USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1035 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 89 LYS NZ :NH3+ 163:sc= -0.212! (180deg=-1.45) USER MOD Set 1.2: A 116 GLN : amide:sc= -1.13 K(o=-1.3,f=-9.9!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ -171:sc= 0.518 (180deg=0.163) USER MOD Set 2.2: A 102 CYS SG : rot -13:sc= -0.48 USER MOD Set 3.1: A 17 ASN : amide:sc= -1.66 K(o=0.36,f=-4.1!) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 170:sc= 2.02 (180deg=1.88) USER MOD Set 4.1: A 1 MET N :NH3+ -160:sc= 0.933 (180deg=-0.00757) USER MOD Set 4.2: A 3 SER OG : rot -160:sc= 0.818 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 8 HIS : no HE2:sc= 0.111! C(o=0.11!,f=-6.7!) USER MOD Single : A 9 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-3.2!) USER MOD Single : A 10 HIS : +bothHN:sc= 0.711 K(o=0.71,f=-8!) USER MOD Single : A 11 SER OG : rot 168:sc= 0.443 USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.94) USER MOD Single : A 22 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.44) USER MOD Single : A 23 SER OG : rot -61:sc= 1.16 USER MOD Single : A 24 SER OG : rot 180:sc= 0.262 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0.663 (180deg=0.639) USER MOD Single : A 37 HIS : no HD1:sc= -4.01! C(o=-4!,f=-3.8!) USER MOD Single : A 38 CYS SG : rot -91:sc= -8.03! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -5.58! C(o=-13!,f=-5.6!) USER MOD Single : A 64 MET CE :methyl -160:sc= -7.83! (180deg=-9.14!) USER MOD Single : A 65 ASN : amide:sc= -13.4! C(o=-13!,f=-13!) USER MOD Single : A 67 SER OG : rot -34:sc= 0.399 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0.619 (180deg=0.57) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -4.99! C(o=-7.2!,f=-5!) USER MOD Single : A 73 SER OG : rot 137:sc= 0.971 USER MOD Single : A 78 TYR OH : rot -74:sc= 0.453 USER MOD Single : A 79 THR OG1 : rot 90:sc= -1.26 USER MOD Single : A 80 SER OG : rot 65:sc= 1.29 USER MOD Single : A 81 SER OG : rot 79:sc= -1.54! USER MOD Single : A 84 TYR OH : rot -63:sc= 0.0661 USER MOD Single : A 86 TYR OH : rot -112:sc= 1.2 USER MOD Single : A 93 THR OG1 : rot -151:sc= 2 USER MOD Single : A 100 ASN : amide:sc= 1.15 K(o=1.1,f=-0.47) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0365 F(o=-1.2!,f=-0.037) USER MOD Single : A 109 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 115 LYS NZ :NH3+ -111:sc= 1.11 (180deg=-0.104) USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= 1.15 (180deg=1.07) USER MOD Single : A 125 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.3) USER MOD Single : A 127 GLN : amide:sc= 0.543 K(o=0.54,f=-2.4!) USER MOD Single : A 131 GLN : amide:sc= -0.073 K(o=-0.073,f=-3.6!) USER MOD Single : A 132 GLN : amide:sc= -0.466 K(o=-0.47,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.218 -2.864 32.765 1.00 0.00 N ATOM 2 CA MET A 1 5.179 -2.083 32.072 1.00 0.00 C ATOM 3 C MET A 1 5.853 -0.913 31.443 1.00 0.00 C ATOM 4 O MET A 1 6.773 -0.377 32.041 1.00 0.00 O ATOM 5 CB MET A 1 4.090 -1.597 33.046 1.00 0.00 C ATOM 6 CG MET A 1 3.378 -2.714 33.787 1.00 0.00 C ATOM 7 SD MET A 1 2.795 -3.990 32.667 1.00 0.00 S ATOM 8 CE MET A 1 1.935 -5.084 33.806 1.00 0.00 C ATOM 0 H1 MET A 1 5.876 -3.834 32.923 1.00 0.00 H new ATOM 0 H2 MET A 1 7.079 -2.891 32.182 1.00 0.00 H new ATOM 0 H3 MET A 1 6.433 -2.420 33.680 1.00 0.00 H new ATOM 0 HA MET A 1 4.686 -2.708 31.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.543 -0.924 33.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.353 -1.017 32.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.055 -3.154 34.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.534 -2.303 34.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.517 -5.927 33.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.635 -5.452 34.556 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.130 -4.537 34.298 1.00 0.00 H new ATOM 20 N GLY A 2 5.441 -0.548 30.223 1.00 0.00 N ATOM 21 CA GLY A 2 6.113 0.535 29.493 1.00 0.00 C ATOM 22 C GLY A 2 7.529 0.128 29.132 1.00 0.00 C ATOM 23 O GLY A 2 8.395 0.951 28.878 1.00 0.00 O ATOM 0 H GLY A 2 4.660 -0.977 29.727 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.554 0.774 28.588 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.131 1.438 30.104 1.00 0.00 H new ATOM 27 N SER A 3 7.730 -1.158 29.091 1.00 0.00 N ATOM 28 CA SER A 3 9.006 -1.736 28.902 1.00 0.00 C ATOM 29 C SER A 3 9.267 -1.923 27.413 1.00 0.00 C ATOM 30 O SER A 3 8.752 -2.858 26.800 1.00 0.00 O ATOM 31 CB SER A 3 9.025 -3.059 29.670 1.00 0.00 C ATOM 32 OG SER A 3 8.536 -2.839 31.021 1.00 0.00 O ATOM 0 H SER A 3 6.981 -1.843 29.192 1.00 0.00 H new ATOM 0 HA SER A 3 9.802 -1.095 29.281 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.403 -3.796 29.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.038 -3.461 29.699 1.00 0.00 H new ATOM 0 HG SER A 3 8.833 -3.572 31.600 1.00 0.00 H new ATOM 38 N SER A 4 10.005 -0.963 26.842 1.00 0.00 N ATOM 39 CA SER A 4 10.347 -0.935 25.424 1.00 0.00 C ATOM 40 C SER A 4 9.089 -0.662 24.560 1.00 0.00 C ATOM 41 O SER A 4 8.028 -0.306 25.078 1.00 0.00 O ATOM 42 CB SER A 4 11.050 -2.247 25.006 1.00 0.00 C ATOM 43 OG SER A 4 12.194 -2.476 25.807 1.00 0.00 O ATOM 0 H SER A 4 10.385 -0.174 27.365 1.00 0.00 H new ATOM 0 HA SER A 4 11.046 -0.117 25.253 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.358 -3.084 25.103 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.339 -2.193 23.956 1.00 0.00 H new ATOM 0 HG SER A 4 12.625 -3.311 25.530 1.00 0.00 H new ATOM 49 N HIS A 5 9.238 -0.726 23.247 1.00 0.00 N ATOM 50 CA HIS A 5 8.092 -0.576 22.334 1.00 0.00 C ATOM 51 C HIS A 5 8.144 -1.659 21.275 1.00 0.00 C ATOM 52 O HIS A 5 7.491 -1.583 20.243 1.00 0.00 O ATOM 53 CB HIS A 5 8.027 0.838 21.711 1.00 0.00 C ATOM 54 CG HIS A 5 7.643 1.913 22.698 1.00 0.00 C ATOM 55 ND1 HIS A 5 8.463 2.978 23.034 1.00 0.00 N ATOM 56 CD2 HIS A 5 6.504 2.084 23.422 1.00 0.00 C ATOM 57 CE1 HIS A 5 7.847 3.745 23.918 1.00 0.00 C ATOM 58 NE2 HIS A 5 6.662 3.227 24.169 1.00 0.00 N ATOM 0 H HIS A 5 10.132 -0.880 22.781 1.00 0.00 H new ATOM 0 HA HIS A 5 7.173 -0.693 22.909 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.998 1.082 21.280 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.307 0.833 20.893 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.636 1.441 23.412 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.248 4.645 24.360 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.972 3.612 24.814 1.00 0.00 H new ATOM 67 N HIS A 6 8.980 -2.639 21.570 1.00 0.00 N ATOM 68 CA HIS A 6 9.218 -3.881 20.831 1.00 0.00 C ATOM 69 C HIS A 6 10.528 -4.420 21.318 1.00 0.00 C ATOM 70 O HIS A 6 11.508 -3.694 21.325 1.00 0.00 O ATOM 71 CB HIS A 6 9.194 -3.772 19.248 1.00 0.00 C ATOM 72 CG HIS A 6 10.130 -2.779 18.567 1.00 0.00 C ATOM 73 ND1 HIS A 6 9.670 -1.634 17.946 1.00 0.00 N ATOM 74 CD2 HIS A 6 11.470 -2.815 18.324 1.00 0.00 C ATOM 75 CE1 HIS A 6 10.677 -1.015 17.352 1.00 0.00 C ATOM 76 NE2 HIS A 6 11.778 -1.709 17.566 1.00 0.00 N ATOM 0 H HIS A 6 9.564 -2.588 22.405 1.00 0.00 H new ATOM 0 HA HIS A 6 8.381 -4.550 21.033 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.412 -4.761 18.845 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.175 -3.524 18.949 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.162 -3.571 18.663 1.00 0.00 H new ATOM 0 HE1 HIS A 6 10.609 -0.097 16.787 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.708 -1.465 17.225 1.00 0.00 H new ATOM 85 N HIS A 7 10.543 -5.661 21.784 1.00 0.00 N ATOM 86 CA HIS A 7 11.780 -6.255 22.313 1.00 0.00 C ATOM 87 C HIS A 7 12.799 -6.443 21.191 1.00 0.00 C ATOM 88 O HIS A 7 13.999 -6.486 21.428 1.00 0.00 O ATOM 89 CB HIS A 7 11.502 -7.588 23.041 1.00 0.00 C ATOM 90 CG HIS A 7 12.713 -8.167 23.732 1.00 0.00 C ATOM 91 ND1 HIS A 7 13.284 -9.380 23.385 1.00 0.00 N ATOM 92 CD2 HIS A 7 13.456 -7.690 24.764 1.00 0.00 C ATOM 93 CE1 HIS A 7 14.321 -9.616 24.171 1.00 0.00 C ATOM 94 NE2 HIS A 7 14.447 -8.608 25.013 1.00 0.00 N ATOM 0 H HIS A 7 9.729 -6.275 21.810 1.00 0.00 H new ATOM 0 HA HIS A 7 12.198 -5.567 23.048 1.00 0.00 H new ATOM 0 HB2 HIS A 7 10.714 -7.432 23.778 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.125 -8.313 22.320 1.00 0.00 H new ATOM 0 HD2 HIS A 7 13.297 -6.761 25.291 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.958 -10.487 24.131 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.165 -8.524 25.733 1.00 0.00 H new ATOM 103 N HIS A 8 12.294 -6.595 19.993 1.00 0.00 N ATOM 104 CA HIS A 8 13.091 -6.646 18.802 1.00 0.00 C ATOM 105 C HIS A 8 12.103 -6.536 17.671 1.00 0.00 C ATOM 106 O HIS A 8 10.946 -6.882 17.876 1.00 0.00 O ATOM 107 CB HIS A 8 13.881 -7.966 18.694 1.00 0.00 C ATOM 108 CG HIS A 8 15.141 -7.850 17.874 1.00 0.00 C ATOM 109 ND1 HIS A 8 15.195 -8.018 16.519 1.00 0.00 N ATOM 110 CD2 HIS A 8 16.414 -7.576 18.257 1.00 0.00 C ATOM 111 CE1 HIS A 8 16.429 -7.863 16.095 1.00 0.00 C ATOM 112 NE2 HIS A 8 17.192 -7.591 17.130 1.00 0.00 N ATOM 0 H HIS A 8 11.293 -6.689 19.819 1.00 0.00 H new ATOM 0 HA HIS A 8 13.836 -5.850 18.792 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.140 -8.308 19.696 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.239 -8.729 18.253 1.00 0.00 H new ATOM 0 HD1 HIS A 8 14.395 -8.232 15.924 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.751 -7.382 19.265 1.00 0.00 H new ATOM 0 HE1 HIS A 8 16.760 -7.945 15.070 1.00 0.00 H new ATOM 121 N HIS A 9 12.533 -5.940 16.583 1.00 0.00 N ATOM 122 CA HIS A 9 11.813 -5.751 15.303 1.00 0.00 C ATOM 123 C HIS A 9 12.611 -4.739 14.552 1.00 0.00 C ATOM 124 O HIS A 9 13.539 -4.148 15.132 1.00 0.00 O ATOM 125 CB HIS A 9 10.344 -5.223 15.425 1.00 0.00 C ATOM 126 CG HIS A 9 9.260 -6.280 15.525 1.00 0.00 C ATOM 127 ND1 HIS A 9 7.952 -5.981 15.856 1.00 0.00 N ATOM 128 CD2 HIS A 9 9.298 -7.628 15.359 1.00 0.00 C ATOM 129 CE1 HIS A 9 7.247 -7.097 15.900 1.00 0.00 C ATOM 130 NE2 HIS A 9 8.033 -8.103 15.601 1.00 0.00 N ATOM 0 H HIS A 9 13.469 -5.535 16.547 1.00 0.00 H new ATOM 0 HA HIS A 9 11.722 -6.725 14.822 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.282 -4.583 16.305 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.132 -4.595 14.559 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.162 -8.216 15.087 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.197 -7.169 16.142 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.750 -9.082 15.556 1.00 0.00 H new ATOM 139 N HIS A 10 12.285 -4.523 13.320 1.00 0.00 N ATOM 140 CA HIS A 10 12.945 -3.513 12.505 1.00 0.00 C ATOM 141 C HIS A 10 12.057 -2.291 12.542 1.00 0.00 C ATOM 142 O HIS A 10 12.504 -1.165 12.713 1.00 0.00 O ATOM 143 CB HIS A 10 13.157 -4.017 11.041 1.00 0.00 C ATOM 144 CG HIS A 10 14.010 -5.264 10.950 1.00 0.00 C ATOM 145 ND1 HIS A 10 14.206 -5.999 9.800 1.00 0.00 N ATOM 146 CD2 HIS A 10 14.696 -5.913 11.909 1.00 0.00 C ATOM 147 CE1 HIS A 10 14.960 -7.039 10.073 1.00 0.00 C ATOM 148 NE2 HIS A 10 15.272 -7.007 11.352 1.00 0.00 N ATOM 0 H HIS A 10 11.551 -5.037 12.832 1.00 0.00 H new ATOM 0 HA HIS A 10 13.938 -3.285 12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.185 -4.217 10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.623 -3.224 10.456 1.00 0.00 H new ATOM 0 HD1 HIS A 10 13.825 -5.771 8.882 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.774 -5.614 12.944 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.272 -7.794 9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.850 -7.690 11.841 1.00 0.00 H new ATOM 157 N SER A 11 10.796 -2.565 12.466 1.00 0.00 N ATOM 158 CA SER A 11 9.755 -1.612 12.545 1.00 0.00 C ATOM 159 C SER A 11 8.659 -2.200 13.323 1.00 0.00 C ATOM 160 O SER A 11 8.721 -2.302 14.575 1.00 0.00 O ATOM 161 CB SER A 11 9.331 -1.167 11.119 1.00 0.00 C ATOM 162 OG SER A 11 8.978 -2.290 10.316 1.00 0.00 O ATOM 0 H SER A 11 10.453 -3.517 12.340 1.00 0.00 H new ATOM 0 HA SER A 11 10.081 -0.706 13.055 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.485 -0.482 11.185 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.148 -0.621 10.647 1.00 0.00 H new ATOM 0 HG SER A 11 8.539 -1.981 9.496 1.00 0.00 H new ATOM 168 N GLN A 12 7.730 -2.634 12.631 1.00 0.00 N ATOM 169 CA GLN A 12 6.512 -3.132 13.121 1.00 0.00 C ATOM 170 C GLN A 12 6.121 -4.229 12.179 1.00 0.00 C ATOM 171 O GLN A 12 4.985 -4.388 11.791 1.00 0.00 O ATOM 172 CB GLN A 12 5.519 -1.992 13.129 1.00 0.00 C ATOM 173 CG GLN A 12 6.031 -0.762 13.912 1.00 0.00 C ATOM 174 CD GLN A 12 5.080 0.405 13.881 1.00 0.00 C ATOM 175 OE1 GLN A 12 5.184 1.222 12.878 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 4.238 0.550 14.747 1.00 0.00 N flip ATOM 0 H GLN A 12 7.783 -2.663 11.613 1.00 0.00 H new ATOM 0 HA GLN A 12 6.565 -3.525 14.136 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.300 -1.699 12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.582 -2.334 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.209 -1.049 14.948 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.990 -0.451 13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.184 -0.111 15.522 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.586 1.333 14.698 1.00 0.00 H new ATOM 185 N ASP A 13 7.149 -4.932 11.812 1.00 0.00 N ATOM 186 CA ASP A 13 7.175 -6.060 11.007 1.00 0.00 C ATOM 187 C ASP A 13 6.738 -7.262 11.845 1.00 0.00 C ATOM 188 O ASP A 13 6.618 -7.134 13.052 1.00 0.00 O ATOM 189 CB ASP A 13 8.628 -6.212 10.612 1.00 0.00 C ATOM 190 CG ASP A 13 9.574 -6.261 11.801 1.00 0.00 C ATOM 191 OD1 ASP A 13 9.932 -5.174 12.326 1.00 0.00 O ATOM 192 OD2 ASP A 13 9.950 -7.364 12.244 1.00 0.00 O ATOM 0 H ASP A 13 8.087 -4.677 12.120 1.00 0.00 H new ATOM 0 HA ASP A 13 6.519 -5.987 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.744 -7.124 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.910 -5.381 9.966 1.00 0.00 H new ATOM 197 N PRO A 14 6.549 -8.451 11.244 1.00 0.00 N ATOM 198 CA PRO A 14 6.043 -9.598 11.977 1.00 0.00 C ATOM 199 C PRO A 14 7.099 -10.232 12.870 1.00 0.00 C ATOM 200 O PRO A 14 7.085 -10.087 14.091 1.00 0.00 O ATOM 201 CB PRO A 14 5.601 -10.586 10.870 1.00 0.00 C ATOM 202 CG PRO A 14 5.820 -9.869 9.573 1.00 0.00 C ATOM 203 CD PRO A 14 6.812 -8.782 9.848 1.00 0.00 C ATOM 0 HA PRO A 14 5.235 -9.315 12.652 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.184 -11.506 10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.554 -10.866 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.195 -10.552 8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.885 -9.454 9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.837 -9.122 9.699 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.663 -7.923 9.194 1.00 0.00 H new ATOM 211 N MET A 15 8.040 -10.903 12.252 1.00 0.00 N ATOM 212 CA MET A 15 9.055 -11.588 12.903 1.00 0.00 C ATOM 213 C MET A 15 10.329 -11.362 12.146 1.00 0.00 C ATOM 214 O MET A 15 10.831 -12.282 11.486 1.00 0.00 O ATOM 215 CB MET A 15 8.742 -13.079 12.972 1.00 0.00 C ATOM 216 CG MET A 15 7.511 -13.425 13.673 1.00 0.00 C ATOM 217 SD MET A 15 7.590 -13.218 15.461 1.00 0.00 S ATOM 218 CE MET A 15 5.906 -13.621 15.917 1.00 0.00 C ATOM 0 H MET A 15 8.094 -10.970 11.236 1.00 0.00 H new ATOM 0 HA MET A 15 9.151 -11.222 13.925 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.684 -13.469 11.956 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.574 -13.586 13.461 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.700 -12.809 13.284 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.259 -14.462 13.450 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.792 -13.539 16.998 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.221 -12.930 15.427 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.678 -14.640 15.604 1.00 0.00 H new ATOM 228 N GLU A 16 10.731 -10.096 12.081 1.00 0.00 N ATOM 229 CA GLU A 16 12.011 -9.641 11.492 