 -15.361 8.234 1.00 0.00 H new ATOM 0 HA ARG A 76 2.308 -12.506 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.819 -14.531 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.666 -12.813 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.078 -12.603 8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.155 -14.262 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.567 -13.618 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.805 -13.703 9.805 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.569 -16.073 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.397 -14.476 12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.746 -15.995 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.072 -18.007 10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.562 -17.989 12.151 1.00 0.00 H new ATOM 1212 N HIS A 77 4.954 -13.654 9.269 1.00 0.00 N ATOM 1213 CA HIS A 77 6.192 -13.308 9.951 1.00 0.00 C ATOM 1214 C HIS A 77 7.106 -12.532 9.012 1.00 0.00 C ATOM 1215 O HIS A 77 7.840 -11.642 9.439 1.00 0.00 O ATOM 1216 CB HIS A 77 6.897 -14.561 10.483 1.00 0.00 C ATOM 1217 CG HIS A 77 7.979 -14.273 11.482 1.00 0.00 C ATOM 1218 ND1 HIS A 77 8.937 -15.193 11.841 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.240 -13.162 12.213 1.00 0.00 C ATOM 1220 CE1 HIS A 77 9.735 -14.664 12.747 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.336 -13.432 12.991 1.00 0.00 N ATOM 0 H HIS A 77 4.936 -14.592 8.869 1.00 0.00 H new ATOM 0 HA HIS A 77 5.950 -12.676 10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.156 -15.215 10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.327 -15.108 9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.687 -12.235 12.187 1.00 0.00 H new ATOM 0 HE1 HIS A 77 10.576 -15.158 13.212 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.771 -12.786 13.650 1.00 0.00 H new ATOM 1230 N LEU A 78 7.056 -12.863 7.728 1.00 0.00 N ATOM 1231 CA LEU A 78 7.792 -12.102 6.728 1.00 0.00 C ATOM 1232 C LEU A 78 7.220 -10.690 6.639 1.00 0.00 C ATOM 1233 O LEU A 78 7.955 -9.722 6.444 1.00 0.00 O ATOM 1234 CB LEU A 78 7.738 -12.793 5.362 1.00 0.00 C ATOM 1235 CG LEU A 78 8.583 -12.133 4.266 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.043 -12.048 4.689 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.457 -12.900 2.958 1.00 0.00 C ATOM 0 H LEU A 78 6.518 -13.646 7.357 1.00 0.00 H new ATOM 0 HA LEU A 78 8.838 -12.047 7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.067 -13.825 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.701 -12.826 5.029 1.00 0.00 H new ATOM 0 HG LEU A 78 8.209 -11.121 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.624 -11.577 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.124 -11.455 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.427 -13.051 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.064 -12.416 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.803 -13.924 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.414 -12.910 2.641 1.00 0.00 H new ATOM 1249 N ILE A 79 5.905 -10.581 6.804 1.00 0.00 N ATOM 1250 CA ILE A 79 5.247 -9.281 6.868 1.00 0.00 C ATOM 1251 C ILE A 79 5.767 -8.495 8.070 1.00 0.00 C ATOM 1252 O ILE A 79 6.155 -7.334 7.947 1.00 0.00 O ATOM 1253 CB ILE A 79 3.714 -9.420 6.984 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.153 -10.188 5.788 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.058 -8.047 7.088 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.672 -10.482 5.895 1.00 0.00 C ATOM 0 H ILE A 79 5.274 -11.378 6.896 1.00 0.00 H new ATOM 0 HA ILE A 79 5.475 -8.753 5.942 1.00 0.00 H new ATOM 0 HB ILE A 79 3.489 -9.980 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.336 -9.613 4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.695 -11.128 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.977 -8.165 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.434 -7.530 7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.293 -7.463 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.345 -11.029 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.484 -11.084 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.119 -9.545 5.967 1.00 0.00 H new ATOM 1268 N GLU A 80 5.782 -9.159 9.221 1.00 0.00 N ATOM 1269 CA GLU A 80 6.293 -8.571 10.455 1.00 0.00 C ATOM 1270 C GLU A 80 7.726 -8.081 10.266 1.00 0.00 C ATOM 1271 O GLU A 80 8.056 -6.949 10.615 1.00 0.00 O ATOM 1272 CB GLU A 80 6.245 -9.608 11.577 1.00 0.00 C ATOM 1273 CG GLU A 80 6.798 -9.110 12.902 1.00 0.00 C ATOM 1274 CD GLU A 80 7.051 -10.237 13.878 1.00 0.00 C ATOM 1275 OE1 GLU A 80 6.077 -10.764 14.456 1.00 0.00 O ATOM 1276 OE2 GLU A 80 8.225 -10.609 14.066 1.00 0.00 O ATOM 0 H GLU A 80 5.442 -10.115 9.325 1.00 0.00 H new ATOM 0 HA GLU A 80 5.668 -7.718 10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.212 -9.924 11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.808 -10.489 11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.728 -8.570 12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.097 -8.401 13.343 1.00 0.00 H new ATOM 1283 N THR A 81 8.565 -8.945 9.696 1.00 0.00 N ATOM 1284 CA THR A 81 9.967 -8.625 9.457 1.00 0.00 C ATOM 1285 C THR A 81 10.102 -7.418 8.528 1.00 0.00 C ATOM 1286 O THR A 81 10.887 -6.505 8.789 1.00 0.00 O ATOM 1287 CB THR A 81 10.710 -9.833 8.848 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.486 -10.998 9.654 1.00 0.00 O ATOM 1289 CG2 THR A 81 12.207 -9.567 8.744 1.00 0.00 C ATOM 0 H THR A 81 8.292 -9.879 9.390 1.00 0.00 H new ATOM 0 HA THR A 81 10.417 -8.381 10.419 1.00 0.00 H new ATOM 0 HB THR A 81 10.320 -9.997 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.572 -11.322 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.702 -10.437 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.379 -8.698 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.612 -9.376 9.738 1.00 0.00 H new ATOM 1297 N THR A 82 9.320 -7.409 7.455 1.00 0.00 N ATOM 1298 CA THR A 82 9.344 -6.310 6.496 1.00 0.00 C ATOM 1299 C THR A 82 8.874 -5.010 7.146 1.00 0.00 C ATOM 1300 O THR A 82 9.484 -3.954 6.955 1.00 0.00 O ATOM 1301 CB THR A 82 8.465 -6.628 5.272 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.872 -7.874 4.693 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.567 -5.526 4.228 1.00 0.00 C ATOM 0 H THR A 82 8.660 -8.152 7.226 1.00 0.00 H new ATOM 0 HA THR A 82 10.375 -6.185 6.164 1.00 0.00 H new ATOM 0 HB THR A 82 7.429 -6.697 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.666 -8.605 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.937 -5.775 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.235 -4.582 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.602 -5.430 3.900 1.00 0.00 H new ATOM 1311 N SER A 83 7.800 -5.096 7.923 1.00 0.00 N ATOM 1312 CA SER A 83 7.288 -3.950 8.657 1.00 0.00 C ATOM 1313 C SER A 83 8.357 -3.422 9.605 1.00 0.00 C ATOM 1314 O SER A 83 8.677 -2.230 9.596 1.00 0.00 O ATOM 1315 CB SER A 83 6.029 -4.346 9.436 1.00 0.00 C ATOM 1316 OG SER A 83 5.529 -3.265 10.204 1.00 0.00 O ATOM 0 H SER A 83 7.266 -5.954 8.060 1.00 0.00 H new ATOM 0 HA SER A 83 7.026 -3.161 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.261 -4.684 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.256 -5.186 10.093 1.00 0.00 H new ATOM 0 HG SER A 83 4.726 -3.551 10.687 1.00 0.00 H new ATOM 1322 N ASN A 84 8.927 -4.328 10.393 1.00 0.00 N ATOM 1323 CA ASN A 84 9.952 -3.979 11.368 1.00 0.00 C ATOM 1324 C ASN A 84 11.150 -3.332 10.687 1.00 0.00 C ATOM 1325 O ASN A 84 11.658 -2.312 11.146 1.00 0.00 O ATOM 1326 CB ASN A 84 10.401 -5.229 12.129 1.00 0.00 C ATOM 1327 CG ASN A 84 11.425 -4.921 13.204 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.401 -3.852 13.817 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.333 -5.854 13.444 1.00 0.00 N ATOM 0 H ASN A 84 8.692 -5.320 10.373 1.00 0.00 H new ATOM 0 HA ASN A 84 9.525 -3.263 12.070 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.532 -5.704 12.585 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.823 -5.946 11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.046 -5.701 14.158 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.320 -6.726 12.915 1.00 0.00 H new ATOM 1336 N LYS A 85 11.582 -3.916 9.581 1.00 0.00 N ATOM 1337 CA LYS A 85 12.738 -3.412 8.856 1.00 0.00 C ATOM 1338 C LYS A 85 12.506 -1.979 8.379 1.00 0.00 C ATOM 1339 O LYS A 85 13.417 -1.157 8.414 1.00 0.00 O ATOM 1340 CB LYS A 85 13.060 -4.322 7.671 1.00 0.00 C ATOM 1341 CG LYS A 85 14.345 -3.948 6.948 1.00 0.00 C ATOM 1342 CD LYS A 85 14.608 -4.853 5.756 1.00 0.00 C ATOM 1343 CE LYS A 85 15.879 -4.446 5.027 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.118 -5.281 3.822 1.00 0.00 N ATOM 0 H LYS A 85 11.149 -4.741 9.165 1.00 0.00 H new ATOM 0 HA LYS A 85 13.589 -3.407 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.138 -5.350 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.232 -4.289 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.284 -2.913 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.183 -4.009 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.693 -5.886 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.762 -4.810 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.810 -3.398 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.729 -4.533 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.966 -4.939 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.260 -6.271 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.296 -5.218 3.188 1.00 0.00 H new ATOM 1358 N LEU A 86 11.286 -1.677 7.953 1.00 0.00 N ATOM 1359 CA LEU A 86 10.958 -0.336 7.480 1.00 0.00 C ATOM 1360 C LEU A 86 10.886 0.658 8.634 1.00 0.00 C ATOM 1361 O LEU A 86 11.544 1.697 8.618 1.00 0.00 O ATOM 1362 CB LEU A 86 9.625 -0.338 6.729 1.00 0.00 C ATOM 1363 CG LEU A 86 9.101 1.051 6.342 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.022 1.714 5.331 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.687 0.959 5.799 1.00 0.00 C ATOM 0 H LEU A 86 10.510 -2.338 7.925 1.00 0.00 H new ATOM 0 HA LEU A 86 11.754 -0.028 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.736 -0.934 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.877 -0.834 7.347 1.00 0.00 H new ATOM 0 HG LEU A 86 9.083 1.668 7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.630 2.697 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.017 1.822 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.080 1.098 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.335 1.955 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.677 0.321 4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.032 0.535 6.560 1.00 0.00 H new ATOM 1377 N LYS A 87 10.094 0.328 9.643 1.00 0.00 N ATOM 1378 CA LYS A 87 9.810 1.263 10.723 1.00 0.00 C ATOM 1379 C LYS A 87 11.005 1.431 11.660 1.00 0.00 C ATOM 1380 O LYS A 87 11.133 2.450 12.338 1.00 0.00 O ATOM 1381 CB LYS A 87 8.565 0.815 11.492 1.00 0.00 C ATOM 1382 CG LYS A 87 8.703 -0.526 12.195 1.00 0.00 C ATOM 1383 CD LYS A 87 7.344 -1.190 12.401 1.00 0.00 C ATOM 1384 CE LYS A 87 6.345 -0.249 13.052 1.00 0.00 C ATOM 1385 NZ LYS A 87 5.008 -0.881 13.238 1.00 0.00 N ATOM 0 H LYS A 87 9.637 -0.579 9.737 1.00 0.00 H new ATOM 0 HA LYS A 87 9.616 2.240 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.319 1.575 12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.725 0.762 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.345 -1.182 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.190 -0.384 13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.954 -1.524 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.464 -2.078 13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.730 0.072 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.239 0.645 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.426 -0.285 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.539 -0.979 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.125 -1.820 13.669 1.00 0.00 H new ATOM 1399 N SER A 88 11.877 0.439 11.691 1.00 0.00 N ATOM 1400 CA SER A 88 13.062 0.509 12.533 1.00 0.00 C ATOM 1401 C SER A 88 14.302 0.937 11.741 1.00 0.00 C ATOM 1402 O SER A 88 15.031 1.831 12.164 1.00 0.00 O ATOM 1403 CB SER A 88 13.310 -0.838 13.209 1.00 0.00 C ATOM 1404 OG SER A 88 12.161 -1.267 13.924 1.00 0.00 O ATOM 0 H SER A 88 11.790 -0.420 11.148 1.00 0.00 H new ATOM 0 HA SER A 88 12.879 1.268 13.294 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.575 -1.583 12.458 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.157 -0.757 13.890 1.00 0.00 H new ATOM 0 HG SER A 88 11.921 -2.175 13.643 1.00 0.00 H new ATOM 1410 N ARG A 89 14.534 0.315 10.588 1.00 0.00 N ATOM 1411 CA ARG A 89 15.770 0.549 9.838 1.00 0.00 C ATOM 1412 C ARG A 89 15.585 1.532 8.683 1.00 0.00 C ATOM 1413 O ARG A 89 16.518 1.750 7.908 1.00 0.00 O ATOM 1414 CB ARG A 89 16.346 -0.767 9.307 1.00 0.00 C ATOM 1415 CG ARG A 89 16.944 -1.654 10.383 1.00 0.00 C ATOM 1416 CD ARG A 89 17.685 -2.829 9.770 1.00 0.00 C ATOM 1417 NE ARG A 89 18.441 -3.587 10.765 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.774 -3.577 10.849 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.490 -2.790 10.054 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.383 -4.333 11.751 1.00 0.00 N ATOM 0 H ARG A 89 13.892 -0.348 10.154 1.00 0.00 H new ATOM 0 HA ARG A 89 16.472 0.997 10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.557 -1.317 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 89 17.113 -0.544 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.627 -1.071 11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.154 -2.020 11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.971 -3.490 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.365 -2.465 9.000 1.00 0.00 H new ATOM 0 HE ARG A 89 17.921 -4.156 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.022 -2.189 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.508 -2.786 10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.834 -4.920 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.401 -4.328 11.818 1.00 0.00 H new ATOM 1434 N GLU A 90 14.385 2.103 8.569 1.00 0.00 N ATOM 1435 CA GLU A 90 14.093 3.175 7.601 1.00 0.00 C ATOM 1436 C GLU A 90 13.988 2.651 6.167 1.00 0.00 C ATOM 1437 O GLU A 90 12.962 2.836 5.517 1.00 0.00 O ATOM 1438 CB GLU A 90 15.148 4.285 7.690 1.00 0.00 C ATOM 1439 CG GLU A 90 15.223 4.938 9.060 1.00 0.00 C ATOM 1440 CD GLU A 90 16.439 5.825 9.220 1.00 0.00 C ATOM 1441 OE1 GLU A 90 16.370 7.014 8.850 1.00 0.00 O ATOM 1442 OE2 GLU A 90 17.473 5.336 9.725 1.00 0.00 O ATOM 0 H GLU A 90 13.584 1.839 9.143 1.00 0.00 H new ATOM 0 HA GLU A 90 13.119 3.587 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.124 3.869 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.926 5.048 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 90 14.323 5.530 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.240 4.163 9.827 1.00 0.00 H new ATOM 1449 N ILE A 91 15.057 1.996 5.702 1.00 0.00 N ATOM 1450 CA ILE A 91 15.166 1.448 4.338 1.00 0.00 C ATOM 1451 C ILE A 91 14.462 2.317 3.284 1.00 0.00 C ATOM 1452 O ILE A 91 14.759 3.507 3.154 1.00 0.00 O ATOM 1453 CB ILE A 91 14.677 -0.025 4.241 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.247 -0.197 4.770 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.631 -0.930 5.002 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.664 -1.572 4.512 1.00 0.00 C ATOM 0 H ILE A 91 15.887 1.827 6.270 1.00 0.00 H new ATOM 0 HA ILE A 91 16.233 1.461 4.115 1.00 0.00 