USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot 8:sc= 1.27 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 99 GLN : amide:sc= -4.11! C(o=-3.8!,f=-9.9!) USER MOD Set 2.2: A 101 SER OG : rot -85:sc= 0.343 USER MOD Set 3.1: A 72 GLN : amide:sc= -0.0258 X(o=1.1,f=1) USER MOD Set 3.2: A 78 THR OG1 : rot 26:sc= 1.09 USER MOD Set 4.1: A 59 MET CE :methyl -100:sc= -0.805 (180deg=-3.02) USER MOD Set 4.2: A 61 ASN : amide:sc= -1.2 K(o=-2,f=-12!) USER MOD Set 5.1: A 52 HIS : no HE2:sc= -1.01 K(o=-1,f=-6.5!) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 50 SER OG : rot -80:sc= 0.616 USER MOD Set 6.2: A 60 THR OG1 : rot 31:sc= 0.802 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 85:sc= 0.0445 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -164:sc= -0.137 (180deg=-0.573) USER MOD Single : A 10 SER OG : rot 38:sc= 0.827 USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= 0.789 (180deg=0.16) USER MOD Single : A 13 ASN :FLIP amide:sc= 0.696 F(o=-0.23,f=0.7) USER MOD Single : A 14 TYR OH : rot -173:sc= -0.53! USER MOD Single : A 18 MET CE :methyl -175:sc= -0.0217 (180deg=-0.0817) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= 0.383 (180deg=-0.0087) USER MOD Single : A 33 ASN : amide:sc= -0.624 K(o=-0.62,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.00553 (180deg=0.000252) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.1!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 48 THR OG1 : rot 46:sc= 0.959 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0193 USER MOD Single : A 54 SER OG : rot 7:sc= 1.17 USER MOD Single : A 57 HIS :FLIP no HE2:sc=-0.00758 F(o=-0.92,f=-0.0076) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -16:sc= 0.239 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 22:sc= 1.29 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 73 THR OG1 : rot -33:sc= 0.66 USER MOD Single : A 74 MET CE :methyl 154:sc= -0.15 (180deg=-0.852) USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= 0.879 (180deg=-0.035) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.16) USER MOD Single : A 96 ASN : amide:sc= -2.86 K(o=-2.9,f=-4.3!) USER MOD Single : A 97 TYR OH : rot 63:sc= 0.521 USER MOD Single : A 98 HIS : no HD1:sc= -2.35 K(o=-2.4,f=-3.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 138:sc= 1.16 USER MOD Single : A 119 TYR OH : rot -101:sc= 0.0264 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -174:sc= 1.05 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.297 8.924 13.693 1.00 0.00 N ATOM 2 CA ALA A 1 2.584 8.361 13.317 1.00 0.00 C ATOM 3 C ALA A 1 2.356 7.049 12.605 1.00 0.00 C ATOM 4 O ALA A 1 2.860 6.033 13.056 1.00 0.00 O ATOM 5 CB ALA A 1 3.475 8.207 14.576 1.00 0.00 C ATOM 0 H1 ALA A 1 1.444 9.829 14.184 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.725 9.083 12.839 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.800 8.264 14.325 1.00 0.00 H new ATOM 0 HA ALA A 1 3.111 9.025 12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.439 7.785 14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.628 9.184 15.035 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.985 7.544 15.289 1.00 0.00 H new ATOM 11 N PHE A 2 1.590 7.063 11.490 1.00 0.00 N ATOM 12 CA PHE A 2 1.318 5.826 10.755 1.00 0.00 C ATOM 13 C PHE A 2 0.793 4.789 11.716 1.00 0.00 C ATOM 14 O PHE A 2 1.443 3.780 11.932 1.00 0.00 O ATOM 15 CB PHE A 2 2.585 5.348 9.999 1.00 0.00 C ATOM 16 CG PHE A 2 2.774 6.168 8.720 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.005 5.877 7.588 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.719 7.199 8.675 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.224 6.572 6.396 1.00 0.00 C ATOM 20 CE2 PHE A 2 3.952 7.882 7.479 1.00 0.00 C ATOM 21 CZ PHE A 2 3.223 7.543 6.336 1.00 0.00 C ATOM 0 H PHE A 2 1.162 7.900 11.094 1.00 0.00 H new ATOM 0 HA PHE A 2 0.556 6.002 9.996 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.461 5.451 10.639 