1.00 0.00 C ATOM 230 C GLU A 16 11.996 -9.621 9.967 1.00 0.00 C ATOM 231 O GLU A 16 12.377 -8.631 9.362 1.00 0.00 O ATOM 232 CB GLU A 16 13.204 -10.496 11.974 1.00 0.00 C ATOM 233 CG GLU A 16 13.497 -10.432 13.460 1.00 0.00 C ATOM 234 CD GLU A 16 13.971 -9.080 13.898 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.331 -8.451 14.770 1.00 0.00 O ATOM 236 OE2 GLU A 16 15.026 -8.622 13.413 1.00 0.00 O ATOM 0 H GLU A 16 10.167 -9.327 12.444 1.00 0.00 H new ATOM 0 HA GLU A 16 12.134 -8.616 11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.016 -11.535 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.096 -10.182 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.597 -10.694 14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.253 -11.176 13.709 1.00 0.00 H new ATOM 243 N ASN A 17 11.520 -10.722 9.382 1.00 0.00 N ATOM 244 CA ASN A 17 11.612 -11.012 7.959 1.00 0.00 C ATOM 245 C ASN A 17 13.061 -11.155 7.624 1.00 0.00 C ATOM 246 O ASN A 17 13.764 -10.222 7.250 1.00 0.00 O ATOM 247 CB ASN A 17 10.953 -9.992 7.077 1.00 0.00 C ATOM 248 CG ASN A 17 11.125 -10.253 5.564 1.00 0.00 C ATOM 249 OD1 ASN A 17 12.071 -9.771 4.942 1.00 0.00 O ATOM 250 ND2 ASN A 17 10.231 -11.004 4.964 1.00 0.00 N ATOM 0 H ASN A 17 11.046 -11.457 9.907 1.00 0.00 H new ATOM 0 HA ASN A 17 11.062 -11.933 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.889 -9.961 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.359 -9.008 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.314 -11.197 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.454 -11.395 5.496 1.00 0.00 H new ATOM 257 N GLN A 18 13.512 -12.280 7.935 1.00 0.00 N ATOM 258 CA GLN A 18 14.827 -12.681 7.727 1.00 0.00 C ATOM 259 C GLN A 18 15.101 -12.981 6.234 1.00 0.00 C ATOM 260 O GLN A 18 15.936 -12.311 5.633 1.00 0.00 O ATOM 261 CB GLN A 18 15.107 -13.830 8.658 1.00 0.00 C ATOM 262 CG GLN A 18 15.707 -13.444 9.987 1.00 0.00 C ATOM 263 CD GLN A 18 17.010 -12.674 9.843 1.00 0.00 C ATOM 264 OE1 GLN A 18 17.019 -11.458 9.758 1.00 0.00 O ATOM 265 NE2 GLN A 18 18.112 -13.377 9.813 1.00 0.00 N ATOM 0 H GLN A 18 12.938 -13.000 8.373 1.00 0.00 H new ATOM 0 HA GLN A 18 15.526 -11.879 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.175 -14.366 8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.783 -14.525 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.991 -12.837 10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.885 -14.344 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.071 -14.394 9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.013 -12.909 9.716 1.00 0.00 H new ATOM 274 N PRO A 19 14.474 -14.008 5.605 1.00 0.00 N ATOM 275 CA PRO A 19 14.550 -14.151 4.164 1.00 0.00 C ATOM 276 C PRO A 19 13.777 -13.056 3.438 1.00 0.00 C ATOM 277 O PRO A 19 12.619 -12.802 3.708 1.00 0.00 O ATOM 278 CB PRO A 19 13.960 -15.525 3.867 1.00 0.00 C ATOM 279 CG PRO A 19 13.940 -16.232 5.162 1.00 0.00 C ATOM 280 CD PRO A 19 13.800 -15.167 6.204 1.00 0.00 C ATOM 0 HA PRO A 19 15.578 -14.059 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.956 -15.440 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.564 -16.062 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.111 -16.938 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.855 -16.805 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.753 -14.954 6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.267 -15.461 7.144 1.00 0.00 H new ATOM 288 N LYS A 20 14.501 -12.401 2.576 1.00 0.00 N ATOM 289 CA LYS A 20 14.123 -11.360 1.777 1.00 0.00 C ATOM 290 C LYS A 20 13.005 -11.548 0.772 1.00 0.00 C ATOM 291 O LYS A 20 12.214 -12.464 0.811 1.00 0.00 O ATOM 292 CB LYS A 20 15.372 -10.870 1.171 1.00 0.00 C ATOM 293 CG LYS A 20 16.386 -10.368 2.206 1.00 0.00 C ATOM 294 CD LYS A 20 15.797 -9.255 3.084 1.00 0.00 C ATOM 295 CE LYS A 20 15.106 -9.735 4.385 1.00 0.00 C ATOM 296 NZ LYS A 20 14.695 -8.618 5.318 1.00 0.00 N ATOM 0 H LYS A 20 15.481 -12.644 2.430 1.00 0.00 H new ATOM 0 HA LYS A 20 13.617 -10.637 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.824 -11.672 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.140 -10.062 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.704 -11.198 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.274 -9.997 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.596 -8.563 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.073 -8.693 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.222 -10.316 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.782 -10.406 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.095 -9.002 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.543 -8.184 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.164 -7.899 4.786 1.00 0.00 H new ATOM 310 N LEU A 21 12.990 -10.576 -0.094 1.00 0.00 N ATOM 311 CA LEU A 21 11.947 -10.190 -0.931 1.00 0.00 C ATOM 312 C LEU A 21 11.546 -11.179 -1.960 1.00 0.00 C ATOM 313 O LEU A 21 10.382 -11.602 -2.001 1.00 0.00 O ATOM 314 CB LEU A 21 12.408 -8.883 -1.501 1.00 0.00 C ATOM 315 CG LEU A 21 12.965 -7.846 -0.576 1.00 0.00 C ATOM 316 CD1 LEU A 21 12.480 -6.623 -0.935 1.00 0.00 C ATOM 317 CD2 LEU A 21 12.593 -7.997 0.765 1.00 0.00 C ATOM 0 H LEU A 21 13.811 -9.985 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 21 11.016 -10.104 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.170 -9.100 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.564 -8.437 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 21 14.047 -7.951 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.881 -5.862 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.779 -6.400 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.392 -6.629 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.043 -7.202 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.508 -7.944 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.938 -8.964 1.132 1.00 0.00 H new ATOM 329 N ASN A 22 12.461 -11.452 -2.852 1.00 0.00 N ATOM 330 CA ASN A 22 12.370 -12.519 -3.794 1.00 0.00 C ATOM 331 C ASN A 22 11.228 -12.309 -4.776 1.00 0.00 C ATOM 332 O ASN A 22 10.661 -13.249 -5.306 1.00 0.00 O ATOM 333 CB ASN A 22 12.269 -13.747 -2.982 1.00 0.00 C ATOM 334 CG ASN A 22 13.430 -13.896 -2.105 1.00 0.00 C ATOM 335 OD1 ASN A 22 14.563 -13.570 -2.447 1.00 0.00 O ATOM 336 ND2 ASN A 22 13.165 -14.270 -0.953 1.00 0.00 N ATOM 0 H ASN A 22 13.322 -10.911 -2.940 1.00 0.00 H new ATOM 0 HA ASN A 22 13.242 -12.581 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.359 -13.717 -2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.191 -14.614 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.902 -14.315 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.210 -14.532 -0.709 1.00 0.00 H new ATOM 343 N SER A 23 10.898 -11.029 -4.937 1.00 0.00 N ATOM 344 CA SER A 23 10.078 -10.455 -6.035 1.00 0.00 C ATOM 345 C SER A 23 8.602 -10.099 -5.782 1.00 0.00 C ATOM 346 O SER A 23 7.946 -9.561 -6.696 1.00 0.00 O ATOM 347 CB SER A 23 10.341 -11.050 -7.460 1.00 0.00 C ATOM 348 OG SER A 23 9.871 -12.381 -7.598 1.00 0.00 O ATOM 0 H SER A 23 11.205 -10.315 -4.277 1.00 0.00 H new ATOM 0 HA SER A 23 10.523 -9.460 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.857 -10.420 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.411 -11.025 -7.667 1.00 0.00 H new ATOM 0 HG SER A 23 10.334 -12.960 -6.957 1.00 0.00 H new ATOM 354 N SER A 24 8.069 -10.324 -4.592 1.00 0.00 N ATOM 355 CA SER A 24 6.700 -9.862 -4.353 1.00 0.00 C ATOM 356 C SER A 24 6.311 -9.742 -2.879 1.00 0.00 C ATOM 357 O SER A 24 6.509 -8.713 -2.259 1.00 0.00 O ATOM 358 CB SER A 24 5.677 -10.697 -5.146 1.00 0.00 C ATOM 359 OG SER A 24 5.848 -12.091 -4.879 1.00 0.00 O ATOM 0 H SER A 24 8.527 -10.796 -3.812 1.00 0.00 H new ATOM 0 HA SER A 24 6.679 -8.839 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.665 -10.392 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.795 -10.509 -6.213 1.00 0.00 H new ATOM 0 HG SER A 24 5.189 -12.605 -5.390 1.00 0.00 H new ATOM 365 N LYS A 25 5.818 -10.809 -2.329 1.00 0.00 N ATOM 366 CA LYS A 25 5.276 -10.880 -1.058 1.00 0.00 C ATOM 367 C LYS A 25 6.178 -10.375 0.005 1.00 0.00 C ATOM 368 O LYS A 25 5.849 -9.418 0.710 1.00 0.00 O ATOM 369 CB LYS A 25 5.049 -12.304 -0.877 1.00 0.00 C ATOM 370 CG LYS A 25 4.494 -12.639 0.383 1.00 0.00 C ATOM 371 CD LYS A 25 3.322 -11.827 0.704 1.00 0.00 C ATOM 372 CE LYS A 25 2.637 -12.357 1.872 1.00 0.00 C ATOM 373 NZ LYS A 25 3.509 -12.374 3.101 1.00 0.00 N ATOM 0 H LYS A 25 5.795 -11.705 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 25 4.384 -10.259 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.383 -12.659 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.995 -12.832 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.216 -13.693 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.249 -12.506 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.626 -10.797 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.641 -11.809 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.749 -11.757 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.296 -13.370 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.014 -12.868 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.399 -12.868 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.716 -11.398 3.393 1.00 0.00 H new ATOM 387 N GLU A 26 7.284 -10.994 0.116 1.00 0.00 N ATOM 388 CA GLU A 26 8.183 -10.641 1.149 1.00 0.00 C ATOM 389 C GLU A 26 8.917 -9.313 0.895 1.00 0.00 C ATOM 390 O GLU A 26 9.773 -8.918 1.654 1.00 0.00 O ATOM 391 CB GLU A 26 9.095 -11.789 1.553 1.00 0.00 C ATOM 392 CG GLU A 26 8.322 -12.995 2.108 1.00 0.00 C ATOM 393 CD GLU A 26 7.325 -12.616 3.214 1.00 0.00 C ATOM 394 OE1 GLU A 26 7.745 -12.349 4.348 1.00 0.00 O ATOM 395 OE2 GLU A 26 6.081 -12.592 2.933 1.00 0.00 O ATOM 0 H GLU A 26 7.595 -11.750 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 26 7.568 -10.444 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.680 -12.104 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.802 -11.438 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.784 -13.480 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.031 -13.724 2.501 1.00 0.00 H new ATOM 402 N VAL A 27 8.547 -8.604 -0.166 1.00 0.00 N ATOM 403 CA VAL A 27 9.044 -7.273 -0.349 1.00 0.00 C ATOM 404 C VAL A 27 8.095 -6.330 0.245 1.00 0.00 C ATOM 405 O VAL A 27 8.492 -5.271 0.585 1.00 0.00 O ATOM 406 CB VAL A 27 9.404 -6.885 -1.773 1.00 0.00 C ATOM 407 CG1 VAL A 27 9.536 -8.045 -2.579 1.00 0.00 C ATOM 408 CG2 VAL A 27 8.511 -5.919 -2.337 1.00 0.00 C ATOM 0 H VAL A 27 7.914 -8.934 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 27 10.006 -7.236 0.163 1.00 0.00 H new ATOM 0 HB VAL A 27 10.371 -6.383 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.794 -7.753 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.322 -8.682 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.593 -8.592 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.824 -5.685 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.499 -6.324 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.529 -5.011 -1.734 1.00 0.00 H new ATOM 418 N ILE A 28 6.798 -6.726 0.413 1.00 0.00 N ATOM 419 CA ILE A 28 5.910 -5.933 1.182 1.00 0.00 C ATOM 420 C ILE A 28 6.466 -5.905 2.511 1.00 0.00 C ATOM 421 O ILE A 28 6.438 -4.938 3.183 1.00 0.00 O ATOM 422 CB ILE A 28 4.545 -6.584 1.280 1.00 0.00 C ATOM 423 CG1 ILE A 28 3.836 -6.529 -0.011 1.00 0.00 C ATOM 424 CG2 ILE A 28 3.671 -6.016 2.434 1.00 0.00 C ATOM 425 CD1 ILE A 28 4.026 -5.219 -0.715 1.00 0.00 C ATOM 0 H ILE A 28 6.393 -7.575 0.020 1.00 0.00 H new ATOM 0 HA ILE A 28 5.796 -4.948 0.730 1.00 0.00 H new ATOM 0 HB ILE A 28 4.724 -7.630 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.191 -7.337 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.772 -6.698 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.708 -6.527 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.178 -6.174 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.514 -4.948 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.483 -5.232 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.646 -4.411 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.087 -5.060 -0.908 1.00 0.00 H new ATOM 437 N ALA A 29 6.951 -7.013 2.848 1.00 0.00 N ATOM 438 CA ALA A 29 7.612 -7.229 4.021 1.00 0.00 C ATOM 439 C ALA A 29 8.830 -6.357 4.193 1.00 0.00 C ATOM 440 O ALA A 29 9.025 -5.822 5.265 1.00 0.00 O ATOM 441 CB ALA A 29 7.881 -8.628 4.170 1.00 0.00 C ATOM 0 H ALA A 29 6.886 -7.845 2.262 1.00 0.00 H new ATOM 0 HA ALA A 29 6.961 -6.923 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.409 -8.799 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.941 -9.180 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.497 -8.971 3.339 1.00 0.00 H new ATOM 447 N PHE A 30 9.621 -6.170 3.136 1.00 0.00 N ATOM 448 CA PHE A 30 10.682 -5.237 3.218 1.00 0.00 C ATOM 449 C PHE A 30 10.113 -3.900 3.344 1.00 0.00 C ATOM 450 O PHE A 30 10.497 -3.149 4.170 1.00 0.00 O ATOM 451 CB PHE A 30 11.495 -5.296 2.010 1.00 0.00 C ATOM 452 CG PHE A 30 11.946 -4.019 1.459 1.00 0.00 C ATOM 453 CD1 PHE A 30 11.416 -3.608 0.277 1.00 0.00 C ATOM 454 CD2 PHE A 30 12.898 -3.215 2.109 1.00 0.00 C ATOM 455 CE1 PHE A 30 11.813 -2.460 -0.242 1.00 0.00 C ATOM 456 CE2 PHE A 30 13.278 -2.060 1.562 1.00 0.00 C ATOM 457 CZ PHE A 30 12.742 -1.687 0.394 1.00 0.00 C ATOM 0 H PHE A 30 9.530 -6.653 2.242 1.00 0.00 H new ATOM 0 HA PHE A 30 11.308 -5.470 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.374 -5.905 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.924 -5.816 1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.679 -4.212 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.321 -3.532 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.397 -2.128 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 30 14.008 -1.435 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.051 -0.755 -0.055 1.00 0.00 H new ATOM 467 N LEU A 31 9.147 -3.630 2.498 1.00 0.00 N ATOM 468 CA LEU A 31 8.490 -2.389 2.434 1.00 0.00 C ATOM 469 C LEU A 31 7.975 -2.018 3.757 1.00 0.00 C ATOM 470 O LEU A 31 7.992 -0.927 4.120 1.00 0.00 O ATOM 471 CB LEU A 31 7.371 -2.520 1.439 1.00 0.00 C ATOM 472 CG LEU A 31 7.814 -2.501 0.046 1.00 0.00 C ATOM 473 CD1 LEU A 31 6.673 -2.475 -0.879 1.00 0.00 C ATOM 474 CD2 LEU A 31 8.751 -1.379 -0.184 1.00 0.00 C ATOM 0 H LEU A 31 8.800 -4.308 1.819 1.00 0.00 H new ATOM 0 HA LEU A 31 9.178 -1.603 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.837 -3.451 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.661 -1.708 1.596 1.00 0.00 H new ATOM 0 HG LEU A 31 8.355 -3.425 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.038 -2.461 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.059 -3.362 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.075 -1.583 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.071 -1.380 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.252 -0.436 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.621 -1.493 0.463 1.00 0.00 H new ATOM 486 N ALA A 32 7.575 -2.970 4.458 1.00 0.00 N ATOM 487 CA ALA A 32 7.025 -2.795 5.754 1.00 0.00 C ATOM 488 C ALA A 32 8.057 -2.708 6.843 1.00 0.00 C ATOM 489 O ALA A 32 7.868 -1.984 7.827 1.00 0.00 O ATOM 490 CB ALA A 32 6.127 -3.903 5.963 1.00 0.00 C ATOM 0 H ALA A 32 7.612 -3.943 4.155 1.00 0.00 H new ATOM 0 HA ALA A 32 6.507 -1.837 5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.672 -3.821 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.347 -3.888 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.682 -4.839 5.896 1.00 0.00 H new ATOM 496 N GLU A 33 9.165 -3.385 6.665 1.00 0.00 N ATOM 497 CA GLU A 33 10.185 -3.384 7.652 1.00 0.00 C ATOM 498 C GLU A 33 10.940 -2.081 7.568 1.00 0.00 C ATOM 