H new ATOM 0 HB ILE A 91 14.665 -0.303 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.240 -0.005 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.605 0.553 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.287 -1.962 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.629 -0.851 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.663 -0.627 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.652 -1.619 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.638 -1.761 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.283 -2.327 4.998 1.00 0.00 H new ATOM 1468 N THR A 92 13.553 1.717 2.524 1.00 0.00 N ATOM 1469 CA THR A 92 12.808 2.432 1.502 1.00 0.00 C ATOM 1470 C THR A 92 11.404 1.837 1.358 1.00 0.00 C ATOM 1471 O THR A 92 11.225 0.615 1.451 1.00 0.00 O ATOM 1472 CB THR A 92 13.543 2.375 0.147 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.923 2.724 0.329 1.00 0.00 O ATOM 1474 CG2 THR A 92 12.914 3.327 -0.861 1.00 0.00 C ATOM 0 H THR A 92 13.315 0.728 2.600 1.00 0.00 H new ATOM 0 HA THR A 92 12.725 3.475 1.808 1.00 0.00 H new ATOM 0 HB THR A 92 13.462 1.359 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.387 2.685 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.453 3.265 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.871 3.052 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.966 4.347 -0.480 1.00 0.00 H new ATOM 1482 N PHE A 93 10.417 2.705 1.135 1.00 0.00 N ATOM 1483 CA PHE A 93 9.019 2.290 1.040 1.00 0.00 C ATOM 1484 C PHE A 93 8.815 1.276 -0.090 1.00 0.00 C ATOM 1485 O PHE A 93 7.927 0.424 -0.022 1.00 0.00 O ATOM 1486 CB PHE A 93 8.121 3.512 0.812 1.00 0.00 C ATOM 1487 CG PHE A 93 6.650 3.218 0.887 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.051 2.912 2.099 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.863 3.259 -0.252 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.696 2.650 2.172 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.509 3.000 -0.184 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.924 2.695 1.029 1.00 0.00 C ATOM 0 H PHE A 93 10.563 3.707 1.016 1.00 0.00 H new ATOM 0 HA PHE A 93 8.747 1.810 1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.366 4.272 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.346 3.937 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.650 2.878 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.314 3.496 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.242 2.410 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.907 3.036 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.865 2.492 1.083 1.00 0.00 H new ATOM 1502 N GLN A 94 9.648 1.368 -1.123 1.00 0.00 N ATOM 1503 CA GLN A 94 9.560 0.469 -2.270 1.00 0.00 C ATOM 1504 C GLN A 94 9.811 -0.979 -1.854 1.00 0.00 C ATOM 1505 O GLN A 94 9.056 -1.881 -2.229 1.00 0.00 O ATOM 1506 CB GLN A 94 10.564 0.877 -3.355 1.00 0.00 C ATOM 1507 CG GLN A 94 10.433 0.066 -4.636 1.00 0.00 C ATOM 1508 CD GLN A 94 9.070 0.223 -5.282 1.00 0.00 C ATOM 1509 OE1 GLN A 94 8.442 1.274 -5.178 1.00 0.00 O ATOM 1510 NE2 GLN A 94 8.606 -0.820 -5.950 1.00 0.00 N ATOM 0 H GLN A 94 10.395 2.059 -1.189 1.00 0.00 H new ATOM 0 HA GLN A 94 8.550 0.545 -2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.428 1.933 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.575 0.764 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.204 0.377 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.609 -0.987 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.160 -1.674 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.694 -0.770 -6.404 1.00 0.00 H new ATOM 1519 N GLU A 95 10.864 -1.195 -1.073 1.00 0.00 N ATOM 1520 CA GLU A 95 11.216 -2.536 -0.628 1.00 0.00 C ATOM 1521 C GLU A 95 10.117 -3.095 0.267 1.00 0.00 C ATOM 1522 O GLU A 95 9.793 -4.282 0.202 1.00 0.00 O ATOM 1523 CB GLU A 95 12.546 -2.531 0.130 1.00 0.00 C ATOM 1524 CG GLU A 95 13.159 -3.917 0.263 1.00 0.00 C ATOM 1525 CD GLU A 95 14.252 -3.994 1.306 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.295 -3.325 1.141 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.076 -4.733 2.296 1.00 0.00 O ATOM 0 H GLU A 95 11.486 -0.460 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 95 11.323 -3.168 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.249 -1.877 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.390 -2.112 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.375 -4.630 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.566 -4.220 -0.702 1.00 0.00 H new ATOM 1534 N TYR A 96 9.538 -2.222 1.090 1.00 0.00 N ATOM 1535 CA TYR A 96 8.449 -2.608 1.986 1.00 0.00 C ATOM 1536 C TYR A 96 7.313 -3.267 1.209 1.00 0.00 C ATOM 1537 O TYR A 96 6.900 -4.382 1.527 1.00 0.00 O ATOM 1538 CB TYR A 96 7.935 -1.379 2.749 1.00 0.00 C ATOM 1539 CG TYR A 96 6.759 -1.651 3.669 1.00 0.00 C ATOM 1540 CD1 TYR A 96 6.904 -2.439 4.804 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.509 -1.107 3.408 1.00 0.00 C ATOM 1542 CE1 TYR A 96 5.837 -2.678 5.651 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.437 -1.340 4.251 1.00 0.00 C ATOM 1544 CZ TYR A 96 4.606 -2.126 5.370 1.00 0.00 C ATOM 1545 OH TYR A 96 3.536 -2.359 6.213 1.00 0.00 O ATOM 0 H TYR A 96 9.806 -1.240 1.155 1.00 0.00 H new ATOM 0 HA TYR A 96 8.833 -3.334 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.753 -0.966 3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.646 -0.615 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.867 -2.873 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.371 -0.491 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.968 -3.294 6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.472 -0.908 4.033 1.00 0.00 H new ATOM 0 HH TYR A 96 3.862 -2.488 7.128 1.00 0.00 H new ATOM 1555 N ARG A 97 6.832 -2.589 0.171 1.00 0.00 N ATOM 1556 CA ARG A 97 5.734 -3.108 -0.640 1.00 0.00 C ATOM 1557 C ARG A 97 6.149 -4.388 -1.357 1.00 0.00 C ATOM 1558 O ARG A 97 5.361 -5.325 -1.489 1.00 0.00 O ATOM 1559 CB ARG A 97 5.283 -2.076 -1.678 1.00 0.00 C ATOM 1560 CG ARG A 97 4.905 -0.730 -1.092 1.00 0.00 C ATOM 1561 CD ARG A 97 4.132 0.118 -2.093 1.00 0.00 C ATOM 1562 NE ARG A 97 4.764 0.149 -3.414 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.047 1.268 -4.080 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.835 2.454 -3.519 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.544 1.203 -5.307 1.00 0.00 N ATOM 0 H ARG A 97 7.184 -1.680 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 97 4.905 -3.324 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.084 -1.932 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.428 -2.475 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.301 -0.879 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.806 -0.200 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.119 -0.273 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.046 1.136 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 97 5.002 -0.741 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.454 2.511 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.053 3.308 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.710 0.296 -5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.760 2.060 -5.816 1.00 0.00 H new ATOM 1579 N ARG A 98 7.398 -4.421 -1.808 1.00 0.00 N ATOM 1580 CA ARG A 98 7.901 -5.538 -2.593 1.00 0.00 C ATOM 1581 C ARG A 98 7.956 -6.817 -1.759 1.00 0.00 C ATOM 1582 O ARG A 98 7.511 -7.879 -2.202 1.00 0.00 O ATOM 1583 CB ARG A 98 9.293 -5.218 -3.139 1.00 0.00 C ATOM 1584 CG ARG A 98 9.696 -6.087 -4.319 1.00 0.00 C ATOM 1585 CD ARG A 98 9.304 -5.454 -5.648 1.00 0.00 C ATOM 1586 NE ARG A 98 7.902 -5.020 -5.690 1.00 0.00 N ATOM 1587 CZ ARG A 98 6.964 -5.600 -6.444 1.00 0.00 C ATOM 1588 NH1 ARG A 98 7.247 -6.707 -7.118 1.00 