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.494 4.290 9.752 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.242 5.115 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.268 7.467 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.622 6.358 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.692 8.668 7.438 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.435 8.037 5.399 1.00 0.00 H new ATOM 31 N THR A 3 -0.393 5.028 12.316 1.00 0.00 N ATOM 32 CA THR A 3 -0.918 4.085 13.299 1.00 0.00 C ATOM 33 C THR A 3 -2.420 4.248 13.357 1.00 0.00 C ATOM 34 O THR A 3 -2.868 5.302 13.780 1.00 0.00 O ATOM 35 CB THR A 3 -0.262 4.401 14.670 1.00 0.00 C ATOM 36 OG1 THR A 3 1.145 4.115 14.573 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.900 3.570 15.815 1.00 0.00 C ATOM 0 H THR A 3 -0.981 5.842 12.138 1.00 0.00 H new ATOM 0 HA THR A 3 -0.690 3.053 13.032 1.00 0.00 H new ATOM 0 HB THR A 3 -0.423 5.452 14.909 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.611 4.889 14.194 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.415 3.819 16.759 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.963 3.800 15.882 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.770 2.507 15.609 1.00 0.00 H new ATOM 45 N GLY A 4 -3.215 3.238 12.936 1.00 0.00 N ATOM 46 CA GLY A 4 -4.665 3.388 12.980 1.00 0.00 C ATOM 47 C GLY A 4 -5.346 2.317 12.167 1.00 0.00 C ATOM 48 O GLY A 4 -4.751 1.270 11.966 1.00 0.00 O ATOM 0 H GLY A 4 -2.881 2.344 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.008 3.338 14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.944 4.371 12.599 1.00 0.00 H new ATOM 52 N LYS A 5 -6.587 2.583 11.699 1.00 0.00 N ATOM 53 CA LYS A 5 -7.282 1.660 10.807 1.00 0.00 C ATOM 54 C LYS A 5 -7.688 2.477 9.607 1.00 0.00 C ATOM 55 O LYS A 5 -7.805 3.681 9.761 1.00 0.00 O ATOM 56 CB LYS A 5 -8.482 0.928 11.466 1.00 0.00 C ATOM 57 CG LYS A 5 -9.665 1.860 11.869 1.00 0.00 C ATOM 58 CD LYS A 5 -9.881 2.009 13.404 1.00 0.00 C ATOM 59 CE LYS A 5 -8.740 2.777 14.126 1.00 0.00 C ATOM 60 NZ LYS A 5 -9.015 2.923 15.574 1.00 0.00 N ATOM 0 H LYS A 5 -7.114 3.425 11.929 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.621 0.840 10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.852 0.170 10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.129 0.405 12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.493 2.848 11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.582 1.475 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.823 2.527 13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.975 1.017 13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.798 2.247 13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.622 3.763 13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.234 3.440 16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.902 3.450 15.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.103 1.982 16.007 1.00 0.00 H new ATOM 74 N PHE A 6 -7.895 1.874 8.417 1.00 0.00 N ATOM 75 CA PHE A 6 -8.254 2.671 7.248 1.00 0.00 C ATOM 76 C PHE A 6 -9.010 1.841 6.240 1.00 0.00 C ATOM 77 O PHE A 6 -8.956 0.632 6.385 1.00 0.00 O ATOM 78 CB PHE A 6 -7.006 3.285 6.553 1.00 0.00 C ATOM 79 CG PHE A 6 -6.047 4.012 7.506 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.114 3.277 8.244 1.00 0.00 C ATOM 81 CD2 PHE A 6 -6.074 5.405 7.636 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.277 3.913 9.164 1.00 0.00 C ATOM 83 CE2 PHE A 6 -5.198 6.051 8.512 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.330 5.302 9.311 1.00 0.00 C ATOM 0 H PHE A 6 -7.821 0.870 8.252 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.887 3.481 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.461 2.491 6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.339 3.985 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.040 2.209 8.102 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.777 5.985 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.590 