499 O GLU A 33 11.588 -1.602 8.497 1.00 0.00 O ATOM 500 CB GLU A 33 11.049 -4.568 7.439 1.00 0.00 C ATOM 501 CG GLU A 33 12.067 -4.425 6.358 1.00 0.00 C ATOM 502 CD GLU A 33 13.094 -5.570 6.288 1.00 0.00 C ATOM 503 OE1 GLU A 33 13.119 -6.352 5.292 1.00 0.00 O ATOM 504 OE2 GLU A 33 13.899 -5.697 7.238 1.00 0.00 O ATOM 0 H GLU A 33 9.372 -3.943 5.837 1.00 0.00 H new ATOM 0 HA GLU A 33 9.774 -3.456 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.563 -4.795 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.415 -5.424 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.553 -4.357 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.600 -3.485 6.501 1.00 0.00 H new ATOM 511 N ARG A 34 10.785 -1.536 6.433 1.00 0.00 N ATOM 512 CA ARG A 34 11.363 -0.368 6.000 1.00 0.00 C ATOM 513 C ARG A 34 10.427 0.824 6.178 1.00 0.00 C ATOM 514 O ARG A 34 10.872 1.895 6.590 1.00 0.00 O ATOM 515 CB ARG A 34 11.697 -0.599 4.559 1.00 0.00 C ATOM 516 CG ARG A 34 12.648 0.309 4.017 1.00 0.00 C ATOM 517 CD ARG A 34 13.910 0.192 4.776 1.00 0.00 C ATOM 518 NE ARG A 34 15.003 0.819 4.140 1.00 0.00 N ATOM 519 CZ ARG A 34 15.750 1.800 4.664 1.00 0.00 C ATOM 520 NH1 ARG A 34 15.362 2.421 5.798 1.00 0.00 N ATOM 521 NH2 ARG A 34 16.861 2.169 4.065 1.00 0.00 N ATOM 0 H ARG A 34 10.185 -1.953 5.721 1.00 0.00 H new ATOM 0 HA ARG A 34 12.252 -0.123 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.079 -1.614 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.780 -0.537 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.820 0.089 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.269 1.329 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.773 0.630 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.141 -0.863 4.924 1.00 0.00 H new ATOM 0 HE ARG A 34 15.245 0.498 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.496 2.144 6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.935 3.167 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.153 1.709 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.431 2.916 4.462 1.00 0.00 H new ATOM 535 N PHE A 35 9.153 0.662 5.823 1.00 0.00 N ATOM 536 CA PHE A 35 8.156 1.700 5.970 1.00 0.00 C ATOM 537 C PHE A 35 7.086 1.443 7.027 1.00 0.00 C ATOM 538 O PHE A 35 5.979 1.004 6.692 1.00 0.00 O ATOM 539 CB PHE A 35 7.510 1.855 4.649 1.00 0.00 C ATOM 540 CG PHE A 35 8.396 2.411 3.649 1.00 0.00 C ATOM 541 CD1 PHE A 35 9.038 3.622 3.823 1.00 0.00 C ATOM 542 CD2 PHE A 35 8.646 1.693 2.546 1.00 0.00 C ATOM 543 CE1 PHE A 35 9.920 4.073 2.870 1.00 0.00 C ATOM 544 CE2 PHE A 35 9.479 2.119 1.618 1.00 0.00 C ATOM 545 CZ PHE A 35 10.140 3.309 1.747 1.00 0.00 C ATOM 0 H PHE A 35 8.790 -0.203 5.423 1.00 0.00 H new ATOM 0 HA PHE A 35 8.671 2.596 6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.152 0.883 4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.636 2.499 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.847 4.213 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.153 0.741 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.433 5.014 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.643 1.516 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.823 3.644 0.980 1.00 0.00 H new ATOM 555 N PRO A 36 7.424 1.659 8.318 1.00 0.00 N ATOM 556 CA PRO A 36 6.494 1.675 9.464 1.00 0.00 C ATOM 557 C PRO A 36 5.154 2.513 9.323 1.00 0.00 C ATOM 558 O PRO A 36 4.520 2.804 10.337 1.00 0.00 O ATOM 559 CB PRO A 36 7.354 2.356 10.551 1.00 0.00 C ATOM 560 CG PRO A 36 8.695 2.574 9.996 1.00 0.00 C ATOM 561 CD PRO A 36 8.796 1.726 8.820 1.00 0.00 C ATOM 0 HA PRO A 36 6.132 0.661 9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.907 3.304 10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.407 1.731 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.841 3.622 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.463 2.319 10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.473 2.150 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.178 0.737 9.072 1.00 0.00 H new ATOM 569 N HIS A 37 4.743 2.915 8.132 1.00 0.00 N ATOM 570 CA HIS A 37 3.471 3.620 7.991 1.00 0.00 C ATOM 571 C HIS A 37 2.674 2.905 6.946 1.00 0.00 C ATOM 572 O HIS A 37 1.562 2.446 7.172 1.00 0.00 O ATOM 573 CB HIS A 37 3.621 5.114 7.528 1.00 0.00 C ATOM 574 CG HIS A 37 2.427 5.964 7.789 1.00 0.00 C ATOM 575 ND1 HIS A 37 2.476 7.150 8.496 1.00 0.00 N ATOM 576 CD2 HIS A 37 1.170 5.838 7.360 1.00 0.00 C ATOM 577 CE1 HIS A 37 1.283 7.716 8.487 1.00 0.00 C ATOM 578 NE2 HIS A 37 0.459 6.942 7.790 1.00 0.00 N ATOM 0 H HIS A 37 5.256 2.771 7.262 1.00 0.00 H new ATOM 0 HA HIS A 37 2.997 3.630 8.972 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.481 5.553 8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.836 5.130 6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.777 5.017 6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.022 8.649 8.965 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.526 7.130 7.605 1.00 0.00 H new ATOM 587 N CYS A 38 3.241 2.954 5.803 1.00 0.00 N ATOM 588 CA CYS A 38 2.794 2.404 4.592 1.00 0.00 C ATOM 589 C CYS A 38 2.497 0.950 4.675 1.00 0.00 C ATOM 590 O CYS A 38 1.405 0.493 4.332 1.00 0.00 O ATOM 591 CB CYS A 38 3.940 2.675 3.625 1.00 0.00 C ATOM 592 SG CYS A 38 4.709 4.247 4.031 1.00 0.00 S ATOM 0 H CYS A 38 4.132 3.437 5.685 1.00 0.00 H new ATOM 0 HA CYS A 38 1.848 2.848 4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.676 1.873 3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.568 2.694 2.600 1.00 0.00 H new ATOM 0 HG CYS A 38 4.135 5.198 3.356 1.00 0.00 H new ATOM 598 N PHE A 39 3.439 0.236 5.121 1.00 0.00 N ATOM 599 CA PHE A 39 3.386 -1.125 5.029 1.00 0.00 C ATOM 600 C PHE A 39 3.382 -1.815 6.404 1.00 0.00 C ATOM 601 O PHE A 39 3.887 -1.289 7.381 1.00 0.00 O ATOM 602 CB PHE A 39 4.581 -1.412 4.221 1.00 0.00 C ATOM 603 CG PHE A 39 4.574 -0.965 2.847 1.00 0.00 C ATOM 604 CD1 PHE A 39 5.527 -0.122 2.479 1.00 0.00 C ATOM 605 CD2 PHE A 39 3.645 -1.377 1.922 1.00 0.00 C ATOM 606 CE1 PHE A 39 5.626 0.333 1.278 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.720 -0.910 0.641 1.00 0.00 C ATOM 608 CZ PHE A 39 4.726 -0.040 0.310 1.00 0.00 C ATOM 0 H PHE A 39 4.280 0.603 5.567 1.00 0.00 H new ATOM 0 HA PHE A 39 2.468 -1.507 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.440 -0.962 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.740 -2.490 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.250 0.197 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.862 -2.065 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.425 1.015 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.998 -1.221 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.810 0.346 -0.695 1.00 0.00 H new ATOM 618 N SER A 40 2.755 -2.976 6.440 1.00 0.00 N ATOM 619 CA SER A 40 2.623 -3.813 7.627 1.00 0.00 C ATOM 620 C SER A 40 3.599 -4.930 7.662 1.00 0.00 C ATOM 621 O SER A 40 4.552 -4.854 8.412 1.00 0.00 O ATOM 622 CB SER A 40 1.247 -4.348 7.666 1.00 0.00 C ATOM 623 OG SER A 40 0.295 -3.319 7.823 1.00 0.00 O ATOM 0 H SER A 40 2.307 -3.380 5.617 1.00 0.00 H new ATOM 0 HA SER A 40 2.833 -3.195 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.043 -4.896 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.155 -5.058 8.488 1.00 0.00 H new ATOM 0 HG SER A 40 -0.605 -3.706 7.843 1.00 0.00 H new ATOM 629 N ALA A 41 3.227 -6.044 6.963 1.00 0.00 N ATOM 630 CA ALA A 41 3.985 -7.277 6.713 1.00 0.00 C ATOM 631 C ALA A 41 3.416 -8.219 7.663 1.00 0.00 C ATOM 632 O ALA A 41 3.296 -9.412 7.430 1.00 0.00 O ATOM 633 CB ALA A 41 5.384 -7.064 6.959 1.00 0.00 C ATOM 0 H ALA A 41 2.305 -6.090 6.528 1.00 0.00 H new ATOM 0 HA ALA A 41 3.916 -7.629 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.931 -7.987 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.754 -6.280 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.529 -6.763 7.996 1.00 0.00 H new ATOM 639 N GLU A 42 3.026 -7.595 8.746 1.00 0.00 N ATOM 640 CA GLU A 42 2.200 -8.124 9.745 1.00 0.00 C ATOM 641 C GLU A 42 0.900 -8.377 9.175 1.00 0.00 C ATOM 642 O GLU A 42 0.251 -9.414 9.313 1.00 0.00 O ATOM 643 CB GLU A 42 1.989 -7.019 10.644 1.00 0.00 C ATOM 644 CG GLU A 42 3.047 -6.776 11.638 1.00 0.00 C ATOM 645 CD GLU A 42 3.080 -7.823 12.744 1.00 0.00 C ATOM 646 OE1 GLU A 42 2.918 -7.447 13.921 1.00 0.00 O ATOM 647 OE2 GLU A 42 3.233 -9.021 12.433 1.00 0.00 O ATOM 0 H GLU A 42 3.311 -6.636 8.945 1.00 0.00 H new ATOM 0 HA GLU A 42 2.624 -9.022 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.863 -6.114 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.052 -7.184 11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.013 -6.758 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.901 -5.791 12.082 1.00 0.00 H new ATOM 654 N GLY A 43 0.551 -7.389 8.502 1.00 0.00 N ATOM 655 CA GLY A 43 -0.662 -7.300 7.949 1.00 0.00 C ATOM 656 C GLY A 43 -0.615 -7.705 6.540 1.00 0.00 C ATOM 657 O GLY A 43 0.391 -7.456 5.854 1.00 0.00 O ATOM 0 H GLY A 43 1.152 -6.585 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.363 -7.933 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.030 -6.277 8.027 1.00 0.00 H new ATOM 661 N GLU A 44 -1.671 -8.344 6.139 1.00 0.00 N ATOM 662 CA GLU A 44 -1.934 -8.765 4.807 1.00 0.00 C ATOM 663 C GLU A 44 -1.755 -7.583 3.914 1.00 0.00 C ATOM 664 O GLU A 44 -1.019 -7.634 2.930 1.00 0.00 O ATOM 665 CB GLU A 44 -3.355 -9.203 4.771 1.00 0.00 C ATOM 666 CG GLU A 44 -3.760 -10.099 3.651 1.00 0.00 C ATOM 667 CD GLU A 44 -5.237 -10.371 3.743 1.00 0.00 C ATOM 668 OE1 GLU A 44 -5.963 -10.039 2.791 1.00 0.00 O ATOM 669 OE2 GLU A 44 -5.701 -10.796 4.839 1.00 0.00 O ATOM 0 H GLU A 44 -2.420 -8.600 6.782 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.274 -9.571 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.576 -9.712 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.983 -8.313 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.523 -9.634 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.202 -11.034 3.698 1.00 0.00 H new ATOM 676 N ALA A 45 -2.412 -6.503 4.305 1.00 0.00 N ATOM 677 CA ALA A 45 -2.280 -5.267 3.667 1.00 0.00 C ATOM 678 C ALA A 45 -2.787 -4.167 4.549 1.00 0.00 C ATOM 679 O ALA A 45 -3.238 -4.410 5.681 1.00 0.00 O ATOM 680 CB ALA A 45 -2.941 -5.263 2.327 1.00 0.00 C ATOM 0 H ALA A 45 -3.058 -6.494 5.094 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.220 -5.088 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.816 -4.285 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.486 -6.025 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.003 -5.476 2.445 1.00 0.00 H new ATOM 686 N ARG A 46 -2.711 -3.000 4.022 1.00 0.00 N ATOM 687 CA ARG A 46 -3.001 -1.760 4.657 1.00 0.00 C ATOM 688 C ARG A 46 -3.431 -0.883 3.503 1.00 0.00 C ATOM 689 O ARG A 46 -2.954 -1.149 2.393 1.00 0.00 O ATOM 690 CB ARG A 46 -1.642 -1.274 5.257 1.00 0.00 C ATOM 691 CG ARG A 46 -1.572 0.142 5.813 1.00 0.00 C ATOM 692 CD ARG A 46 -2.498 0.360 6.992 1.00 0.00 C ATOM 693 NE ARG A 46 -2.412 1.743 7.546 1.00 0.00 N ATOM 694 CZ ARG A 46 -2.712 2.908 6.892 1.00 0.00 C ATOM 695 NH1 ARG A 46 -2.956 2.928 5.577 1.00 0.00 N ATOM 696 NH2 ARG A 46 -2.718 4.061 7.572 1.00 0.00 N ATOM 0 H ARG A 46 -2.420 -2.874 3.053 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.754 -1.779 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.365 -1.961 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.882 -1.366 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.548 0.357 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.825 0.850 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.524 0.160 6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.255 -0.357 7.777 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.097 1.829 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.921 2.062 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.177 3.809 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.500 4.067 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.940 4.934 7.094 1.00 0.00 H new ATOM 710 N PRO A 47 -4.401 0.076 3.659 1.00 0.00 N ATOM 711 CA PRO A 47 -4.696 0.993 2.579 1.00 0.00 C ATOM 712 C PRO A 47 -3.413 1.680 2.164 1.00 0.00 C ATOM 713 O PRO A 47 -2.634 2.123 3.002 1.00 0.00 O ATOM 714 CB PRO A 47 -5.751 1.966 3.155 1.00 0.00 C ATOM 715 CG PRO A 47 -6.383 1.186 4.261 1.00 0.00 C ATOM 716 CD PRO A 47 -5.305 0.275 4.808 1.00 0.00 C ATOM 0 HA PRO A 47 -5.089 0.515 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.291 2.883 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.482 2.256 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.762 1.850 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.231 0.608 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.786 0.730 5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.719 -0.670 5.160 1.00 0.00 H new ATOM 724 N LEU A 48 -3.169 1.652 0.912 1.00 0.00 N ATOM 725 CA LEU A 48 -1.976 2.122 0.323 1.00 0.00 C ATOM 726 C LEU A 48 -2.359 2.670 -1.040 1.00 0.00 C ATOM 727 O LEU A 48 -3.475 2.469 -1.467 1.00 0.00 O ATOM 728 CB LEU A 48 -1.056 0.888 0.200 1.00 0.00 C ATOM 729 CG LEU A 48 -0.017 0.908 -0.830 1.00 0.00 C ATOM 730 CD1 LEU A 48 1.221 1.433 -0.345 1.00 0.00 C ATOM 731 CD2 LEU A 48 0.209 -0.385 -1.433 1.00 0.00 C ATOM 0 H LEU A 48 -3.832 1.280 0.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.468 2.902 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.569 0.737 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.687 0.017 0.022 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.402 1.575 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.958 1.426 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.072 2.455 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.578 0.818 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.991 -0.303 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.519 -1.095 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.712 -0.734 -1.900 1.00 0.00 H new ATOM 743 N LYS A 49 -1.488 3.386 -1.699 1.00 0.00 N ATOM 744 CA LYS A 49 -1.763 3.795 -2.999 1.00 0.00 C ATOM 745 C LYS A 49 -0.994 2.863 -3.873 1.00 0.00 C ATOM 746 O LYS A 49 -0.379 1.976 -3.408 1.00 0.00 O ATOM 747 CB LYS A 49 -1.309 5.206 -3.276 1.00 0.00 C ATOM 748 CG LYS A 49 -2.491 6.105 -3.716 1.00 0.00 C ATOM 749 CD LYS A 49 -3.177 5.581 -4.997 1.00 0.00 C ATOM 750 CE LYS A 49 -4.408 6.407 -5.392 1.00 0.00 C ATOM 751 NZ LYS A 49 -4.075 7.808 -5.690 1.00 0.00 N ATOM 0 H LYS A 49 -0.585 3.686 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.839 3.777 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.846 5.623 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.547 5.198 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.223 6.160 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.130 7.119 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.460 5.591 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.474 4.543 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.879 5.956 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.138 6.375 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.951 8.357 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.515 8.205 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.523 7.854 -6.570 1.00 0.00 H new ATOM 765 N ILE A 50 -1.017 3.044 -5.078 1.00 0.00 N ATOM 766 CA ILE A 50 -0.152 2.281 -5.923 1.00 0.00 C ATOM 767 C ILE A 50 0.961 3.076 -6.514 1.00 0.00 C ATOM 768 O ILE A 50 2.089 2.596 -6.678 1.00 0.00 O ATOM 769 CB ILE A 50 -0.899 1.408 -6.881 1.00 0.00 C ATOM 770 CG1 ILE A 50 -1.066 0.078 -6.151 1.00 0.00 C ATOM 771 CG2 ILE A 50 -0.122 1.282 -8.150 1.00 0.00 C ATOM 772 CD1 ILE A 50 -1.859 -0.931 -6.856 1.00 0.00 C ATOM 0 H ILE A 50 -1.618 3.714 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 50 0.368 1.577 