0.00 N ATOM 1589 NH2 ARG A 98 5.740 -5.081 -6.513 1.00 0.00 N ATOM 0 H ARG A 98 8.082 -3.683 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 98 7.215 -5.698 -3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.324 -4.171 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.025 -5.341 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.773 -6.251 -4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.223 -7.065 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.949 -4.596 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.480 -6.170 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 98 7.628 -4.228 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.180 -7.115 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.531 -7.150 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.514 -4.236 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.028 -5.528 -7.090 1.00 0.00 H new ATOM 1603 N ASN A 99 8.497 -6.711 -0.550 1.00 0.00 N ATOM 1604 CA ASN A 99 8.653 -7.870 0.325 1.00 0.00 C ATOM 1605 C ASN A 99 7.303 -8.366 0.825 1.00 0.00 C ATOM 1606 O ASN A 99 7.145 -9.548 1.126 1.00 0.00 O ATOM 1607 CB ASN A 99 9.558 -7.546 1.516 1.00 0.00 C ATOM 1608 CG ASN A 99 10.998 -7.274 1.116 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.505 -7.822 0.134 1.00 0.00 O ATOM 1610 ND2 ASN A 99 11.668 -6.430 1.885 1.00 0.00 N ATOM 0 H ASN A 99 8.835 -5.835 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 99 9.120 -8.659 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.162 -6.675 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.534 -8.378 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.642 -6.211 1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.210 -5.999 2.688 1.00 0.00 H new ATOM 1617 N LEU A 100 6.327 -7.468 0.907 1.00 0.00 N ATOM 1618 CA LEU A 100 4.972 -7.857 1.282 1.00 0.00 C ATOM 1619 C LEU A 100 4.389 -8.809 0.244 1.00 0.00 C ATOM 1620 O LEU A 100 3.804 -9.838 0.586 1.00 0.00 O ATOM 1621 CB LEU A 100 4.072 -6.631 1.436 1.00 0.00 C ATOM 1622 CG LEU A 100 4.388 -5.738 2.638 1.00 0.00 C ATOM 1623 CD1 LEU A 100 3.470 -4.532 2.663 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.257 -6.521 3.931 1.00 0.00 C ATOM 0 H LEU A 100 6.447 -6.472 0.720 1.00 0.00 H new ATOM 0 HA LEU A 100 5.021 -8.367 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.144 -6.031 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.038 -6.967 1.515 1.00 0.00 H new ATOM 0 HG LEU A 100 5.417 -5.390 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.710 -3.910 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.604 -3.954 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.434 -4.864 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.485 -5.870 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.238 -6.896 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.953 -7.360 3.921 1.00 0.00 H new ATOM 1636 N ALA A 101 4.570 -8.468 -1.029 1.00 0.00 N ATOM 1637 CA ALA A 101 4.134 -9.329 -2.123 1.00 0.00 C ATOM 1638 C ALA A 101 4.865 -10.663 -2.065 1.00 0.00 C ATOM 1639 O ALA A 101 4.309 -11.716 -2.376 1.00 0.00 O ATOM 1640 CB ALA A 101 4.383 -8.648 -3.460 1.00 0.00 C ATOM 0 H ALA A 101 5.016 -7.601 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 101 3.065 -9.512 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.053 -9.301 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.827 -7.711 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.448 -8.443 -3.571 1.00 0.00 H new ATOM 1646 N LYS A 102 6.110 -10.600 -1.620 1.00 0.00 N ATOM 1647 CA LYS A 102 6.974 -11.768 -1.511 1.00 0.00 C ATOM 1648 C LYS A 102 6.483 -12.702 -0.400 1.00 0.00 C ATOM 1649 O LYS A 102 6.839 -13.882 -0.363 1.00 0.00 O ATOM 1650 CB LYS A 102 8.401 -11.291 -1.224 1.00 0.00 C ATOM 1651 CG LYS A 102 9.491 -12.293 -1.547 1.00 0.00 C ATOM 1652 CD LYS A 102 10.853 -11.692 -1.241 1.00 0.00 C ATOM 1653 CE LYS A 102 11.991 -12.526 -1.796 1.00 0.00 C ATOM 1654 NZ LYS A 102 13.307 -11.877 -1.546 1.00 0.00 N ATOM 0 H LYS A 102 6.554 -9.731 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 102 6.954 -12.329 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.585 -10.381 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.474 -11.026 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.346 -13.202 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.437 -12.576 -2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.906 -10.687 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.970 -11.595 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.978 -13.515 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.851 -12.669 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.067 -12.470 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.326 -10.944 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.449 -11.763 -0.522 1.00 0.00 H new ATOM 1668 N ALA A 103 5.667 -12.161 0.499 1.00 0.00 N ATOM 1669 CA ALA A 103 5.102 -12.935 1.600 1.00 0.00 C ATOM 1670 C ALA A 103 3.764 -13.546 1.201 1.00 0.00 C ATOM 1671 O ALA A 103 3.275 -14.472 1.853 1.00 0.00 O ATOM 1672 CB ALA A 103 4.932 -12.055 2.829 1.00 0.00 C ATOM 0 H ALA A 103 5.380 -11.182 0.486 1.00 0.00 H new ATOM 0 HA ALA A 103 5.791 -13.745 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.510 -12.644 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.902 -11.661 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.262 -11.228 2.594 1.00 0.00 H new ATOM 1678 N GLY A 104 3.182 -13.022 0.130 1.00 0.00 N ATOM 1679 CA GLY A 104 1.903 -13.519 -0.340 1.00 0.00 C ATOM 1680 C GLY A 104 0.816 -12.465 -0.297 1.00 0.00 C ATOM 1681 O GLY A 104 -0.336 -12.743 -0.622 1.00 0.00 O ATOM 0 H GLY A 104 3.574 -12.260 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.012 -13.882 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.602 -14.371 0.270 1.00 0.00 H new ATOM 1685 N VAL A 105 1.180 -11.254 0.097 1.00 0.00 N ATOM 1686 CA VAL A 105 0.216 -10.165 0.182 1.00 0.00 C ATOM 1687 C VAL A 105 -0.130 -9.643 -1.207 1.00 0.00 C ATOM 1688 O VAL A 105 0.726 -9.127 -1.927 1.00 0.00 O ATOM 1689 CB VAL A 105 0.739 -9.004 1.051 1.00 0.00 C ATOM 1690 CG1 VAL A 105 -0.301 -7.899 1.155 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.130 -9.508 2.434 1.00 0.00 C ATOM 0 H VAL A 105 2.132 -11.000 0.362 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.681 -10.568 0.653 1.00 0.00 H new ATOM 0 HB VAL A 105 1.627 -8.590 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.089 -7.090 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.528 -7.518 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.210 -8.296 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.497 -8.676 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.260 -9.950 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.913 -10.260 2.339 1.00 0.00 H new ATOM 1701 N PHE A 106 -1.390 -9.793 -1.578 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.866 -9.350 -2.877 1.00 0.00 C ATOM 1703 C PHE A 106 -2.854 -8.199 -2.718 1.00 0.00 C ATOM 1704 O PHE A 106 -2.995 -7.360 -3.610 1.00 0.00 O ATOM 1705 CB PHE A 106 -2.516 -10.525 -3.616 1.00 0.00 C ATOM 1706 CG PHE A 106 -3.137 -10.163 -4.936 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -2.360 -9.693 -5.982 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -4.502 -10.303 -5.129 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -2.933 -9.369 -7.196 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -5.080 -9.980 -6.340 1.00 0.00 C ATOM 1711 CZ PHE A 106 -4.295 -9.512 -7.376 1.00 0.00 C ATOM 0 H PHE A 106 -2.107 -10.222 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.021 -8.990 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.763 -11.295 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.282 -10.962 -2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.295 -9.579 -5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.121 -10.669 -4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.317 -9.004 -8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.145 -10.093 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.745 -9.259 -8.324 1.00 0.00 H new ATOM 1721 N ARG A 107 -3.527 -8.150 -1.575 1.00 0.00 N ATOM 1722 CA ARG A 107 -4.531 -7.122 -1.336 1.00 0.00 C ATOM 1723 C ARG A 107 -4.085 -6.171 -0.235 1.00 0.00 C ATOM 1724 O ARG A 107 -4.189 -6.485 0.950 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.880 -7.742 -0.955 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.400 -8.775 -1.944 1.00 0.00 C ATOM 1727 CD ARG A 107 -6.657 -8.174 -3.318 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.627 -7.074 -3.283 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.949 -7.239 -3.367 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.478 -8.456 -3.368 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -9.753 -6.182 -3.425 1.00 0.00 N ATOM 0 H ARG A 107 -3.397 -8.805 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.649 -6.564 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.787 -8.210 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.618 -6.945 -0.859 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.678 -9.586 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.323 -9.210 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.717 -7.811 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.021 -8.953 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.269 -6.124 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.873 -9.275 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.489 -8.572 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.360 -5.241 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.763 -6.312 -3.489 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.568 -5.024 -0.641 1.00 0.00 N ATOM 1746 CA TRP A 108 -3.209 -3.962 0.287 1.00 0.00 C ATOM 1747 C TRP A 108 -4.403 -3.023 0.438 1.00 0.00 C ATOM 1748 O TRP A 108 -4.673 -2.207 -0.438 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.972 -3.219 -0.250 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.516 -2.024 0.550 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -2.280 -0.988 1.005 1.00 0.00 C ATOM 1752 CD2 TRP A 108 -0.168 -1.716 0.929 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.500 -0.072 1.661 1.00 0.00 N ATOM 1754 CE2 TRP A 108 -0.199 -0.490 1.627 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.059 -2.357 0.756 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 0.948 0.101 2.148 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.196 -1.768 1.271 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.133 -0.548 1.959 1.00 0.00 C ATOM 0 H TRP A 108 -3.385 -4.802 -1.620 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.960 -4.368 1.267 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.146 -3.927 -0.310 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -2.184 -2.890 -1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.348 -0.903 0.867 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.836 0.784 2.103 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.118 -3.298 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.902 1.039 2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.151 -2.255 1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.042 -0.113 2.348 1.00 0.00 H new ATOM 1769 N VAL A 109 -5.137 -3.158 1.528 1.00 0.00 N ATOM 1770 CA VAL A 109 -6.332 -2.353 1.735 1.00 0.00 C ATOM 1771 C VAL A 109 -6.131 -1.349 2.865 1.00 0.00 C ATOM 1772 O VAL A 109 -6.075 -1.719 4.033 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.560 -3.234 2.047 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.819 -2.388 2.173 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.741 -4.301 0.982 1.00 0.00 C ATOM 0 H VAL A 109 -4.930 -3.814 2.281 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.514 -1.813 0.806 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.385 -3.728 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.670 -3.033 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.693 -1.666 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.997 -1.859 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.612 -4.910 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.887 -3.826 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.854 -4.934 0.947 1.00 0.00 H new ATOM 1785 N THR A 110 -6.014 -0.079 2.513 1.00 0.00 N ATOM 1786 CA THR A 110 -5.887 0.972 3.511 1.00 0.00 C ATOM 1787 C THR A 110 -7.197 1.733 3.660 1.00 0.00 C ATOM 1788 O THR A 110 -7.570 2.523 2.789 1.00 0.00 O ATOM 1789 CB THR A 110 -4.762 1.957 3.154 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.535 1.241 2.983 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.589 3.014 4.238 1.00 0.00 C ATOM 0 H THR A 110 -6.004 0.249 1.547 1.00 0.00 H new ATOM 0 HA THR A 110 -5.638 0.490 4.456 1.00 0.00 H new ATOM 0 HB THR A 110 -5.031 2.461 2.226 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.618 0.626 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.786 3.696 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.517 3.574 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.339 2.530 5.182 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.895 1.479 4.757 1.00 0.00 N ATOM 1800 CA ASN A 111 -9.158 2.148 5.035 1.00 0.00 C ATOM 1801 C ASN A 111 -8.937 3.241 6.074 1.00 0.00 C ATOM 1802 O ASN A 111 -8.580 2.962 7.220 1.00 0.00 O ATOM 1803 CB ASN A 111 -10.209 1.137 5.512 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.608 1.731 5.600 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.787 2.901 5.933 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -12.610 0.929 5.278 1.00 0.00 N ATOM 0 H ASN A 111 -7.607 0.811 5.472 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.532 2.606 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.223 0.287 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.920 0.755 6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.569 1.276 5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.424 -0.036 5.006 1.00 0.00 H new ATOM 1813 N ILE A 112 -9.152 4.481 5.663 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.854 5.636 6.503 1.00 0.00 C ATOM 1815 C ILE A 112 -9.912 5.824 7.590 1.00 0.00 C ATOM 1816 O ILE A 112 -9.631 6.391 8.646 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.727 6.920 5.650 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.606 6.757 4.617 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.471 8.141 6.523 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -6.244 6.490 5.227 1.00 0.00 C ATOM 0 H ILE A 112 -9.534 4.717 4.747 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.898 5.446 6.991 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.672 7.076 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.860 5.937 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.551 7.660 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.387 9.027 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.298 8.269 7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.544 8.002 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.504 6.386 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.967 7.321 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.281 5.570 5.811 1.00 0.00 H new ATOM 1832 N HIS A 113 -11.113 5.306 7.351 1.00 0.00 N ATOM 1833 CA HIS A 113 -12.207 5.436 8.317 1.00 0.00 C ATOM 1834 C HIS A 113 -11.832 4.794 9.653 1.00 0.00 C ATOM 1835 O HIS A 113 -12.274 5.236 10.713 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.502 4.800 7.788 