3.332 9.761 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.192 7.129 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.703 5.794 10.039 1.00 0.00 H new ATOM 94 N GLU A 7 -9.683 2.418 5.210 1.00 0.00 N ATOM 95 CA GLU A 7 -10.154 1.560 4.115 1.00 0.00 C ATOM 96 C GLU A 7 -10.077 2.286 2.798 1.00 0.00 C ATOM 97 O GLU A 7 -10.189 3.501 2.803 1.00 0.00 O ATOM 98 CB GLU A 7 -11.546 0.902 4.301 1.00 0.00 C ATOM 99 CG GLU A 7 -12.703 1.924 4.153 1.00 0.00 C ATOM 100 CD GLU A 7 -14.060 1.296 4.350 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.185 0.049 4.207 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.022 2.054 4.651 1.00 0.00 O ATOM 0 H GLU A 7 -9.897 3.411 5.123 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.463 0.717 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.671 0.106 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.598 0.438 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.569 2.726 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.657 2.378 3.163 1.00 0.00 H new ATOM 109 N MET A 8 -9.875 1.538 1.688 1.00 0.00 N ATOM 110 CA MET A 8 -9.548 2.152 0.405 1.00 0.00 C ATOM 111 C MET A 8 -10.779 2.189 -0.461 1.00 0.00 C ATOM 112 O MET A 8 -11.567 1.264 -0.341 1.00 0.00 O ATOM 113 CB MET A 8 -8.441 1.280 -0.242 1.00 0.00 C ATOM 114 CG MET A 8 -7.783 1.942 -1.477 1.00 0.00 C ATOM 115 SD MET A 8 -6.606 0.780 -2.244 1.00 0.00 S ATOM 116 CE MET A 8 -5.481 0.367 -0.871 1.00 0.00 C ATOM 0 H MET A 8 -9.935 0.520 1.667 1.00 0.00 H new ATOM 0 HA MET A 8 -9.197 3.177 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.672 1.070 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.869 0.322 -0.537 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.548 2.229 -2.199 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.266 2.855 -1.180 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.576 -0.093 -1.268 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.219 1.276 -0.329 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.974 -0.330 -0.193 1.00 0.00 H new ATOM 126 N GLU A 9 -10.969 3.221 -1.321 1.00 0.00 N ATOM 127 CA GLU A 9 -12.191 3.282 -2.123 1.00 0.00 C ATOM 128 C GLU A 9 -12.085 4.177 -3.346 1.00 0.00 C ATOM 129 O GLU A 9 -12.475 3.715 -4.408 1.00 0.00 O ATOM 130 CB GLU A 9 -13.418 3.630 -1.227 1.00 0.00 C ATOM 131 CG GLU A 9 -13.463 5.094 -0.719 1.00 0.00 C ATOM 132 CD GLU A 9 -13.930 6.091 -1.750 1.00 0.00 C ATOM 133 OE1 GLU A 9 -14.459 5.683 -2.819 1.00 0.00 O ATOM 134 OE2 GLU A 9 -13.775 7.313 -1.487 1.00 0.00 O ATOM 0 H GLU A 9 -10.313 3.989 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.344 2.284 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.329 3.428 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.421 2.962 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.124 5.147 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.468 5.379 -0.378 1.00 0.00 H new ATOM 141 N SER A 10 -11.593 5.440 -3.277 1.00 0.00 N ATOM 142 CA SER A 10 -11.608 6.271 -4.485 1.00 0.00 C ATOM 143 C SER A 10 -10.611 5.739 -5.487 1.00 0.00 C ATOM 144 O SER A 10 -11.017 5.398 -6.587 1.00 0.00 O ATOM 145 CB SER A 10 -11.305 7.782 -4.281 1.00 0.00 C ATOM 146 OG SER A 10 -12.284 8.439 -3.465 1.00 0.00 O ATOM 0 H SER A 10 -11.203 5.878 -2.442 1.00 0.00 H new ATOM 0 HA SER A 10 -12.639 6.208 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.323 7.892 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.260 8.273 -5.253 1.00 0.00 H new ATOM 0 HG SER A 10 -12.565 7.838 -2.744 1.00 0.00 H new ATOM 152 N GLU A 11 -9.306 5.684 -5.123 1.00 0.00 N ATOM 153 CA GLU A 11 -8.273 5.275 -6.077 1.00 0.00 C ATOM 154 C GLU A 11 -8.234 6.193 -7.283 1.00 0.00 C ATOM 155 O GLU A 11 -9.083 7.065 -7.378 1.00 0.00 O ATOM 156 CB GLU A 11 -8.439 3.775 -6.445 1.00 0.00 C ATOM 157 CG GLU A 11 -8.391 2.872 -5.185 1.00 0.00 C ATOM 158 CD GLU A 11 -8.559 1.408 -5.509 1.00 0.00 C ATOM 159 OE1 GLU A 11 -8.448 1.036 -6.707 