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.872 1.806 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.077 -0.335 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.531 0.270 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.666 0.646 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.017 2.269 -8.591 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.851 0.839 -7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.916 -1.836 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.864 -0.547 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.388 -1.162 -7.812 1.00 0.00 H new ATOM 784 N GLY A 51 0.683 4.297 -6.734 1.00 0.00 N ATOM 785 CA GLY A 51 1.674 5.196 -7.260 1.00 0.00 C ATOM 786 C GLY A 51 2.792 5.436 -6.278 1.00 0.00 C ATOM 787 O GLY A 51 3.836 5.845 -6.671 1.00 0.00 O ATOM 0 H GLY A 51 -0.229 4.720 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.083 4.785 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.204 6.146 -7.515 1.00 0.00 H new ATOM 791 N ILE A 52 2.567 5.102 -4.981 1.00 0.00 N ATOM 792 CA ILE A 52 3.579 5.057 -3.986 1.00 0.00 C ATOM 793 C ILE A 52 4.764 4.258 -4.455 1.00 0.00 C ATOM 794 O ILE A 52 5.842 4.548 -4.086 1.00 0.00 O ATOM 795 CB ILE A 52 3.078 4.306 -2.779 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.238 3.985 -1.969 1.00 0.00 C ATOM 797 CG2 ILE A 52 2.381 3.022 -3.179 1.00 0.00 C ATOM 798 CD1 ILE A 52 3.958 3.036 -0.975 1.00 0.00 C ATOM 0 H ILE A 52 1.642 4.857 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 52 3.846 6.091 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 52 2.358 4.918 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.032 3.607 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.613 4.895 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.032 2.504 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.530 3.254 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.079 2.382 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.862 2.834 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.184 3.422 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.610 2.114 -1.440 1.00 0.00 H new ATOM 810 N PHE A 53 4.532 3.219 -5.217 1.00 0.00 N ATOM 811 CA PHE A 53 5.530 2.342 -5.613 1.00 0.00 C ATOM 812 C PHE A 53 6.729 3.105 -6.112 1.00 0.00 C ATOM 813 O PHE A 53 7.754 2.885 -5.766 1.00 0.00 O ATOM 814 CB PHE A 53 4.987 1.543 -6.690 1.00 0.00 C ATOM 815 CG PHE A 53 6.050 0.912 -7.416 1.00 0.00 C ATOM 816 CD1 PHE A 53 6.643 -0.032 -6.822 1.00 0.00 C ATOM 817 CD2 PHE A 53 6.446 1.284 -8.697 1.00 0.00 C ATOM 818 CE1 PHE A 53 7.613 -0.664 -7.348 1.00 0.00 C ATOM 819 CE2 PHE A 53 7.509 0.615 -9.277 1.00 0.00 C ATOM 820 CZ PHE A 53 8.086 -0.375 -8.562 1.00 0.00 C ATOM 0 H PHE A 53 3.607 2.980 -5.573 1.00 0.00 H new ATOM 0 HA PHE A 53 5.847 1.720 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.311 0.788 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.401 2.171 -7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.314 -0.312 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.936 2.076 -9.226 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.072 -1.467 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.864 0.874 -10.264 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.921 -0.927 -8.968 1.00 0.00 H new ATOM 830 N GLN A 54 6.468 4.032 -6.841 1.00 0.00 N ATOM 831 CA GLN A 54 7.398 4.985 -7.392 1.00 0.00 C ATOM 832 C GLN A 54 8.285 5.741 -6.321 1.00 0.00 C ATOM 833 O GLN A 54 9.274 6.392 -6.604 1.00 0.00 O ATOM 834 CB GLN A 54 6.451 5.847 -8.093 1.00 0.00 C ATOM 835 CG GLN A 54 6.726 7.302 -8.126 1.00 0.00 C ATOM 836 CD GLN A 54 6.445 8.014 -6.914 1.00 0.00 C ATOM 837 OE1 GLN A 54 6.071 7.266 -5.895 1.00 0.00 O flip ATOM 838 NE2 GLN A 54 6.306 9.226 -6.926 1.00 0.00 N flip ATOM 0 H GLN A 54 5.510 4.219 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 54 8.183 4.550 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.381 5.497 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.470 5.703 -7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.776 7.449 -8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.140 7.746 -8.931 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.610 9.766 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.886 9.699 -6.126 1.00 0.00 H new ATOM 847 N ASP A 55 7.837 5.644 -5.198 1.00 0.00 N ATOM 848 CA ASP A 55 8.304 6.426 -4.031 1.00 0.00 C ATOM 849 C ASP A 55 9.089 5.603 -3.272 1.00 0.00 C ATOM 850 O ASP A 55 10.076 5.983 -2.693 1.00 0.00 O ATOM 851 CB ASP A 55 7.148 6.889 -3.179 1.00 0.00 C ATOM 852 CG ASP A 55 7.452 7.793 -2.000 1.00 0.00 C ATOM 853 OD1 ASP A 55 8.440 8.522 -2.029 1.00 0.00 O ATOM 854 OD2 ASP A 55 6.700 7.718 -1.006 1.00 0.00 O ATOM 0 H ASP A 55 7.083 4.998 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 55 8.845 7.304 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.443 7.410 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.637 6.004 -2.799 1.00 0.00 H new ATOM 859 N LEU A 56 8.587 4.447 -3.214 1.00 0.00 N ATOM 860 CA LEU A 56 9.229 3.395 -2.736 1.00 0.00 C ATOM 861 C LEU A 56 10.411 3.355 -3.445 1.00 0.00 C ATOM 862 O LEU A 56 11.369 3.579 -2.944 1.00 0.00 O ATOM 863 CB LEU A 56 8.376 2.371 -3.169 1.00 0.00 C ATOM 864 CG LEU A 56 7.917 1.261 -2.464 1.00 0.00 C ATOM 865 CD1 LEU A 56 7.587 1.604 -1.169 1.00 0.00 C ATOM 866 CD2 LEU A 56 6.685 1.071 -2.976 1.00 0.00 C ATOM 0 H LEU A 56 7.642 4.236 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 56 9.443 3.362 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.474 2.882 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.859 1.960 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 56 8.650 0.456 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.231 0.721 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.466 2.002 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.802 2.360 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.218 0.213 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.078 1.960 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.761 0.887 -4.048 1.00 0.00 H new ATOM 878 N VAL A 57 10.286 3.189 -4.653 1.00 0.00 N ATOM 879 CA VAL A 57 11.386 2.906 -5.519 1.00 0.00 C ATOM 880 C VAL A 57 12.465 3.935 -5.560 1.00 0.00 C ATOM 881 O VAL A 57 13.562 3.644 -6.105 1.00 0.00 O ATOM 882 CB VAL A 57 10.929 2.668 -6.842 1.00 0.00 C ATOM 883 CG1 VAL A 57 9.959 1.654 -6.748 1.00 0.00 C ATOM 884 CG2 VAL A 57 10.372 3.883 -7.441 1.00 0.00 C ATOM 0 H VAL A 57 9.388 3.240 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 57 11.841 2.017 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 57 11.751 2.364 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.571 1.429 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.410 0.757 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.144 1.989 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.031 3.666 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.531 4.231 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.139 4.657 -7.474 1.00 0.00 H new ATOM 894 N ASP A 58 12.122 5.137 -5.136 1.00 0.00 N ATOM 895 CA ASP A 58 13.120 6.162 -4.915 1.00 0.00 C ATOM 896 C ASP A 58 14.129 5.619 -3.907 1.00 0.00 C ATOM 897 O ASP A 58 15.338 5.561 -4.104 1.00 0.00 O ATOM 898 CB ASP A 58 12.473 7.268 -4.197 1.00 0.00 C ATOM 899 CG ASP A 58 13.233 8.583 -4.252 1.00 0.00 C ATOM 900 OD1 ASP A 58 13.806 8.981 -3.208 1.00 0.00 O ATOM 901 OD2 ASP A 58 13.274 9.203 -5.336 1.00 0.00 O ATOM 0 H ASP A 58 11.164 5.425 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 58 13.566 6.458 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.477 7.421 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.343 6.981 -3.154 1.00 0.00 H new ATOM 906 N ARG A 59 13.495 5.061 -2.916 1.00 0.00 N ATOM 907 CA ARG A 59 13.960 4.647 -1.689 1.00 0.00 C ATOM 908 C ARG A 59 14.275 3.179 -1.611 1.00 0.00 C ATOM 909 O ARG A 59 15.410 2.787 -1.441 1.00 0.00 O ATOM 910 CB ARG A 59 12.829 4.961 -0.756 1.00 0.00 C ATOM 911 CG ARG A 59 12.659 6.429 -0.380 1.00 0.00 C ATOM 912 CD ARG A 59 11.200 6.723 -0.049 1.00 0.00 C ATOM 913 NE ARG A 59 11.036 7.482 1.203 1.00 0.00 N ATOM 914 CZ ARG A 59 10.089 8.440 1.443 1.00 0.00 C ATOM 915 NH1 ARG A 59 9.240 8.839 0.506 1.00 0.00 N ATOM 916 NH2 ARG A 59 10.017 9.006 2.637 1.00 0.00 N ATOM 0 H ARG A 59 12.496 4.874 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 59 14.902 5.144 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.902 4.614 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.969 4.386 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.289 6.668 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.987 7.063 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.753 7.285 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.654 5.783 0.028 1.00 0.00 H new ATOM 0 HE ARG A 59 11.688 7.274 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.281 8.429 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.546 9.556 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.666 8.728 3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.313 9.721 2.821 1.00 0.00 H new ATOM 930 N VAL A 60 13.247 2.383 -1.806 1.00 0.00 N ATOM 931 CA VAL A 60 13.241 1.010 -1.509 1.00 0.00 C ATOM 932 C VAL A 60 14.192 0.135 -2.207 1.00 0.00 C ATOM 933 O VAL A 60 14.820 -0.695 -1.622 1.00 0.00 O ATOM 934 CB VAL A 60 11.884 0.484 -1.880 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.931 1.116 -1.178 1.00 0.00 C ATOM 936 CG2 VAL A 60 11.543 0.671 -3.261 1.00 0.00 C ATOM 0 H VAL A 60 12.363 2.713 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 60 13.525 0.975 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 60 11.934 -0.583 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.953 0.724 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.096 0.954 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.969 2.184 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.549 0.265 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.551 1.735 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.270 0.155 -3.888 1.00 0.00 H new ATOM 946 N ALA A 61 14.201 0.328 -3.448 1.00 0.00 N ATOM 947 CA ALA A 61 14.488 -0.654 -4.340 1.00 0.00 C ATOM 948 C ALA A 61 15.620 -1.561 -4.120 1.00 0.00 C ATOM 949 O ALA A 61 15.543 -2.559 -3.399 1.00 0.00 O ATOM 950 CB ALA A 61 14.351 -0.148 -5.673 1.00 0.00 C ATOM 0 H ALA A 61 13.995 1.230 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 61 13.726 -1.406 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.582 -0.938 -6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.328 0.195 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.039 0.685 -5.818 1.00 0.00 H new ATOM 956 N GLY A 62 16.610 -1.219 -4.621 1.00 0.00 N ATOM 957 CA GLY A 62 17.681 -2.125 -4.721 1.00 0.00 C ATOM 958 C GLY A 62 18.618 -2.078 -3.596 1.00 0.00 C ATOM 959 O GLY A 62 19.824 -2.151 -3.752 1.00 0.00 O ATOM 0 H GLY A 62 16.782 -0.291 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.280 -3.135 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.227 -1.923 -5.642 1.00 0.00 H new ATOM 963 N GLU A 63 18.023 -1.911 -2.491 1.00 0.00 N ATOM 964 CA GLU A 63 18.630 -2.001 -1.228 1.00 0.00 C ATOM 965 C GLU A 63 19.090 -3.424 -1.015 1.00 0.00 C ATOM 966 O GLU A 63 20.276 -3.709 -0.912 1.00 0.00 O ATOM 967 CB GLU A 63 17.637 -1.647 -0.152 1.00 0.00 C ATOM 968 CG GLU A 63 17.312 -0.172 -0.052 1.00 0.00 C ATOM 969 CD GLU A 63 16.802 0.233 1.312 1.00 0.00 C ATOM 970 OE1 GLU A 63 15.587 0.120 1.604 1.00 0.00 O ATOM 971 OE2 GLU A 63 17.622 0.691 2.128 1.00 0.00 O ATOM 0 H GLU A 63 17.028 -1.692 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 63 19.473 -1.312 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.714 -2.197 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.026 -1.985 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.205 0.407 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.563 0.080 -0.803 1.00 0.00 H new ATOM 978 N MET A 64 18.125 -4.323 -0.938 1.00 0.00 N ATOM 979 CA MET A 64 18.441 -5.693 -0.860 1.00 0.00 C ATOM 980 C MET A 64 18.337 -6.274 -2.156 1.00 0.00 C ATOM 981 O MET A 64 19.288 -6.775 -2.732 1.00 0.00 O ATOM 982 CB MET A 64 17.559 -6.547 -0.013 1.00 0.00 C ATOM 983 CG MET A 64 17.242 -6.165 1.378 1.00 0.00 C ATOM 984 SD MET A 64 16.362 -4.616 1.514 1.00 0.00 S ATOM 985 CE MET A 64 14.968 -4.934 0.451 1.00 0.00 C ATOM 0 H MET A 64 17.128 -4.107 -0.929 1.00 0.00 H new ATOM 0 HA MET A 64 19.436 -5.684 -0.415 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.611 -6.649 -0.541 1.00 0.00 H new ATOM 0 HB3 MET A 64 18.012 -7.538 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 64 16.644 -6.954 1.835 1.00 0.00 H new ATOM 0 HG3 MET A 64 18.169 -6.097 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.522 -3.988 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.300 -5.482 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.228 -5.526 0.989 1.00 0.00 H new ATOM 995 N ASN A 65 17.143 -6.204 -2.620 1.00 0.00 N ATOM 996 CA ASN A 65 16.761 -6.913 -3.709 1.00 0.00 C ATOM 997 C ASN A 65 15.456 -6.453 -4.357 1.00 0.00 C ATOM 998 O ASN A 65 14.405 -6.999 -4.129 1.00 0.00 O ATOM 999 CB ASN A 65 16.771 -8.366 -3.351 1.00 0.00 C ATOM 1000 CG ASN A 65 15.697 -8.954 -2.582 1.00 0.00 C ATOM 1001 OD1 ASN A 65 14.725 -9.480 -3.109 1.00 0.00 O ATOM 1002 ND2 ASN A 65 15.901 -8.990 -1.348 1.00 0.00 N ATOM 0 H ASN A 65 16.408 -5.624 -2.215 1.00 0.00 H new ATOM 0 HA ASN A 65 17.485 -6.725 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.836 -8.924 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.695 -8.553 -2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.243 -9.472 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.726 -8.537 -0.954 1.00 0.00 H new ATOM 1009 N LEU A 66 15.536 -5.377 -5.065 1.00 0.00 N ATOM 1010 CA LEU A 66 14.441 -4.844 -5.857 1.00 0.00 C ATOM 1011 C LEU A 66 14.944 -4.110 -7.084 1.00 0.00 C ATOM 1012 O LEU A 66 15.775 -3.219 -7.022 1.00 0.00 O ATOM 1013 CB LEU A 66 13.709 -3.881 -5.035 1.00 0.00 C ATOM 1014 CG LEU A 66 12.873 -4.226 -3.869 1.00 0.00 C ATOM 1015 CD1 LEU A 66 12.210 -3.019 -3.367 1.00 0.00 C ATOM 1016 CD2 LEU A 66 11.958 -5.326 -4.193 1.00 0.00 C ATOM 0 H LEU A 66 16.385 -4.815 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 66 13.813 -5.676 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.453 -3.172 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.058 -3.337 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 66 13.493 -4.600 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.593 -3.274 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.962 -2.288 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.582 -2.596 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.351 -5.564 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.308 -5.028 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.534 -6.204 -4.485 1.00 0.00 H new ATOM 1028 N SER A 67 14.354 -4.462 -8.155 1.00 0.00 N ATOM 1029 CA SER A 67 14.581 -3.907 -9.455 1.00 0.00 C ATOM 1030 C SER A 67 13.317 -3.063 -9.834 1.00 0.00 C ATOM 1031 O SER A 67 12.980 -2.849 -10.986 1.00 0.00 O ATOM 1032 CB SER A 67 14.774 -5.134 -10.350 1.00 0.00 C ATOM 1033 OG SER A 67 14.874 -4.836 -11.724 1.00 0.00 O ATOM 0 H SER A 67 13.647 -5.197 -8.163 1.00 0.00 H new ATOM 0 HA SER A 67 15.440 -3.241 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.676 -5.660 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.938 -5.816 -10.197 1.00 0.00 H new ATOM 0 HG SER A 67 14.308 -4.064 -11.933 1.00 0.00 H new ATOM 1039 N LYS A 68 12.669 -2.550 -8.786 1.00 0.00 N ATOM 1040 CA LYS A 68 11.367 -1.824 -8.803 1.00 0.00 C ATOM 1041 C LYS A 68 10.253 -2.745 -9.199 1.00 0.00 C ATOM 1042 O LYS A 68 9.335 -2.891 -8.494 1.00 0.00 O ATOM 1043 CB LYS A 68 11.223 -0.514 -9.656 1.00 0.00 C ATOM 1044 CG LYS A 68 12.384 0.421 -9.820 1.00 0.00 C ATOM 1045 CD LYS A 68 13.123 0.475 -8.576 1.00 0.00 C ATOM 1046 CE LYS A 68 14.498 1.123 -8.725 1.00 0.00 C ATOM 1047 NZ LYS A 68 14.408 2.624 -8.803 1.00 0.00 N ATOM 0 H LYS A 68 13.048 -2.627 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 68 11.317 -1.478 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.909 -0.814 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.405 0.062 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.031 0.080 -10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.031 1.416 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.543 1.032 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.244 -0.536 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.125 0.841 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.983 0.742 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.342 3.016 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.724 2.893 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.096 3.001 -7.885 1.00 0.00 H new ATOM 1061 N THR A 69 10.357 -3.421 -10.281 1.00 0.00 N ATOM 1062 CA THR A 69 9.268 -4.157 -10.772 1.00 0.00 C ATOM 1063 C THR A 69 8.947 -5.367 -9.924 1.00 0.00 C ATOM 1064 O THR A 69 7.799 -5.778 -9.806 1.00 0.00 O ATOM 1065 CB THR A 69 9.529 -4.565 -12.148 1.00 0.00 C ATOM 1066 OG1 THR A 69 10.645 -5.476 -12.161 1.00 0.00 O ATOM 1067 CG2 THR A 69 9.864 -3.383 -12.987 1.00 0.00 C ATOM 0 H THR A 69 11.203 -3.476 -10.848 1.00 0.00 H new ATOM 0 HA THR A 69 8.396 -3.505 -10.734 1.00 0.00 H new ATOM 0 HB THR A 69 8.637 -5.045 -12.550 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.827 -5.757 -13.082 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.056 -3.706 -14.010 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.029 -2.682 -12.978 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.753 -2.894 -12.588 1.00 0.00 H new ATOM 1075 N GLN A 70 9.950 -5.873 -9.304 1.00 0.00 N ATOM 1076 CA GLN A 70 9.801 -6.975 -8.361 1.00 0.00 C ATOM 1077 C GLN A 70 9.331 -6.453 -6.990 1.00 0.00 C ATOM 1078 O GLN A 70 9.340 -7.151 -5.992 1.00 0.00 O ATOM 1079 CB GLN A 70 11.080 -7.737 -8.224 1.00 0.00 C ATOM 1080 CG GLN A 70 12.196 -6.900 -7.939 1.00 0.00 C ATOM 1081 CD GLN A 70 13.190 -7.560 -7.165 1.00 0.00 C ATOM 1082 OE1 GLN A 70 12.732 -8.130 -6.139 1.00 0.00 O flip ATOM 1083 NE2 GLN A 70 14.373 -7.395 -7.379 1.00 0.00 N flip ATOM 0 H GLN A 70 10.910 -5.549 -9.421 1.00 0.00 H new ATOM 0 HA GLN A 70 9.043 -7.655 -8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.974 -8.475 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.270 -8.286 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.637 -6.558 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.854 -6.014 -7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.676 -6.925 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.064 -7.727 -6.706 1.00 0.00 H new ATOM 1092 N LEU A 71 9.037 -5.202 -6.979 1.00 0.00 N ATOM 1093 CA LEU A 71 8.440 -4.498 -5.886 1.00 0.00 C ATOM 1094 C LEU A 71 7.066 -4.030 -6.322 1.00 0.00 C ATOM 1095 O LEU A 71 6.141 -4.072 -5.557 1.00 0.00 O ATOM 1096 CB LEU A 71 9.330 -3.298 -5.628 1.00 0.00 C ATOM 1097 CG LEU A 71 9.230 -2.491 -4.403 1.00 0.00 C ATOM 1098 CD1 LEU A 71 9.403 -1.052 -4.674 1.00 0.00 C ATOM 1099 CD2 LEU A 71 8.068 -2.750 -3.648 1.00 0.00 C ATOM 0 H LEU A 71 9.216 -4.599 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 71 8.341 -5.114 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.359 -3.654 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.183 -2.615 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 71 10.063 -2.808 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.322 -0.494 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.385 -0.880 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.631 -0.717 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.063 -2.118 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.186 -2.534 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.055 -3.798 -3.348 1.00 0.00 H new ATOM 1111 N ARG A 72 6.922 -3.603 -7.555 1.00 0.00 N ATOM 1112 CA ARG A 72 5.633 -3.069 -7.993 1.00 0.00 C ATOM 1113 C ARG A 72 4.595 -4.142 -7.962 1.00 0.00 C ATOM 1114 O ARG A 72 3.430 -3.880 -7.990 1.00 0.00 O ATOM 1115 CB ARG A 72 5.734 -2.408 -9.402 1.00 0.00 C ATOM 1116 CG ARG A 72 6.151 -3.337 -10.474 1.00 0.00 C ATOM 1117 CD ARG A 72 5.044 -4.213 -10.992 1.00 0.00 C ATOM 1118 NE ARG A 72 4.144 -3.506 -11.922 1.00 0.00 N ATOM 1119 CZ ARG A 72 3.461 -4.098 -12.929 1.00 0.00 C ATOM 1120 NH1 ARG A 72 3.518 -5.429 -13.092 1.00 0.00 N ATOM 1121 NH2 ARG A 72 2.732 -3.356 -13.774 1.00 0.00 N ATOM 0 H ARG A 72 7.655 -3.609 -8.264 1.00 0.00 H new ATOM 0 HA ARG A 72 5.334 -2.284 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.765 -1.981 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.444 -1.582 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.560 -2.759 -11.302 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.955 -3.970 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.476 -5.076 -11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.464 -4.594 -10.151 1.00 0.00 H new ATOM 0 HE ARG A 72 4.028 -2.500 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.077 -5.997 -12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.002 -5.872 -13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.691 -2.343 -13.659 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.218 -3.804 -14.533 1.00 0.00 H new ATOM 1135 N SER A 73 5.069 -5.332 -7.951 1.00 0.00 N ATOM 1136 CA SER A 73 4.350 -6.502 -7.966 1.00 0.00 C ATOM 1137 C SER A 73 3.880 -6.856 -6.614 1.00 0.00 C ATOM 1138 O SER A 73 2.859 -7.502 -6.419 1.00 0.00 O ATOM 1139 CB SER A 73 5.340 -7.423 -8.427 1.00 0.00 C ATOM 1140 OG SER A 73 6.491 -7.340 -7.593 1.00 0.00 O ATOM 0 H SER A 73 6.074 -5.502 -7.929 1.00 0.00 H new ATOM 0 HA SER A 73 3.447 -6.469 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.942 -8.438 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.609 -7.198 -9.459 1.00 0.00 H new ATOM 0 HG SER A 73 6.819 -8.243 -7.397 1.00 0.00 H new ATOM 1146 N ALA A 74 4.599 -6.383 -5.709 1.00 0.00 N ATOM 1147 CA ALA A 74 4.296 -6.535 -4.308 1.00 0.00 C ATOM 1148 C ALA A 74 3.184 -5.617 -4.011 1.00 0.00 C ATOM 1149 O ALA A 74 2.267 -5.888 -3.237 1.00 0.00 O ATOM 1150 CB ALA A 74 5.518 -6.207 -3.520 1.00 0.00 C ATOM 0 H ALA A 74 5.453 -5.855 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 74 4.002 -7.552 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.306 -6.317 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.325 -6.884 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.819 -5.180 -3.725 1.00 0.00 H new ATOM 1156 N LEU A 75 3.166 -4.683 -4.830 1.00 0.00 N ATOM 1157 CA LEU A 75 2.370 -3.587 -4.796 1.00 0.00 C ATOM 1158 C LEU A 75 1.272 -3.782 -5.873 1.00 0.00 C ATOM 1159 O LEU A 75 0.836 -2.879 -6.552 1.00 0.00 O ATOM 1160 CB LEU A 75 3.375 -2.574 -5.054 1.00 0.00 C ATOM 1161 CG LEU A 75 3.792 -1.691 -3.927 1.00 0.00 C ATOM 1162 CD1 LEU A 75 5.113 -1.294 -4.183 1.00 0.00 C ATOM 1163 CD2 LEU A 75 3.023 -0.420 -3.818 1.00 0.00 C ATOM 0 H LEU A 75 3.789 -4.676 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 75 1.798 -3.351 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.266 -3.077 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.006 -1.936 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 75 3.638 -2.266 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.460 -0.644 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.753 -2.174 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.154 -0.755 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.394 0.158 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.144 0.158 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.967 -0.645 -3.668 1.00 0.00 H new ATOM 1175 N ARG A 76 0.903 -5.056 -5.951 1.00 0.00 N ATOM 1176 CA ARG A 76 -0.175 -5.710 -6.733 1.00 0.00 C ATOM 1177 C ARG A 76 -0.677 -6.822 -5.880 1.00 0.00 C ATOM 1178 O ARG A 76 -1.844 -7.025 -5.730 1.00 0.00 O ATOM 1179 CB ARG A 76 0.278 -6.373 -8.058 1.00 0.00 C ATOM 1180 CG ARG A 76 0.001 -5.572 -9.271 1.00 0.00 C ATOM 1181 CD ARG A 76 0.931 -4.467 -9.280 1.00 0.00 C ATOM 1182 NE ARG A 76 0.363 -3.274 -9.957 1.00 0.00 N ATOM 1183 CZ ARG A 76 0.813 -2.013 -9.817 1.00 0.00 C ATOM 1184 NH1 ARG A 76 1.787 -1.739 -8.952 1.00 0.00 N ATOM 1185 NH2 ARG A 76 0.248 -1.023 -10.520 1.00 0.00 N ATOM 0 H ARG A 76 1.408 -5.753 -5.404 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.896 -4.934 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.349 -6.569 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.218 -7.339 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.119 -6.180 -10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.027 -5.209 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.200 -4.210 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.849 -4.769 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.432 -3.422 -10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.196 -2.486 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.124 -0.782 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.521 -1.226 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.586 -0.066 -10.416 1.00 0.00 H new ATOM 1199 N LEU A 77 0.270 -7.514 -5.304 1.00 0.00 N ATOM 1200 CA LEU A 77 0.056 -8.669 -4.473 1.00 0.00 C ATOM 1201 C LEU A 77 -0.774 -8.332 -3.312 1.00 0.00 C ATOM 1202 O LEU A 77 -1.911 -8.760 -3.178 1.00 0.00 O ATOM 1203 CB LEU A 77 1.389 -9.110 -3.934 1.00 0.00 C ATOM 1204 CG LEU A 77 1.408 -10.235 -2.973 1.00 0.00 C ATOM 1205 CD1 LEU A 77 2.394 -11.206 -3.392 1.00 0.00 C ATOM 1206 CD2 LEU A 77 1.891 -9.683 -1.729 1.00 0.00 C ATOM 0 H LEU A 77 1.257 -7.277 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.433 -9.439 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.019 -9.383 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.856 -8.251 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 77 0.424 -10.697 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.410 -12.036 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.139 -11.579 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.377 -10.736 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.929 -10.467 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.890 -9.273 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.219 -8.891 -1.397 1.00 0.00 H new ATOM 1218 N TYR A 78 -0.205 -7.505 -2.496 1.00 0.00 N ATOM 1219 CA TYR A 78 -0.795 -7.215 -1.265 1.00 0.00 C ATOM 1220 C TYR A 78 -1.839 -6.156 -1.486 1.00 0.00 C ATOM 1221 O TYR A 78 -2.723 -5.946 -0.696 1.00 0.00 O ATOM 1222 CB TYR A 78 0.283 -6.889 -0.198 1.00 0.00 C ATOM 1223 CG TYR A 78 0.416 -5.508 0.210 1.00 0.00 C ATOM 1224 CD1 TYR A 78 0.646 -4.536 -0.696 1.00 0.00 C ATOM 1225 CD2 TYR A 78 0.290 -5.184 1.510 1.00 0.00 C ATOM 1226 CE1 TYR A 78 0.727 -3.270 -0.329 1.00 0.00 C ATOM 1227 CE2 TYR A 78 0.384 -3.920 1.918 1.00 0.00 C ATOM 1228 CZ TYR A 78 0.597 -2.952 1.017 1.00 0.00 C ATOM 1229 OH TYR A 78 0.617 -1.674 1.442 1.00 0.00 O ATOM 0 H TYR A 78 0.676 -7.023 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.312 -8.079 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.069 -7.484 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.248 -7.222 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.766 -4.797 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.109 -5.963 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.892 -2.495 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.289 -3.677 2.966 1.00 0.00 H new ATOM 0 HH TYR A 78 1.534 -1.331 1.406 1.00 0.00 H new ATOM 1239 N THR A 79 -1.740 -5.519 -2.634 1.00 0.00 N ATOM 1240 CA THR A 79 -2.717 -4.473 -2.977 1.00 0.00 C ATOM 1241 C THR A 79 -3.995 -5.075 -3.536 1.00 0.00 C ATOM 1242 O THR A 79 -5.005 -4.408 -3.657 1.00 0.00 O ATOM 1243 CB THR A 79 -2.151 -3.455 -3.938 1.00 0.00 C ATOM 1244 OG1 THR A 79 -1.973 -4.024 -5.215 1.00 0.00 O ATOM 1245 CG2 THR A 79 -0.842 -3.049 -3.414 1.00 0.00 C ATOM 0 H THR A 79 -1.020 -5.690 -3.336 1.00 0.00 H new ATOM 0 HA THR A 79 -2.954 -3.952 -2.049 1.00 0.00 H new ATOM 0 HB THR A 79 -2.831 -2.608 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.789 -3.901 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.396 -2.311 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.966 -2.614 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.190 -3.920 -3.349 1.00 0.00 H new ATOM 1253 N SER A 80 -3.931 -6.336 -3.896 1.00 0.00 N ATOM 1254 CA SER A 80 -5.111 -7.056 -4.284 1.00 0.00 C ATOM 1255 C SER A 80 -5.787 -7.604 -3.045 1.00 0.00 C ATOM 1256 O SER A 80 -6.794 -8.311 -3.131 1.00 0.00 O ATOM 1257 CB SER A 80 -4.801 -8.179 -5.282 1.00 0.00 C ATOM 1258 OG SER A 80 -4.260 -7.651 -6.483 1.00 0.00 O ATOM 0 H SER A 80 -3.070 -6.881 -3.927 1.00 0.00 H new ATOM 0 HA SER A 80 -5.783 -6.366 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.096 -8.882 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.711 -8.737 -5.502 1.00 0.00 H new ATOM 0 HG SER A 80 -3.389 -7.241 -6.297 1.00 0.00 H new ATOM 1264 N SER A 81 -5.226 -7.288 -1.870 1.00 0.00 N ATOM 1265 CA SER A 81 -5.887 -7.647 -0.681 1.00 0.00 C ATOM 1266 C SER A 81 -7.016 -6.720 -0.479 1.00 0.00 C ATOM 1267 O SER A 81 -6.996 -5.593 -0.930 1.00 0.00 O ATOM 1268 CB SER A 81 -4.965 -7.633 0.506 1.00 0.00 C ATOM 1269 OG SER A 81 -5.659 -7.697 1.735 1.00 0.00 O ATOM 0 H SER A 81 -4.339 -6.798 -1.752 1.00 0.00 H new ATOM 0 HA SER A 81 -6.251 -8.670 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.278 -8.476 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.361 -6.726 0.481 1.00 0.00 H new ATOM 0 HG SER A 81 -5.936 -8.621 1.907 1.00 0.00 H new ATOM 1275 N TRP A 82 -7.965 -7.180 0.209 1.00 0.00 N ATOM 1276 CA TRP A 82 -9.160 -6.400 0.457 1.00 0.00 C ATOM 1277 C TRP A 82 -8.865 -5.406 1.451 1.00 0.00 C ATOM 1278 O TRP A 82 -9.142 -4.260 1.254 1.00 0.00 O ATOM 1279 CB TRP A 82 -10.349 -7.239 0.894 1.00 0.00 C ATOM 1280 CG TRP A 82 -11.571 -6.792 0.312 1.00 0.00 C ATOM 1281 CD1 TRP A 82 -11.686 -6.129 -0.816 1.00 0.00 C ATOM 1282 CD2 TRP A 82 -12.853 -7.026 0.756 1.00 0.00 C ATOM 1283 NE1 TRP A 82 -12.939 -5.832 -1.071 1.00 0.00 N ATOM 1284 CE2 TRP A 82 -13.694 -6.378 -0.138 1.00 0.00 C ATOM 1285 CE3 TRP A 82 -13.389 -7.685 1.828 1.00 0.00 C ATOM 1286 CZ2 TRP A 82 -15.009 -6.356 -0.007 1.00 0.00 C ATOM 1287 CZ3 TRP A 82 -14.729 -7.678 1.950 1.00 0.00 C ATOM 1288 CH2 TRP A 82 -15.522 -6.999 1.023 1.00 0.00 C ATOM 0 H TRP A 82 -7.968 -8.108 0.633 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.449 -5.935 -0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.177 -8.279 0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -10.434 -7.207 1.980 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.855 -5.862 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -13.272 -5.274 -1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -12.762 -8.191 2.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -15.637 -5.833 -0.