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.119 5.513 6.622 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.690 6.763 6.718 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.281 5.131 5.330 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.176 7.117 5.545 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -14.942 6.146 4.684 1.00 0.00 N ATOM 0 H HIS A 113 -11.356 4.794 6.503 1.00 0.00 H new ATOM 0 HA HIS A 113 -12.379 6.502 8.467 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.293 3.770 7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -14.229 4.761 8.599 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.730 7.328 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.951 4.201 4.891 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -15.681 8.046 5.326 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.007 3.756 9.596 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.548 3.081 10.804 1.00 0.00 C ATOM 1852 C GLU A 114 -9.056 3.284 11.027 1.00 0.00 C ATOM 1853 O GLU A 114 -8.521 2.872 12.057 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.841 1.586 10.737 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.314 1.237 10.842 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.526 -0.249 11.008 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -11.787 -0.871 11.797 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.427 -0.807 10.352 1.00 0.00 O ATOM 0 H GLU A 114 -10.642 3.364 8.728 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.092 3.523 11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.452 1.192 9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.302 1.085 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.753 1.764 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.834 1.581 9.948 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.387 3.913 10.061 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.934 4.090 10.113 1.00 0.00 C ATOM 1867 C GLN A 115 -6.233 2.727 10.191 1.00 0.00 C ATOM 1868 O GLN A 115 -5.240 2.555 10.900 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.542 4.966 11.313 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.096 6.385 11.250 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.408 7.246 10.203 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -7.019 8.139 9.615 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -5.125 7.004 9.982 1.00 0.00 N ATOM 0 H GLN A 115 -8.828 4.310 9.231 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.613 4.593 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.894 4.490 12.228 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.455 5.013 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.163 6.343 11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -6.987 6.855 12.227 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.653 6.255 10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.609 7.566 9.305 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.752 1.761 9.438 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.199 0.409 9.427 1.00 0.00 C ATOM 1884 C LYS A 116 -5.726 0.024 8.032 1.00 0.00 C ATOM 1885 O LYS A 116 -6.341 0.390 7.030 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.232 -0.625 9.892 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.610 -0.543 11.362 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.528 -1.697 11.750 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.940 -1.639 13.214 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.812 -0.471 13.505 1.00 0.00 N ATOM 0 H LYS A 116 -7.557 1.890 8.825 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.355 0.411 10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.135 -0.508 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.842 -1.622 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.709 -0.567 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.107 0.406 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.419 -1.676 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.022 -2.643 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.465 -2.557 13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.048 -1.590 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.191 -0.553 14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.257 0.405 13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.598 -0.447 12.825 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.628 -0.713 7.977 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.163 -1.302 6.733 1.00 0.00 C ATOM 1906 C ARG A 117 -4.305 -2.813 6.778 1.00 0.00 C ATOM 1907 O ARG A 117 -3.590 -3.493 7.516 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.712 -0.920 6.445 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.566 0.474 5.871 1.00 0.00 C ATOM 1910 CD ARG A 117 -1.141 0.758 5.442 1.00 0.00 C ATOM 1911 NE ARG A 117 -1.069 1.925 4.564 1.00 0.00 N ATOM 1912 CZ ARG A 117 -0.118 2.852 4.630 1.00 0.00 C ATOM 1913 NH1 ARG A 117 0.819 2.777 5.568 1.00 0.00 N ATOM 1914 NH2 ARG A 117 -0.112 3.852 3.754 1.00 0.00 N ATOM 0 H ARG A 117 -4.040 -0.918 8.785 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.783 -0.909 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.135 -0.989 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.285 -1.640 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.233 0.587 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.875 1.208 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.521 0.925 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.735 -0.112 4.927 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.795 2.035 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.809 2.008 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.548 3.488 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.835 3.905 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.615 4.566 3.800 1.00 0.00 H new ATOM 1928 N TYR A 118 -5.236 -3.326 5.995 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.493 -4.754 5.935 1.00 0.00 C ATOM 1930 C TYR A 118 -4.642 -5.384 4.840 1.00 0.00 C ATOM 1931 O TYR A 118 -4.670 -4.938 3.692 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.970 -5.021 5.638 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.941 -4.228 6.486 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.337 -4.680 7.739 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.474 -3.032 6.022 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -9.239 -3.962 8.501 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.372 -2.308 6.780 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.752 -2.776 8.017 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.653 -2.061 8.768 1.00 0.00 O ATOM 0 H TYR A 118 -5.833 -2.768 5.385 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.239 -5.192 6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.161 -4.799 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -7.169 -6.083 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.934 -5.606 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.180 -2.662 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.541 -4.328 9.471 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.774 -1.379 6.404 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.914 -1.251 8.282 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.885 -6.405 5.195 1.00 0.00 N ATOM 1950 CA TYR A 119 -3.063 -7.109 4.225 1.00 0.00 C ATOM 1951 C TYR A 119 -3.623 -8.503 3.968 1.00 0.00 C ATOM 1952 O TYR A 119 -3.560 -9.381 4.835 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.611 -7.194 4.707 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.952 -5.842 4.886 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.707 -5.020 3.796 