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -15.195 -8.202 2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -16.594 -7.001 1.155 1.00 0.00 H new ATOM 1299 N ARG A 83 -8.253 -5.836 2.486 1.00 0.00 N ATOM 1300 CA ARG A 83 -7.898 -5.019 3.609 1.00 0.00 C ATOM 1301 C ARG A 83 -6.891 -3.959 3.274 1.00 0.00 C ATOM 1302 O ARG A 83 -6.550 -3.108 4.089 1.00 0.00 O ATOM 1303 CB ARG A 83 -7.543 -5.880 4.727 1.00 0.00 C ATOM 1304 CG ARG A 83 -6.365 -6.731 4.532 1.00 0.00 C ATOM 1305 CD ARG A 83 -6.397 -7.855 5.511 1.00 0.00 C ATOM 1306 NE ARG A 83 -6.016 -7.506 6.874 1.00 0.00 N ATOM 1307 CZ ARG A 83 -5.606 -8.432 7.765 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -5.466 -9.721 7.381 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -5.327 -8.074 9.030 1.00 0.00 N ATOM 0 H ARG A 83 -7.967 -6.809 2.591 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.762 -4.430 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.374 -5.254 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.396 -6.520 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.349 -7.121 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.455 -6.146 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.404 -8.271 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.733 -8.643 5.156 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.061 -6.529 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.670 -9.992 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.156 -10.423 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.425 -7.100 9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.017 -8.776 9.702 1.00 0.00 H new ATOM 1323 N TYR A 84 -6.424 -4.049 2.078 1.00 0.00 N ATOM 1324 CA TYR A 84 -5.758 -2.991 1.439 1.00 0.00 C ATOM 1325 C TYR A 84 -6.821 -1.895 1.183 1.00 0.00 C ATOM 1326 O TYR A 84 -6.862 -0.896 1.851 1.00 0.00 O ATOM 1327 CB TYR A 84 -5.181 -3.514 0.127 1.00 0.00 C ATOM 1328 CG TYR A 84 -4.734 -2.465 -0.854 1.00 0.00 C ATOM 1329 CD1 TYR A 84 -3.461 -1.861 -0.854 1.00 0.00 C ATOM 1330 CD2 TYR A 84 -5.629 -2.078 -1.814 1.00 0.00 C ATOM 1331 CE1 TYR A 84 -3.164 -0.935 -1.792 1.00 0.00 C ATOM 1332 CE2 TYR A 84 -5.318 -1.143 -2.751 1.00 0.00 C ATOM 1333 CZ TYR A 84 -4.076 -0.571 -2.741 1.00 0.00 C ATOM 1334 OH TYR A 84 -3.737 0.370 -3.689 1.00 0.00 O ATOM 0 H TYR A 84 -6.502 -4.891 1.508 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.940 -2.585 2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.331 -4.157 0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.932 -4.139 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.728 -2.136 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.611 -2.528 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.187 -0.474 -1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.045 -0.855 -3.496 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.545 1.224 -3.248 1.00 0.00 H new ATOM 1344 N LEU A 85 -7.777 -2.208 0.325 1.00 0.00 N ATOM 1345 CA LEU A 85 -8.779 -1.245 -0.157 1.00 0.00 C ATOM 1346 C LEU A 85 -9.903 -0.902 0.722 1.00 0.00 C ATOM 1347 O LEU A 85 -10.817 -0.208 0.292 1.00 0.00 O ATOM 1348 CB LEU A 85 -9.321 -1.440 -1.536 1.00 0.00 C ATOM 1349 CG LEU A 85 -10.026 -2.695 -2.002 1.00 0.00 C ATOM 1350 CD1 LEU A 85 -9.093 -3.807 -2.066 1.00 0.00 C ATOM 1351 CD2 LEU A 85 -11.185 -3.020 -1.101 1.00 0.00 C ATOM 0 H LEU A 85 -7.889 -3.143 -0.066 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.092 -0.399 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.017 -0.619 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.482 -1.293 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.417 -2.519 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.616 -4.702 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.292 -3.570 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.670 -3.985 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.678 -3.926 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.823 -3.177 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.896 -2.194 -1.110 1.00 0.00 H new ATOM 1363 N TYR A 86 -9.835 -1.305 1.904 1.00 0.00 N ATOM 1364 CA TYR A 86 -10.812 -1.013 2.908 1.00 0.00 C ATOM 1365 C TYR A 86 -10.957 0.497 3.052 1.00 0.00 C ATOM 1366 O TYR A 86 -11.952 1.028 3.531 1.00 0.00 O ATOM 1367 CB TYR A 86 -10.287 -1.568 4.135 1.00 0.00 C ATOM 1368 CG TYR A 86 -10.630 -2.963 4.433 1.00 0.00 C ATOM 1369 CD1 TYR A 86 -10.830 -3.799 3.423 1.00 0.00 C ATOM 1370 CD2 TYR A 86 -10.809 -3.431 5.727 1.00 0.00 C ATOM 1371 CE1 TYR A 86 -11.205 -5.062 3.608 1.00 0.00 C ATOM 1372 CE2 TYR A 86 -11.180 -4.733 5.952 1.00 0.00 C ATOM 1373 CZ TYR A 86 -11.387 -5.555 4.873 1.00 0.00 C ATOM 1374 OH TYR A 86 -11.789 -6.843 5.055 1.00 0.00 O ATOM 0 H TYR A 86 -9.066 -1.881 2.246 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.789 -1.427 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.201 -1.484 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.634 -0.949 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.683 -3.442 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.655 -2.765 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -11.367 -5.703 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.307 -5.103 6.959 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.699 -6.853 5.420 1.00 0.00 H new ATOM 1384 N GLY A 87 -9.911 1.137 2.620 1.00 0.00 N ATOM 1385 CA GLY A 87 -9.836 2.520 2.486 1.00 0.00 C ATOM 1386 C GLY A 87 -8.795 2.870 1.555 1.00 0.00 C ATOM 1387 O GLY A 87 -7.849 3.394 1.935 1.00 0.00 O ATOM 0 H GLY A 87 -9.053 0.661 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.792 2.912 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.637 2.977 3.455 1.00 0.00 H new ATOM 1391 N VAL A 88 -8.984 2.548 0.293 1.00 0.00 N ATOM 1392 CA VAL A 88 -8.090 2.922 -0.764 1.00 0.00 C ATOM 1393 C VAL A 88 -8.914 3.272 -1.998 1.00 0.00 C ATOM 1394 O VAL A 88 -9.597 2.410 -2.548 1.00 0.00 O ATOM 1395 CB VAL A 88 -7.205 1.802 -1.271 1.00 0.00 C ATOM 1396 CG1 VAL A 88 -6.263 2.354 -2.343 1.00 0.00 C ATOM 1397 CG2 VAL A 88 -6.432 1.231 -0.191 1.00 0.00 C ATOM 0 H VAL A 88 -9.786 2.005 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.486 3.724 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.834 1.019 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.623 1.553 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.849 2.760 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.646 3.143 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.804 0.429 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.803 2.002 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.106 0.831 0.567 1.00 0.00 H new ATOM 1407 N LYS A 89 -8.861 4.468 -2.425 1.00 0.00 N ATOM 1408 CA LYS A 89 -9.424 4.870 -3.672 1.00 0.00 C ATOM 1409 C LYS A 89 -8.683 6.153 -4.062 1.00 0.00 C ATOM 1410 O LYS A 89 -7.897 6.113 -4.995 1.00 0.00 O ATOM 1411 CB LYS A 89 -10.996 4.927 -3.660 1.00 0.00 C ATOM 1412 CG LYS A 89 -11.639 5.277 -4.999 1.00 0.00 C ATOM 1413 CD LYS A 89 -12.046 4.047 -5.863 1.00 0.00 C ATOM 1414 CE LYS A 89 -10.911 3.054 -6.200 1.00 0.00 C ATOM 1415 NZ LYS A 89 -10.579 2.128 -5.073 1.00 0.00 N ATOM 0 H LYS A 89 -8.414 5.227 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.273 4.129 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.377 3.960 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.312 5.661 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.525 5.884 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.945 5.893 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.834 3.505 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.475 4.409 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.199 2.466 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.018 3.614 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.035 1.320 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.013 2.635 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.458 1.785 -4.635 1.00 0.00 H new ATOM 1429 N PRO A 90 -8.878 7.300 -3.352 1.00 0.00 N ATOM 1430 CA PRO A 90 -7.939 8.378 -3.423 1.00 0.00 C ATOM 1431 C PRO A 90 -6.889 8.238 -2.305 1.00 0.00 C ATOM 1432 O PRO A 90 -6.282 7.162 -2.166 1.00 0.00 O ATOM 1433 CB PRO A 90 -8.797 9.630 -3.323 1.00 0.00 C ATOM 1434 CG PRO A 90 -10.140 9.179 -2.835 1.00 0.00 C ATOM 1435 CD PRO A 90 -10.053 7.708 -2.584 1.00 0.00 C ATOM 0 HA PRO A 90 -7.352 8.401 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.355 10.351 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.880 10.123 -4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.415 9.709 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.910 9.397 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.935 7.488 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.951 7.190 -2.919 1.00 0.00 H new ATOM 1443 N GLY A 91 -6.754 9.253 -1.423 1.00 0.00 N ATOM 1444 CA GLY A 91 -5.718 9.331 -0.422 1.00 0.00 C ATOM 1445 C GLY A 91 -5.986 8.503 0.788 1.00 0.00 C ATOM 1446 O GLY A 91 -5.547 8.696 1.891 1.00 0.00 O ATOM 0 H GLY A 91 -7.389 10.051 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.773 9.015 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.596 10.371 -0.119 1.00 0.00 H new ATOM 1450 N ALA A 92 -6.710 7.610 0.495 1.00 0.00 N ATOM 1451 CA ALA A 92 -7.216 6.561 1.322 1.00 0.00 C ATOM 1452 C ALA A 92 -6.127 5.731 1.810 1.00 0.00 C ATOM 1453 O ALA A 92 -6.167 5.215 2.921 1.00 0.00 O ATOM 1454 CB ALA A 92 -8.136 5.832 0.483 1.00 0.00 C ATOM 0 H ALA A 92 -7.055 7.521 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.720 6.931 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.568 5.007 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.931 6.499 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.605 5.439 -0.384 1.00 0.00 H new ATOM 1460 N THR A 93 -5.186 5.640 0.971 1.00 0.00 N ATOM 1461 CA THR A 93 -3.912 5.101 1.225 1.00 0.00 C ATOM 1462 C THR A 93 -3.414 5.536 2.618 1.00 0.00 C ATOM 1463 O THR A 93 -3.031 4.732 3.461 1.00 0.00 O ATOM 1464 CB THR A 93 -2.944 5.682 0.167 1.00 0.00 C ATOM 1465 OG1 THR A 93 -1.624 5.545 0.543 1.00 0.00 O ATOM 1466 CG2 THR A 93 -3.273 7.086 -0.140 1.00 0.00 C ATOM 0 H THR A 93 -5.288 5.965 0.009 1.00 0.00 H new ATOM 0 HA THR A 93 -3.957 4.013 1.184 1.00 0.00 H new ATOM 0 HB THR A 93 -3.076 5.100 -0.745 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.095 6.271 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.576 7.468 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.290 7.145 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.196 7.685 0.768 1.00 0.00 H new ATOM 1474 N ARG A 94 -3.534 6.832 2.858 1.00 0.00 N ATOM 1475 CA ARG A 94 -2.981 7.495 3.973 1.00 0.00 C ATOM 1476 C ARG A 94 -1.467 7.404 3.983 1.00 0.00 C ATOM 1477 O ARG A 94 -0.851 7.692 5.011 1.00 0.00 O ATOM 1478 CB ARG A 94 -3.494 6.992 5.285 1.00 0.00 C ATOM 1479 CG ARG A 94 -4.780 7.622 5.833 1.00 0.00 C ATOM 1480 CD ARG A 94 -6.060 7.095 5.182 1.00 0.00 C ATOM 1481 NE ARG A 94 -7.255 7.632 5.853 1.00 0.00 N ATOM 1482 CZ ARG A 94 -8.509 7.282 5.582 1.00 0.00 C ATOM 1483 NH1 ARG A 94 -8.758 6.359 4.630 1.00 0.00 N ATOM 1484 NH2 ARG A 94 -9.510 7.819 6.285 1.00 0.00 N ATOM 0 H ARG A 94 -4.048 7.457 2.237 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.296 8.533 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.659 5.919 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.709 7.131 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.831 7.442 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.732 8.702 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.076 7.371 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.073 6.006 5.226 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.110 8.328 6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.985 5.931 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.719 6.089 4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.310 8.493 7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.474 7.555 6.083 1.00 0.00 H new ATOM 1498 N VAL A 95 -0.852 6.930 2.867 1.00 0.00 N ATOM 1499 CA VAL A 95 0.558 6.810 2.764 1.00 0.00 C ATOM 1500 C VAL A 95 1.146 7.008 1.303 1.00 0.00 C ATOM 1501 O VAL A 95 0.541 6.803 0.243 1.00 0.00 O ATOM 1502 CB VAL A 95 1.126 5.490 3.337 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.200 4.840 4.264 1.00 0.00 C ATOM 1504 CG2 VAL A 95 1.592 4.606 2.247 1.00 0.00 C ATOM 0 H VAL A 95 -1.355 6.630 2.032 1.00 0.00 H new ATOM 0 HA VAL A 95 0.890 7.644 3.382 1.00 0.00 H new ATOM 0 HB VAL A 95 2.000 5.731 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.646 3.918 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.007 5.508 5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.731 4.609 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.988 3.683 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.757 4.373 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.375 5.110 1.680 1.00 0.00 H new ATOM 1514 N ASP A 96 2.231 7.506 1.416 1.00 0.00 N ATOM 1515 CA ASP A 96 3.349 7.569 0.581 1.00 0.00 C ATOM 1516 C ASP A 96 4.304 7.075 1.627 1.00 0.00 C ATOM 1517 O ASP A 96 3.853 6.802 2.771 1.00 0.00 O ATOM 1518 CB ASP A 96 3.673 9.025 0.111 1.00 0.00 C ATOM 1519 CG ASP A 96 3.803 10.057 1.222 1.00 0.00 C ATOM 1520 OD1 ASP A 96 3.909 11.257 0.910 1.00 0.00 O ATOM 1521 OD2 ASP A 96 3.701 9.688 2.418 1.00 0.00 O ATOM 0 H ASP A 96 2.440 8.002 2.283 1.00 0.00 H new ATOM 0 HA ASP A 96 3.307 7.037 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.604 9.007 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.890 9.350 -0.574 1.00 0.00 H new ATOM 1526 N LEU A 97 5.461 6.865 1.364 1.00 0.00 N ATOM 1527 CA LEU A 97 6.275 6.328 2.309 1.00 0.00 C ATOM 1528 C LEU A 97 6.779 7.179 3.476 1.00 0.00 C ATOM 1529 O LEU A 97 7.641 6.759 4.250 1.00 0.00 O ATOM 1530 CB LEU A 97 7.130 5.394 1.683 1.00 0.00 C ATOM 1531 CG LEU A 97 6.404 4.711 0.617 1.00 0.00 C ATOM 1532 CD1 LEU A 97 7.172 4.712 -0.600 1.00 0.00 C ATOM 1533 CD2 LEU A 97 6.244 3.445 0.997 1.00 0.00 C ATOM 0 H LEU A 97 5.902 7.060 0.465 1.00 0.00 H new ATOM 0 HA LEU A 97 5.647 5.784 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.005 5.901 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.493 4.670 2.413 1.00 0.00 H new ATOM 0 HG LEU A 97 5.453 5.214 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.614 4.198 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.366 5.740 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.119 4.199 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.703 2.899 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.220 2.985 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.677 3.413 1.928 1.00 0.00 H new ATOM 1545 N ASP A 98 6.135 8.315 3.647 1.00 0.00 N ATOM 1546 CA ASP A 98 6.237 9.139 4.785 1.00 0.00 C ATOM 1547 C ASP A 98 4.954 8.908 5.593 1.00 0.00 C ATOM 1548 O ASP A 98 4.933 8.905 6.840 1.00 0.00 O ATOM 1549 CB ASP A 98 6.376 10.597 4.347 1.00 0.00 C ATOM 1550 CG ASP A 98 7.791 10.937 3.913 1.00 0.00 C ATOM 1551 OD1 ASP A 98 8.616 11.302 4.771 1.00 0.00 O ATOM 1552 OD2 ASP A 98 8.115 10.792 2.708 1.00 0.00 O ATOM 0 H ASP A 98 5.497 8.689 2.944 1.00 0.00 H new ATOM 0 HA ASP A 98 7.112 8.906 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.689 10.794 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.084 11.250 5.169 1.00 0.00 H new ATOM 1557 N GLY A 99 3.895 8.608 4.857 1.00 0.00 N ATOM 1558 CA GLY A 99 2.630 8.296 5.404 1.00 0.00 C ATOM 1559 C GLY A 99 1.591 9.426 5.235 1.00 0.00 C ATOM 1560 O GLY A 99 0.794 9.691 6.141 1.00 0.00 O ATOM 0 H GLY A 99 3.916 8.580 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.251 7.391 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.746 8.075 6.465 1.00 0.00 H new ATOM 1564 N ASN A 100 1.624 10.049 4.086 1.00 0.00 N ATOM 1565 CA ASN A 100 0.703 11.067 3.592 1.00 0.00 C ATOM 1566 C ASN A 100 -0.198 10.323 2.727 1.00 0.00 C ATOM 1567 O ASN A 100 0.220 9.424 2.216 1.00 0.00 O ATOM 1568 CB ASN A 100 1.518 11.932 2.714 1.00 0.00 C ATOM 1569 CG ASN A 100 2.248 12.975 3.337 1.00 0.00 C ATOM 1570 OD1 ASN A 100 1.835 13.589 4.319 1.00 0.00 O ATOM 1571 ND2 ASN A 100 3.350 13.178 2.800 1.00 0.00 N ATOM 0 H ASN A 100 2.356 9.847 3.405 1.00 0.00 H new ATOM 0 HA ASN A 100 0.190 11.636 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.224 11.299 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.858 12.378 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.975 13.892 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.629 12.630 1.986 1.00 0.00 H new ATOM 1578 N PRO A 101 -1.412 10.731 2.467 1.00 0.00 N ATOM 1579 CA PRO A 101 -2.445 9.929 1.755 1.00 0.00 C ATOM 1580 C PRO A 101 -2.166 9.884 0.308 1.00 0.00 C ATOM 1581 O PRO A 101 -2.938 10.332 -0.492 1.00 0.00 O ATOM 1582 CB PRO A 101 -3.673 10.785 2.043 1.00 0.00 C ATOM 1583 CG PRO A 101 -3.234 11.631 3.184 1.00 0.00 C ATOM 1584 CD PRO A 101 -1.929 12.007 2.727 1.00 0.00 C ATOM 0 HA PRO A 101 -2.520 8.886 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.956 11.388 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.538 10.175 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.885 12.491 3.340 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.204 11.080 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.960 12.638 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.358 12.547 3.482 1.00 0.00 H new ATOM 1592 N CYS A 102 -0.999 9.339 0.001 1.00 0.00 N ATOM 1593 CA CYS A 102 -0.288 9.528 -1.262 1.00 0.00 C ATOM 1594 C CYS A 102 -0.129 11.065 -1.518 1.00 0.00 C ATOM 1595 O CYS A 102 0.291 11.536 -2.564 1.00 0.00 O ATOM 1596 CB CYS A 102 -0.869 8.641 -2.421 1.00 0.00 C ATOM 1597 SG CYS A 102 -0.469 9.119 -4.117 1.00 0.00 S ATOM 0 H CYS A 102 -0.499 8.729 0.647 1.00 0.00 H new ATOM 0 HA CYS A 102 0.730 9.141 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.522 7.619 -2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.954 8.627 -2.322 1.00 0.00 H new ATOM 0 HG CYS A 102 0.027 10.320 -4.124 1.00 0.00 H new ATOM 1603 N GLY A 103 -0.485 11.793 -0.423 1.00 0.00 N ATOM 1604 CA GLY A 103 -0.473 13.245 -0.263 1.00 0.00 C ATOM 1605 C GLY A 103 -1.533 13.872 -1.075 1.00 0.00 C ATOM 1606 O GLY A 103 -1.573 15.067 -1.317 1.00 0.00 O ATOM 0 H GLY A 103 -0.810 11.329 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.614 13.500 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.499 13.640 -0.559 1.00 0.00 H new ATOM 1610 N GLU A 104 -2.366 13.026 -1.439 1.00 0.00 N ATOM 1611 CA GLU A 104 -3.437 13.221 -2.310 1.00 0.00 C ATOM 1612 C GLU A 104 -4.715 13.648 -1.586 1.00 0.00 C ATOM 1613 O GLU A 104 -5.455 14.502 -2.083 1.00 0.00 O ATOM 1614 CB GLU A 104 -3.569 11.900 -3.043 1.00 0.00 C ATOM 1615 CG GLU A 104 -4.862 11.202 -2.982 1.00 0.00 C ATOM 1616 CD GLU A 104 -4.791 9.981 -3.809 1.00 0.00 C ATOM 1617 OE1 GLU A 104 -5.438 9.905 -4.861 1.00 0.00 O ATOM 1618 OE2 GLU A 104 -4.067 9.033 -3.419 1.00 0.00 O ATOM 0 H GLU A 104 -2.321 12.064 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.263 14.045 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.334 12.076 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.807 11.225 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.102 10.944 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.659 11.854 -3.341 1.00 0.00 H new ATOM 1625 N LEU A 105 -5.000 13.079 -0.420 1.00 0.00 N ATOM 1626 CA LEU A 105 -6.205 13.417 0.191 1.00 0.00 C ATOM 1627 C LEU A 105 -6.063 13.727 1.702 1.00 0.00 C ATOM 1628 O LEU A 105 -5.022 13.632 2.264 1.00 0.00 O ATOM 1629 CB LEU A 105 -7.229 12.313 -0.163 1.00 0.00 C ATOM 1630 CG LEU A 105 -8.687 12.695 -0.043 1.00 0.00 C ATOM 1631 CD1 LEU A 105 -9.558 11.880 -0.905 1.00 0.00 C ATOM 1632 CD2 LEU A 105 -9.064 12.477 1.291 1.00 0.00 C ATOM 0 H LEU A 105 -4.414 12.409 0.078 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.575 14.367 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.043 11.988 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.045 11.454 0.483 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.799 13.734 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.593 12.197 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.263 12.009 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.464 10.830 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.113 12.742 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.921 11.426 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.451 13.094 1.948 1.00 0.00 H new ATOM 1644 N ASP A 106 -7.117 14.254 2.221 1.00 0.00 N ATOM 1645 CA ASP A 106 -7.496 14.442 3.612 1.00 0.00 C ATOM 1646 C ASP A 106 -7.877 13.016 4.108 1.00 0.00 C ATOM 1647 O ASP A 106 -7.247 12.027 3.711 1.00 0.00 O ATOM 1648 CB ASP A 106 -8.744 15.411 3.449 1.00 0.00 C ATOM 1649 CG ASP A 106 -9.822 15.421 4.474 1.00 0.00 C ATOM 1650 OD1 ASP A 106 -9.547 15.454 5.644 1.00 0.00 O ATOM 1651 OD2 ASP A 106 -10.987 15.306 4.048 1.00 0.00 O ATOM 0 H ASP A 106 -7.845 14.619 1.607 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.769 14.853 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.357 16.427 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.210 15.179 2.492 1.00 0.00 H new ATOM 1656 N GLU A 107 -8.829 12.895 4.916 1.00 0.00 N ATOM 1657 CA GLU A 107 -9.356 11.609 5.233 1.00 0.00 C ATOM 1658 C GLU A 107 -10.859 11.562 5.169 1.00 0.00 C ATOM 1659 O GLU A 107 -11.439 10.495 5.174 1.00 0.00 O ATOM 1660 CB GLU A 107 -8.883 11.144 6.522 1.00 0.00 C ATOM 1661 CG GLU A 107 -9.812 11.525 7.627 1.00 0.00 C ATOM 1662 CD GLU A 107 -10.038 10.350 8.552 1.00 0.00 C ATOM 1663 OE1 GLU A 107 -9.237 9.373 8.491 1.00 0.00 O ATOM 1664 OE2 GLU A 107 -11.094 10.285 9.209 1.00 0.00 O ATOM 0 H GLU A 107 -9.284 13.674 5.392 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.983 10.932 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.772 10.060 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.895 11.561 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.397 12.363 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.763 11.858 7.213 1.00 0.00 H new ATOM 1671 N GLN A 108 -11.451 12.681 5.018 1.00 0.00 N ATOM 1672 CA GLN A 108 -12.850 12.819 4.957 1.00 0.00 C ATOM 1673 C GLN A 108 -13.211 12.744 3.559 1.00 0.00 C ATOM 1674 O GLN A 108 -14.361 12.918 3.134 1.00 0.00 O ATOM 1675 CB GLN A 108 -13.299 14.079 5.609 1.00 0.00 C ATOM 1676 CG GLN A 108 -14.769 14.070 5.876 1.00 0.00 C ATOM 1677 CD GLN A 108 -15.245 15.209 6.761 1.00 0.00 C ATOM 1678 OE1 GLN A 108 -14.400 15.671 7.655 1.00 0.00 O flip ATOM 1679 NE2 GLN A 108 -16.365 15.673 6.640 1.00 0.00 N flip ATOM 0 H GLN A 108 -10.951 13.566 4.930 1.00 0.00 H new ATOM 0 HA GLN A 108 -13.354 12.026 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -12.760 14.216 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -13.050 14.927 4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -15.300 14.116 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -15.037 13.123 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -17.000 15.295 5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -16.667 16.440 7.241 1.00 0.00 H new ATOM 1688 N HIS A 109 -12.229 12.448 2.772 1.00 0.00 N ATOM 1689 CA HIS A 109 -12.537 12.210 1.462 1.00 0.00 C ATOM 1690 C HIS A 109 -12.132 10.856 1.101 1.00 0.00 C ATOM 1691 O HIS A 109 -12.688 10.234 0.213 1.00 0.00 O ATOM 1692 CB HIS A 109 -12.023 13.257 0.596 1.00 0.00 C ATOM 1693 CG HIS A 109 -12.365 14.702 0.994 1.00 0.00 C ATOM 1694 ND1 HIS A 109 -13.605 15.101 1.458 1.00 0.00 N ATOM 1695 CD2 HIS A 109 -11.578 15.803 1.077 1.00 0.00 C ATOM 1696 CE1 HIS A 109 -13.560 16.372 1.804 1.00 0.00 C ATOM 1697 NE2 HIS A 109 -12.341 16.825 1.588 1.00 0.00 N ATOM 0 H HIS A 109 -11.245 12.374 3.032 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.617 12.252 1.317 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.938 13.162 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.399 13.082 -0.412 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -14.429 14.503 1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -10.538 15.865 0.792 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.385 16.947 2.199 1.00 0.00 H new ATOM 1706 N VAL A 110 -11.243 10.360 1.852 1.00 0.00 N ATOM 1707 CA VAL A 110 -10.893 9.010 1.724 1.00 0.00 C ATOM 1708 C VAL A 110 -11.668 8.225 2.694 1.00 0.00 C ATOM 1709 O VAL A 110 -11.436 7.074 2.997 1.00 0.00 O ATOM 1710 CB VAL A 110 -9.485 8.753 1.785 1.00 0.00 C ATOM 1711 CG1 VAL A 110 -9.020 9.295 0.568 1.00 0.00 C ATOM 1712 CG2 VAL A 110 -8.850 9.448 2.895 1.00 0.00 C ATOM 0 H VAL A 110 -10.736 10.874 2.573 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.154 8.692 0.715 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.265 7.695 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.941 9.158 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.506 8.788 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.253 10.359 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.783 9.224 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.994 10.522 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.296 9.119 3.833 1.00 0.00 H new ATOM 1722 N GLU A 111 -12.547 8.946 3.168 1.00 0.00 N ATOM 1723 CA GLU A 111 -13.642 8.588 3.933 1.00 0.00 C ATOM 1724 C GLU A 111 -14.527 7.777 3.089 1.00 0.00 C ATOM 1725 O GLU A 111 -15.064 6.773 3.493 1.00 0.00 O ATOM 1726 CB GLU A 111 -14.314 9.879 4.389 1.00 0.00 C ATOM 1727 CG GLU A 111 -15.614 9.661 5.088 1.00 0.00 C ATOM 1728 CD GLU A 111 -16.825 9.741 4.119 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -17.256 10.849 3.770 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -17.303 8.692 3.629 1.00 0.00 O ATOM 0 H GLU A 111 -12.524 9.954 3.013 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.375 8.002 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.638 10.415 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.480 10.518 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.604 8.685 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.731 10.407 5.874 1.00 0.00 H new ATOM 1737 N HIS A 112 -14.611 8.191 1.876 1.00 0.00 N ATOM 1738 CA HIS A 112 -15.427 7.532 0.918 1.00 0.00 C ATOM 1739 C HIS A 112 -14.739 6.330 0.427 1.00 0.00 C ATOM 1740 O HIS A 112 -15.324 5.472 -0.159 1.00 0.00 O ATOM 1741 CB HIS A 112 -15.731 8.456 -0.203 1.00 0.00 C ATOM 1742 CG HIS A 112 -16.478 9.712 0.208 1.00 0.00 C ATOM 1743 ND1 HIS A 112 -17.783 9.982 -0.139 1.00 0.00 N ATOM 1744 CD2 HIS A 112 -16.093 10.734 1.000 1.00 0.00 C ATOM 1745 CE1 HIS A 112 -18.160 11.115 0.448 1.00 0.00 C ATOM 1746 NE2 HIS A 112 -17.148 11.582 1.149 1.00 0.00 N ATOM 0 H HIS A 112 -14.111 9.004 1.516 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.366 7.231 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.797 8.744 -0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -16.322 7.923 -0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.115 10.858 1.441 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -19.134 11.575 0.364 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.153 12.435 1.709 1.00 0.00 H new ATOM 1755 N ALA A 113 -13.516 6.296 0.672 1.00 0.00 N ATOM 1756 CA ALA A 113 -12.732 5.229 0.358 1.00 0.00 C ATOM 1757 C ALA A 113 -12.800 4.245 1.435 1.00 0.00 C ATOM 1758 O ALA A 113 -12.737 3.049 1.222 1.00 0.00 O ATOM 1759 CB ALA A 113 -11.412 5.695 0.225 1.00 0.00 C ATOM 0 H ALA A 113 -13.013 7.060 1.123 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.067 4.761 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.756 4.862 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.368 6.444 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -11.087 6.141 1.165 1.00 0.00 H new ATOM 1765 N ARG A 114 -12.955 4.787 2.587 1.00 0.00 N ATOM 1766 CA ARG A 114 -13.102 4.070 3.761 1.00 0.00 C ATOM 1767 C ARG A 114 -14.462 3.378 3.714 1.00 0.00 C ATOM 1768 O ARG A 114 -14.729 2.446 4.453 1.00 0.00 O ATOM 1769 CB ARG A 114 -13.012 5.028 4.965 1.00 0.00 C ATOM 1770 CG ARG A 114 -12.925 4.327 6.325 1.00 0.00 C ATOM 1771 CD ARG A 114 -12.362 5.236 7.417 1.00 0.00 C ATOM 1772 NE ARG A 114 -13.057 6.535 7.547 1.00 0.00 N ATOM 1773 CZ ARG A 114 -12.509 7.623 8.146 1.00 0.00 C ATOM 1774 NH1 ARG A 114 -11.341 7.521 8.767 1.00 0.00 N ATOM 1775 NH2 ARG A 114 -13.131 8.794 8.154 1.00 0.00 N ATOM 0 H ARG A 114 -12.982 5.797 2.724 1.00 0.00 H new ATOM 0 HA ARG A 114 -12.314 3.325 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -12.137 5.666 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.885 5.680 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -13.918 3.985 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -12.296 3.441 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.414 4.712 8.372 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.308 5.421 7.212 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.999 6.618 7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -10.855 6.625 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.930 8.339 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.041 8.891 7.704 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -12.699 9.598 8.611 1.00 0.00 H new ATOM 1789 N LYS A 115 -15.330 3.857 2.811 1.00 0.00 N ATOM 1790 CA LYS A 115 -16.568 3.353 2.699 1.00 0.00 C ATOM 1791 C LYS A 115 -16.700 2.613 1.424 1.00 0.00 C ATOM 1792 O LYS A 115 -17.607 1.861 1.289 1.00 0.00 O ATOM 1793 CB LYS A 115 -17.565 4.455 2.783 1.00 0.00 C ATOM 1794 CG LYS A 115 -18.041 5.026 1.469 1.00 0.00 C ATOM 1795 CD LYS A 115 -19.497 5.394 1.578 1.00 0.00 C ATOM 1796 CE LYS A 115 -19.744 6.223 2.839 1.00 0.00 C ATOM 1797 NZ LYS A 115 -19.450 7.663 2.693 1.00 0.00 N ATOM 0 H LYS A 115 -15.121 4.616 2.163 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.754 2.655 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.433 4.090 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.132 5.264 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.452 5.905 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.898 4.298 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.803 5.959 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.106 4.490 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.786 6.106 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.134 5.821 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.612 7.906 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.266 7.880 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -20.264 8.219 3.024 1.00 0.00 H new ATOM 1811 N GLN A 116 -15.800 2.832 0.457 1.00 0.00 N ATOM 1812 CA GLN A 116 -15.918 2.081 -0.755 1.00 0.00 C ATOM 1813 C GLN A 116 -15.728 0.560 -0.574 1.00 0.00 C ATOM 1814 O GLN A 116 -16.000 -0.240 -1.458 1.00 0.00 O ATOM 1815 CB GLN A 116 -15.217 2.706 -1.946 1.00 0.00 C ATOM 1816 CG GLN A 116 -13.781 2.912 -1.706 1.00 0.00 C ATOM 1817 CD GLN A 116 -12.928 1.714 -2.100 1.00 0.00 C ATOM 1818 OE1 GLN A 116 -12.433 1.643 -3.229 1.00 0.00 O ATOM 1819 NE2 GLN A 116 -12.826 0.747 -1.256 1.00 0.00 N ATOM 0 H GLN A 116 -15.025 3.494 0.502 1.00 0.00 H new ATOM 0 HA GLN A 116 -16.968 2.157 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -15.349 2.066 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.685 3.663 -2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.448 3.786 -2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.624 3.130 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.245 0.832 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.327 -0.104 -1.514 1.00 0.00 H new ATOM 1828 N LEU A 117 -15.231 0.183 0.576 1.00 0.00 N ATOM 1829 CA LEU A 117 -15.200 -1.130 0.978 1.00 0.00 C ATOM 1830 C LEU A 117 -16.534 -1.542 1.557 1.00 0.00 C ATOM 1831 O LEU A 117 -16.886 -2.659 1.444 1.00 0.00 O ATOM 1832 CB LEU A 117 -14.018 -1.473 1.884 1.00 0.00 C ATOM 1833 CG LEU A 117 -14.230 -2.702 2.593 1.00 0.00 C ATOM 1834 CD1 LEU A 117 -13.494 -3.712 1.873 1.00 0.00 C ATOM 1835 CD2 LEU A 117 -13.903 -2.587 4.068 1.00 0.00 C ATOM 0 H LEU A 117 -14.832 0.832 1.255 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.028 -1.730 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -13.111 -1.551 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.860 -0.664 2.597 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.283 -2.982 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -13.618 -4.675 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -13.870 -3.778 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.437 -3.447 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.081 -3.545 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -12.856 -2.308 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.536 -1.825 4.523 1.00 0.00 H new ATOM 1847 N GLU A 118 -17.324 -0.622 2.053 1.00 0.00 N ATOM 1848 CA GLU A 118 -18.632 -0.946 2.516 1.00 0.00 C ATOM 1849 C GLU A 118 -19.571 -0.879 1.317 1.00 0.00 C ATOM 1850 O GLU A 118 -20.744 -1.103 1.389 1.00 0.00 O ATOM 1851 CB GLU A 118 -19.087 -0.078 3.705 1.00 0.00 C ATOM 1852 CG GLU A 118 -20.394 -0.550 4.357 1.00 0.00 C ATOM 1853 CD GLU A 118 -20.310 -1.986 4.856 1.00 0.00 C ATOM 1854 OE1 GLU A 118 -20.442 -2.930 4.034 1.00 0.00 O ATOM 1855 OE2 GLU A 118 -20.071 -2.195 6.060 1.00 0.00 O ATOM 0 H GLU A 118 -17.072 0.362 2.143 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.640 -1.956 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -18.299 -0.070 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.213 0.950 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -20.638 0.108 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -21.207 -0.466 3.636 1.00 0.00 H new ATOM 1862 N GLU A 119 -18.962 -0.612 0.211 1.00 0.00 N ATOM 1863 CA GLU A 119 -19.598 -0.644 -1.048 1.00 0.00 C ATOM 1864 C GLU A 119 -19.316 -2.000 -1.579 1.00 0.00 C ATOM 1865 O GLU A 119 -20.118 -2.644 -2.228 1.00 0.00 O ATOM 1866 CB GLU A 119 -18.986 0.360 -1.975 1.00 0.00 C ATOM 1867 CG GLU A 119 -19.107 1.752 -1.482 1.00 0.00 C ATOM 1868 CD GLU A 119 -20.520 2.287 -1.382 1.00 0.00 C ATOM 1869 OE1 GLU A 119 -20.851 2.883 -0.322 1.00 0.00 O ATOM 1870 OE2 GLU A 119 -21.280 2.146 -2.356 1.00 0.00 O ATOM 0 H GLU A 119 -17.975 -0.358 0.165 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.661 -0.420 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -17.932 0.121 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -19.464 0.283 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.644 1.812 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.536 2.404 -2.143 1.00 0.00 H new ATOM 1877 N ALA A 120 -18.097 -2.418 -1.288 1.00 0.00 N ATOM 1878 CA ALA A 120 -17.605 -3.675 -1.638 1.00 0.00 C ATOM 1879 C ALA A 120 -18.269 -4.765 -0.881 1.00 0.00 C ATOM 1880 O ALA A 120 -18.881 -5.591 -1.441 1.00 0.00 O ATOM 1881 CB ALA A 120 -16.118 -3.692 -1.529 1.00 0.00 C ATOM 0 H ALA A 120 -17.422 -1.845 -0.781 1.00 0.00 H new ATOM 0 HA ALA A 120 -17.851 -3.870 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -15.744 -4.678 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -15.695 -2.944 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.826 -3.467 -0.503 1.00 0.00 H new ATOM 1887 N LYS A 121 -18.179 -4.672 0.358 1.00 0.00 N ATOM 1888 CA LYS A 121 -18.717 -5.548 1.345 1.00 0.00 C ATOM 1889 C LYS A 121 -20.100 -5.814 1.163 1.00 0.00 C ATOM 1890 O LYS A 121 -20.486 -6.922 0.961 1.00 0.00 O ATOM 1891 CB LYS A 121 -18.467 -4.923 2.640 1.00 0.00 C ATOM 1892 CG LYS A 121 -17.168 -5.160 3.166 1.00 0.00 C ATOM 1893 CD LYS A 121 -16.828 -4.291 4.315 1.00 0.00 C ATOM 1894 CE LYS A 121 -17.903 -4.202 5.325 1.00 0.00 C ATOM 1895 NZ LYS A 121 -18.157 -5.461 6.032 1.00 0.00 N ATOM 0 H LYS A 121 -17.671 -3.897 0.786 1.00 0.00 H new ATOM 0 HA LYS A 121 -18.233 -6.522 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -18.617 -3.847 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -19.206 -5.286 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -17.095 -6.203 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -16.432 -5.009 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.923 -4.669 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -16.601 -3.290 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -17.642 -3.434 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -18.822 -3.879 4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -19.112 -5.441 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -18.085 -6.255 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -17.455 -5.581 6.790 1.00 0.00 H new ATOM 1909 N ALA A 122 -20.802 -4.827 1.245 1.00 0.00 N ATOM 1910 CA ALA A 122 -22.173 -4.796 1.007 1.00 0.00 C ATOM 1911 C ALA A 122 -22.581 -5.294 -0.384 1.00 0.00 C ATOM 1912 O ALA A 122 -23.754 -5.529 -0.641 1.00 0.00 O ATOM 1913 CB ALA A 122 -22.586 -3.443 1.161 1.00 0.00 C ATOM 0 H ALA A 122 -20.426 -3.915 1.504 1.00 0.00 H new ATOM 0 HA ALA A 122 -22.654 -5.474 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -23.659 -3.368 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -22.361 -3.107 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -22.055 -2.817 0.444 1.00 0.00 H new ATOM 1919 N ARG A 123 -21.614 -5.442 -1.285 1.00 0.00 N ATOM 1920 CA ARG A 123 -21.887 -5.897 -2.579 1.00 0.00 C ATOM 1921 C ARG A 123 -21.656 -7.347 -2.620 1.00 0.00 C ATOM 1922 O ARG A 123 -22.234 -8.091 -3.409 1.00 0.00 O ATOM 1923 CB ARG A 123 -20.992 -5.197 -3.565 1.00 0.00 C ATOM 1924 CG ARG A 123 -20.071 -6.107 -4.338 1.00 0.00 C ATOM 1925 CD ARG A 123 -18.965 -5.322 -4.935 1.00 0.00 C ATOM 1926 NE ARG A 123 -18.060 -6.141 -5.763 1.00 0.00 N ATOM 1927 CZ ARG A 123 -17.059 -5.651 -6.524 1.00 0.00 C ATOM 1928 NH1 ARG A 123 -16.839 -4.327 -6.578 1.00 0.00 N ATOM 1929 NH2 ARG A 123 -16.285 -6.485 -7.234 1.00 0.00 N ATOM 0 H ARG A 123 -20.630 -5.241 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 123 -22.922 -5.682 -2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -21.613 -4.646 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -20.390 -4.462 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -19.668 -6.875 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -20.628 -6.620 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -19.383 -4.522 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -18.391 -4.849 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 123 -18.201 -7.151 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -17.429 -3.690 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.082 -3.959 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.453 -7.491 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.529 -6.114 -7.809 1.00 0.00 H new ATOM 1943 N VAL A 124 -20.805 -7.720 -1.754 1.00 0.00 N ATOM 1944 CA VAL A 124 -20.305 -9.032 -1.725 1.00 0.00 C ATOM 1945 C VAL A 124 -21.247 -9.819 -0.979 1.00 0.00 C ATOM 1946 O VAL A 124 -21.914 -10.730 -1.477 1.00 0.00 O ATOM 1947 CB VAL A 124 -18.960 -9.088 -1.051 1.00 0.00 C ATOM 1948 CG1 VAL A 124 -18.501 -10.475 -0.926 1.00 0.00 C ATOM 1949 CG2 VAL A 124 -17.960 -8.271 -1.754 1.00 0.00 C ATOM 0 H VAL A 124 -20.427 -7.110 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 124 -20.178 -9.407 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 124 -19.079 -8.668 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -17.527 -10.493 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -19.217 -11.043 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -18.417 -10.921 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -17.004 -8.339 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -17.845 -8.635 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -18.288 -7.232 -1.774 1.00 0.00 H new ATOM 1959 N GLN A 125 -21.348 -9.297 0.172 1.00 0.00 N ATOM 1960 CA GLN A 125 -22.190 -9.573 1.210 1.00 0.00 C ATOM 1961 C GLN A 125 -22.659 -11.004 1.295 1.00 0.00 C ATOM 1962 O GLN A 125 -21.891 -11.922 0.943 1.00 0.00 O ATOM 1963 CB GLN A 125 -23.173 -8.549 0.975 1.00 0.00 C ATOM 1964 CG GLN A 125 -24.145 -8.679 -0.199 1.00 0.00 C ATOM 1965 CD GLN A 125 -25.452 -9.375 0.089 1.00 0.00 C ATOM 1966 OE1 GLN A 125 -25.967 -9.335 1.204 1.00 0.00 O ATOM 1967 NE2 GLN A 125 -25.995 -10.019 -0.907 1.00 0.00 N ATOM 0 H GLN A 125 -20.720 -8.535 0.427 1.00 0.00 H new ATOM 0 HA GLN A 125 -21.756 -9.533 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -23.770 -8.458 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -22.638 -7.608 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -24.365 -7.679 -0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -23.641 -9.216 -1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -25.537 -10.029 -1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -26.878 -10.512 -0.775 1.00 0.00 H new ATOM 1976 N ALA A 126 -23.866 -11.198 1.832 1.00 0.00 N ATOM 1977 CA ALA A 126 -24.531 -12.453 1.880 1.00 0.00 C ATOM 1978 C ALA A 126 -23.849 -13.485 2.793 1.00 0.00 C ATOM 1979 O ALA A 126 -24.384 -13.872 3.831 1.00 0.00 O ATOM 1980 CB ALA A 126 -24.695 -12.887 0.473 1.00 0.00 C ATOM 0 H ALA A 126 -24.406 -10.443 2.254 1.00 0.00 H new ATOM 0 HA ALA A 126 -25.507 -12.354 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -25.203 -13.851 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -25.288 -12.150 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -23.715 -12.980 0.004 1.00 0.00 H new ATOM 1986 N GLN A 127 -22.693 -13.917 2.382 1.00 0.00 N ATOM 1987 CA GLN A 127 -21.828 -14.691 3.058 1.00 0.00 C ATOM 1988 C GLN A 127 -21.195 -13.879 4.175 1.00 0.00 C ATOM 1989 O GLN A 127 -21.224 -12.652 4.178 1.00 0.00 O ATOM 1990 CB GLN A 127 -20.782 -15.070 2.018 1.00 0.00 C ATOM 1991 CG GLN A 127 -20.480 -16.508 1.982 1.00 0.00 C ATOM 1992 CD GLN A 127 -19.689 -17.006 3.189 1.00 0.00 C ATOM 1993 OE1 GLN A 127 -20.262 -17.347 4.226 1.00 0.00 O ATOM 1994 NE2 GLN A 127 -18.383 -17.101 3.045 1.00 0.00 N ATOM 0 H GLN A 127 -22.342 -13.680 1.454 1.00 0.00 H new ATOM 0 HA GLN A 127 -22.294 -15.564 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -21.130 -14.756 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -19.863 -14.520 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -21.415 -17.064 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -19.917 -16.728 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -17.944 -16.809 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -17.811 -17.467 3.806 1.00 0.00 H new ATOM 2003 N ARG A 128 -20.645 -14.594 5.104 1.00 0.00 N ATOM 2004 CA ARG A 128 -19.887 -14.118 6.213 1.00 0.00 C ATOM 2005 C ARG A 128 -18.797 -13.077 5.899 1.00 0.00 C ATOM 2006 O ARG A 128 -18.270 -12.430 6.811 1.00 0.00 O ATOM 2007 CB ARG A 128 -19.209 -15.286 6.834 1.00 0.00 C ATOM 2008 CG ARG A 128 -19.941 -15.920 7.988 1.00 0.00 C ATOM 2009 CD ARG A 128 -19.848 -15.036 9.183 1.00 0.00 C ATOM 2010 NE ARG A 128 -18.435 -14.688 9.480 1.00 0.00 N ATOM 2011 CZ ARG A 128 -17.998 -13.542 10.026 1.00 0.00 C ATOM 2012 NH1 ARG A 128 -18.867 -12.597 10.410 1.00 0.00 N ATOM 2013 NH2 ARG A 128 -16.685 -13.341 10.160 1.00 0.00 N ATOM 0 H ARG A 128 -20.722 -15.611 5.104 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.607 -13.612 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.051 -16.043 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.224 -14.972 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.986 -16.083 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.512 -16.897 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.422 -14.125 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.292 -15.535 10.044 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.729 -15.386 9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.869 -12.746 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.527 -11.729 10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.026 -14.054 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.341 -12.474 10.573 1.00 0.00 H new ATOM 2027 N ALA A 129 -18.447 -13.000 4.650 1.00 0.00 N ATOM 2028 CA ALA A 129 -17.372 -12.226 4.120 1.00 0.00 C ATOM 2029 C ALA A 129 -17.167 -10.813 4.620 1.00 0.00 C ATOM 2030 O ALA A 129 -18.033 -9.939 4.537 1.00 0.00 O ATOM 2031 CB ALA A 129 -17.320 -12.304 2.643 1.00 0.00 C ATOM 0 H ALA A 129 -18.944 -13.516 3.924 1.00 0.00 H new ATOM 0 HA ALA A 129 -16.509 -12.728 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -16.489 -11.702 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -17.180 -13.341 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -18.253 -11.926 2.226 1.00 0.00 H new ATOM 2037 N GLU A 130 -15.983 -10.647 5.132 1.00 0.00 N ATOM 2038 CA GLU A 130 -15.398 -9.520 5.570 1.00 0.00 C ATOM 2039 C GLU A 130 -13.910 -9.900 5.458 1.00 0.00 C ATOM 2040 O GLU A 130 -13.248 -9.596 4.497 1.00 0.00 O ATOM 2041 CB GLU A 130 -15.827 -9.254 7.004 1.00 0.00 C ATOM 2042 CG GLU A 130 -14.957 -8.275 7.655 1.00 0.00 C ATOM 2043 CD GLU A 130 -15.065 -6.904 7.048 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -16.058 -6.206 7.345 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -14.194 -6.528 6.260 1.00 0.00 O ATOM 0 H GLU A 130 -15.359 -11.446 5.245 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.647 -8.609 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -16.855 -8.892 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -15.811 -10.187 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -15.209 -8.219 8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -13.923 -8.615 7.591 1.00 0.00 H new ATOM 2052 N GLN A 131 -13.492 -10.729 6.381 1.00 0.00 N ATOM 2053 CA GLN A 131 -12.205 -11.369 6.363 1.00 0.00 C ATOM 2054 C GLN A 131 -12.552 -12.846 6.351 1.00 0.00 C ATOM 2055 O GLN A 131 -12.694 -13.466 7.400 1.00 0.00 O ATOM 2056 CB GLN A 131 -11.421 -11.010 7.638 1.00 0.00 C ATOM 2057 CG GLN A 131 -9.983 -11.528 7.717 1.00 0.00 C ATOM 2058 CD GLN A 131 -9.011 -10.798 6.802 1.00 0.00 C ATOM 2059 OE1 GLN A 131 -8.442 -9.792 7.192 1.00 0.00 O ATOM 2060 NE2 GLN A 131 -8.770 -11.323 5.623 1.00 0.00 N ATOM 0 H GLN A 131 -14.058 -10.984 7.191 1.00 0.00 H new ATOM 0 HA GLN A 131 -11.583 -11.070 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -11.399 -9.924 7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -11.971 -11.394 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -9.633 -11.441 8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.975 -12.589 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -9.264 -12.165 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.088 -10.889 5.001 1.00 0.00 H new ATOM 2069 N GLN A 132 -12.833 -13.367 5.173 1.00 0.00 N ATOM 2070 CA GLN A 132 -13.390 -14.681 5.038 1.00 0.00 C ATOM 2071 C GLN A 132 -12.963 -15.388 3.800 1.00 0.00 C ATOM 2072 O GLN A 132 -12.174 -14.892 3.002 1.00 0.00 O ATOM 2073 CB GLN A 132 -14.894 -14.573 4.905 1.00 0.00 C ATOM 2074 CG GLN A 132 -15.640 -14.310 6.165 1.00 0.00 C ATOM 2075 CD GLN A 132 -15.579 -15.472 7.156 1.00 0.00 C ATOM 2076 OE1 GLN A 132 -15.618 -15.267 8.376 1.00 0.00 O ATOM 2077 NE2 GLN A 132 -15.570 -16.700 6.649 1.00 0.00 N ATOM 0 H GLN A 132 -12.678 -12.884 4.288 1.00 0.00 H new ATOM 0 HA GLN A 132 -13.051 -15.228 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -15.121 -13.775 4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -15.269 -15.500 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -15.236 -13.416 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -16.682 -14.100 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -15.537 -16.834 5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -15.596 -17.508 7.270 1.00 0.00 H new ATOM 2086 N ALA A 133 -13.535 -16.538 3.691 1.00 0.00 N ATOM 2087 CA ALA A 133 -13.620 -17.342 2.570 1.00 0.00 C ATOM 2088 C ALA A 133 -15.097 -17.654 2.593 1.00 0.00 C ATOM 2089 O ALA A 133 -15.793 -17.444 1.604 1.00 0.00 O ATOM 2090 CB ALA A 133 -12.790 -18.599 2.741 1.00 0.00 C ATOM 2091 OXT ALA A 133 -15.592 -17.878 3.764 1.00 0.00 O ATOM 0 H ALA A 133 -14.001 -16.965 4.491 1.00 0.00 H new ATOM 0 HA ALA A 133 -13.256 -16.895 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.874 -19.215 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.746 -18.327 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -13.153 -19.160 3.602 1.00 0.00 H new TER 2097 ALA A 133