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.575 -5.391 6.145 1.00 0.00 C ATOM 1957 CE1 TYR A 119 -0.105 -3.786 3.954 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.026 -4.157 6.311 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.259 -3.358 5.214 1.00 0.00 C ATOM 1960 OH TYR A 119 0.863 -2.130 5.375 1.00 0.00 O ATOM 0 H TYR A 119 -3.821 -6.766 6.147 1.00 0.00 H new ATOM 0 HA TYR A 119 -3.080 -6.550 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.582 -7.731 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.033 -7.779 3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.991 -5.350 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -0.754 -6.015 7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.080 -3.159 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.312 -3.821 7.297 1.00 0.00 H new ATOM 0 HH TYR A 119 1.794 -2.257 5.652 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.190 -8.692 2.785 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.789 -9.969 2.413 1.00 0.00 C ATOM 1972 C TYR A 120 -3.870 -10.755 1.486 1.00 0.00 C ATOM 1973 O TYR A 120 -3.164 -10.176 0.655 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.139 -9.764 1.718 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.229 -9.191 2.597 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.266 -7.838 2.896 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -8.230 -10.006 3.110 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.268 -7.314 3.688 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -9.239 -9.487 3.898 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.254 -8.140 4.185 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.256 -7.615 4.972 1.00 0.00 O ATOM 0 H TYR A 120 -4.249 -7.975 2.062 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.940 -10.532 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.995 -9.101 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.477 -10.722 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.500 -7.185 2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.219 -11.063 2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.280 -6.259 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.012 -10.134 4.287 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.871 -8.330 5.239 1.00 0.00 H new ATOM 1991 N THR A 121 -3.894 -12.073 1.635 1.00 0.00 N ATOM 1992 CA THR A 121 -3.130 -12.974 0.780 1.00 0.00 C ATOM 1993 C THR A 121 -3.712 -13.001 -0.639 1.00 0.00 C ATOM 1994 O THR A 121 -4.789 -12.453 -0.890 1.00 0.00 O ATOM 1995 CB THR A 121 -3.105 -14.403 1.385 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.542 -15.351 0.467 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.498 -14.849 1.787 1.00 0.00 C ATOM 0 H THR A 121 -4.443 -12.548 2.351 1.00 0.00 H new ATOM 0 HA THR A 121 -2.106 -12.604 0.721 1.00 0.00 H new ATOM 0 HB THR A 121 -2.475 -14.363 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.228 -16.000 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 121 -4.451 -15.853 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.899 -14.162 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.146 -14.853 0.911 1.00 0.00 H new ATOM 2005 N PHE A 122 -2.989 -13.641 -1.555 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.377 -13.720 -2.961 1.00 0.00 C ATOM 2007 C PHE A 122 -4.752 -14.366 -3.125 1.00 0.00 C ATOM 2008 O PHE A 122 -5.543 -13.959 -3.973 1.00 0.00 O ATOM 2009 CB PHE A 122 -2.322 -14.513 -3.745 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.558 -14.549 -5.231 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -2.172 -13.488 -6.033 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.165 -15.646 -5.823 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -2.388 -13.517 -7.396 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -3.383 -15.681 -7.187 1.00 0.00 C ATOM 2015 CZ PHE A 122 -2.993 -14.614 -7.974 1.00 0.00 C ATOM 0 H PHE A 122 -2.115 -14.121 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 122 -3.438 -12.706 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -1.341 -14.078 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.297 -15.535 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.696 -12.627 -5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -3.471 -16.482 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.084 -12.682 -8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.857 -16.541 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.162 -14.639 -9.040 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.034 -15.363 -2.295 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.305 -16.084 -2.361 1.00 0.00 C ATOM 2027 C ASP A 123 -7.399 -15.346 -1.593 1.00 0.00 C ATOM 2028 O ASP A 123 -8.516 -15.845 -1.459 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.145 -17.504 -1.806 1.00 0.00 C ATOM 2030 CG ASP A 123 -5.687 -17.512 -0.363 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -4.500 -17.213 -0.115 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.509 -17.814 0.531 1.00 0.00 O ATOM 0 H ASP A 123 -4.401 -15.693 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.601 -16.141 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.096 -18.031 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.425 -18.050 -2.416 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.061 -14.152 -1.113 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.990 -13.290 -0.377 1.00 0.00 C ATOM 2039 C ASN A 124 -8.319 -13.857 1.000 1.00 0.00 C ATOM 2040 O ASN A 124 -9.232 -14.670 1.164 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.275 -13.018 -1.171 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.017 -12.215 -2.436 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -8.989 -10.984 -2.411 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -8.832 -12.905 -3.549 1.00 0.00 N ATOM 0 H ASN A 124 -6.130 -13.750 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.480 -12.337 -0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.743 -13.966 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.981 -12.479 -0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.659 -12.418 -4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -8.863 -13.924 -3.528 1.00 0.00 H new ATOM 2051 N SER A 125 -7.540 -13.428 1.979 1.00 0.00 N ATOM 2052 CA SER A 125 -7.735 -13.795 3.373 1.00 0.00 C ATOM 2053 C SER A 125 -6.863 -12.883 4.227 1.00 0.00 C ATOM 2054 O SER A 125 -5.764 -12.508 3.805 1.00 0.00 O ATOM 2055 CB SER A 125 -7.378 -15.270 3.605 1.00 0.00 C ATOM 2056 OG SER A 125 -7.737 -15.690 4.910 1.00 0.00 O ATOM 0 H SER A 125 -6.745 -12.808 1.827 1.00 0.00 H new ATOM 0 HA SER A 125 -8.783 -13.672 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.889 -15.890 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.308 -15.415 3.456 1.00 0.00 H new ATOM 0 HG SER A 125 -7.499 -16.633 5.027 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.348 -12.502 5.400 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.655 -11.519 6.220 1.00 0.00 C ATOM 2064 C LEU A 126 -5.428 -12.129 6.880 1.00 0.00 C ATOM 2065 O LEU A 126 -5.530 -13.083 7.647 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.590 -10.945 7.284 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.994 -9.815 8.128 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.638 -8.628 7.248 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.962 -9.395 9.224 1.00 0.00 C ATOM 0 H LEU A 126 -8.215 -12.857 5.804 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.330 -10.710 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.491 -10.576 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.897 -11.752 7.949 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.083 -10.182 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.216 -7.833 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.907 -8.936 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.536 -8.263 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.519 -8.591 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.892 -9.046 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.170 -10.247 9.872 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.266 -11.579 6.562 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.022 -12.051 7.143 1.00 0.00 C ATOM 2083 C LEU A 127 -2.561 -11.112 8.247 1.00 0.00 C ATOM 2084 O LEU A 127 -2.360 -11.526 9.386 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.935 -12.161 6.071 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.240 -13.115 4.916 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -1.078 -13.151 3.940 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.534 -14.511 5.443 1.00 0.00 C ATOM 0 H LEU A 127 -4.160 -10.806 5.905 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.200 -13.039 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.753 -11.168 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.010 -12.482 6.549 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.123 -12.752 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.310 -13.834 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.908 -12.152 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.180 -13.493 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.749 -15.177 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.668 -14.883 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.396 -14.474 6.109 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.407 -9.844 7.909 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.889 -8.872 8.853 1.00 0.00 C ATOM 2102 C PHE A 128 -2.720 -7.599 8.800 1.00 0.00 C ATOM 2103 O PHE A 128 -3.355 -7.308 7.787 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.420 -8.571 8.527 1.00 0.00 C ATOM 2105 CG PHE A 128 0.350 -7.949 9.660 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.957 -8.751 10.615 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.480 -6.574 9.767 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.678 -8.194 11.654 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.198 -6.009 10.807 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.798 -6.822 11.750 1.00 0.00 C ATOM 0 H PHE A 128 -2.633 -9.465 6.990 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.950 -9.280 9.862 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.073 -9.498 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.380 -7.903 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.865 -9.825 10.546 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.016 -5.935 9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.147 -8.831 12.390 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.289 -4.935 10.881 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.360 -6.384 12.561 1.00 0.00 H new ATOM 2120 N THR A 129 -2.736 -6.859 9.893 1.00 0.00 N ATOM 2121 CA THR A 129 -3.431 -5.590 9.939 1.00 0.00 C ATOM 2122 C THR A 129 -2.593 -4.560 10.682 1.00 0.00 C ATOM 2123 O THR A 129 -2.488 -4.593 11.910 1.00 0.00 O ATOM 2124 CB THR A 129 -4.808 -5.724 10.614 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.561 -6.755 9.962 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.582 -4.413 10.551 1.00 0.00 C ATOM 0 H THR A 129 -2.273 -7.118 10.764 1.00 0.00 H new ATOM 0 HA THR A 129 -3.587 -5.261 8.912 1.00 0.00 H new ATOM 0 HB THR A 129 -4.652 -5.980 11.662 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.487 -6.736 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.550 -4.538 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.018 -3.633 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.732 -4.129 9.509 1.00 0.00 H new ATOM 2134 N GLU A 130 -1.968 -3.672 9.929 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.159 -2.615 10.510 1.00 0.00 C ATOM 2136 C GLU A 130 -1.996 -1.353 10.653 1.00 0.00 C ATOM 2137 O GLU A 130 -2.374 -0.731 9.660 1.00 0.00 O ATOM 2138 CB GLU A 130 0.074 -2.330 9.637 1.00 0.00 C ATOM 2139 CG GLU A 130 0.985 -1.237 10.192 1.00 0.00 C ATOM 2140 CD GLU A 130 1.800 -1.690 11.392 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.207 -2.191 12.366 1.00 0.00 O ATOM 2142 OE2 GLU A 130 3.044 -1.530 11.367 1.00 0.00 O ATOM 0 H GLU A 130 -2.006 -3.662 8.910 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.816 -2.938 11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.650 -3.249 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.258 -2.041 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.662 -0.903 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.379 -0.377 10.476 1.00 0.00 H new ATOM 2149 N SER A 131 -2.322 -0.996 11.880 1.00 0.00 N ATOM 2150 CA SER A 131 -3.058 0.229 12.117 1.00 0.00 C ATOM 2151 C SER A 131 -2.079 1.391 12.130 1.00 0.00 C ATOM 2152 O SER A 131 -1.108 1.388 12.890 1.00 0.00 O ATOM 2153 CB SER A 131 -3.835 0.150 13.435 1.00 0.00 C ATOM 2154 OG SER A 131 -4.771 1.214 13.554 1.00 0.00 O ATOM 0 H SER A 131 -2.092 -1.530 12.718 1.00 0.00 H new ATOM 0 HA SER A 131 -3.787 0.379 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.358 -0.804 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.138 0.183 14.272 1.00 0.00 H new ATOM 0 HG SER A 131 -4.903 1.633 12.678 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.315 2.370 11.268 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.419 3.505 11.152 1.00 0.00 C ATOM 2162 C ILE A 132 -1.586 4.457 12.333 1.00 0.00 C ATOM 2163 O ILE A 132 -2.225 5.507 12.239 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.584 4.247 9.807 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.063 4.330 9.402 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.770 3.547 8.726 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.296 5.050 8.089 1.00 0.00 C ATOM 0 H ILE A 132 -3.119 2.399 10.641 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.402 3.113 11.172 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.214 5.265 9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.468 3.321 9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.618 4.840 10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -0.891 4.075 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.283 3.544 9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.119 2.520 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.363 5.069 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.922 6.071 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.770 4.528 7.290 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.031 4.027 13.457 1.00 0.00 N ATOM 2180 CA GLN A 133 -1.030 4.779 14.695 1.00 0.00 C ATOM 2181 C GLN A 133 -0.031 4.110 15.635 1.00 0.00 C ATOM 2182 O GLN A 133 1.028 4.662 15.930 1.00 0.00 O ATOM 2183 CB GLN A 133 -2.431 4.791 15.313 1.00 0.00 C ATOM 2184 CG GLN A 133 -2.577 5.752 16.479 1.00 0.00 C ATOM 2185 CD GLN A 133 -2.334 7.199 16.086 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -2.625 7.533 14.838 1.00 0.00 O flip ATOM 2187 NE2 GLN A 133 -1.889 8.009 16.897 1.00 0.00 N flip ATOM 0 H GLN A 133 -0.560 3.125 13.531 1.00 0.00 H new ATOM 0 HA GLN A 133 -0.745 5.816 14.515 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -3.156 5.056 14.543 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -2.678 3.784 15.651 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -3.579 5.658 16.898 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -1.876 5.471 17.265 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -1.677 7.713 17.850 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.732 8.977 16.617 1.00 0.00 H new