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.808 0.613 -4.563 1.00 0.00 O ATOM 0 H GLU A 11 -8.959 5.915 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.296 5.375 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.387 3.629 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.650 3.479 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.440 3.020 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.176 3.179 -4.493 1.00 0.00 H new ATOM 167 N LYS A 12 -7.252 6.037 -8.208 1.00 0.00 N ATOM 168 CA LYS A 12 -7.148 6.945 -9.352 1.00 0.00 C ATOM 169 C LYS A 12 -6.692 6.187 -10.588 1.00 0.00 C ATOM 170 O LYS A 12 -7.561 5.722 -11.310 1.00 0.00 O ATOM 171 CB LYS A 12 -6.259 8.144 -8.918 1.00 0.00 C ATOM 172 CG LYS A 12 -5.979 9.150 -10.069 1.00 0.00 C ATOM 173 CD LYS A 12 -4.953 10.230 -9.626 1.00 0.00 C ATOM 174 CE LYS A 12 -4.676 11.255 -10.759 1.00 0.00 C ATOM 175 NZ LYS A 12 -3.667 12.258 -10.348 1.00 0.00 N ATOM 0 H LYS A 12 -6.542 5.305 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.110 7.362 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.745 8.669 -8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.311 7.765 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.597 8.616 -10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.910 9.630 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.330 10.752 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.020 9.748 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.328 10.730 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.603 11.760 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.105 12.544 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.147 13.091 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.040 11.845 -9.629 1.00 0.00 H new ATOM 189 N ASN A 13 -5.375 6.036 -10.879 1.00 0.00 N ATOM 190 CA ASN A 13 -4.953 5.332 -12.098 1.00 0.00 C ATOM 191 C ASN A 13 -4.921 3.831 -11.891 1.00 0.00 C ATOM 192 O ASN A 13 -4.898 3.115 -12.879 1.00 0.00 O ATOM 193 CB ASN A 13 -3.544 5.791 -12.562 1.00 0.00 C ATOM 194 CG ASN A 13 -3.335 5.684 -14.057 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.373 6.440 -14.632 1.00 0.00 O flip ATOM 196 ND2 ASN A 13 -4.032 4.925 -14.713 1.00 0.00 N flip ATOM 0 H ASN A 13 -4.612 6.385 -10.299 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.689 5.579 -12.863 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.388 6.825 -12.255 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.790 5.190 -12.054 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.751 4.366 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.895 4.850 -15.721 1.00 0.00 H new ATOM 203 N TYR A 14 -4.910 3.372 -10.617 1.00 0.00 N ATOM 204 CA TYR A 14 -5.051 1.961 -10.267 1.00 0.00 C ATOM 205 C TYR A 14 -5.161 0.959 -11.395 1.00 0.00 C ATOM 206 O TYR A 14 -4.294 0.108 -11.504 1.00 0.00 O ATOM 207 CB TYR A 14 -6.317 1.957 -9.375 1.00 0.00 C ATOM 208 CG TYR A 14 -6.826 0.555 -9.067 1.00 0.00 C ATOM 209 CD1 TYR A 14 -6.239 -0.190 -8.041 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.899 0.032 -9.795 1.00 0.00 C ATOM 211 CE1 TYR A 14 -6.809 -1.406 -7.662 1.00 0.00 C ATOM 212 CE2 TYR A 14 -8.400 -1.229 -9.480 1.00 0.00 C ATOM 213 CZ TYR A 14 -7.860 -1.945 -8.405 1.00 0.00 C ATOM 214 OH TYR A 14 -8.362 -3.186 -8.053 1.00 0.00 O ATOM 0 H TYR A 14 -4.802 3.983 -9.808 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.133 1.613 -9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.097 2.471 -8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.106 2.523 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.351 0.173 -7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.338 0.604 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.437 -1.930 -6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.203 -1.653 -10.064 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.011 -3.479 -8.726 1.00 0.00 H new ATOM 224 N ASP A 15 -6.213 1.009 -12.242 1.00 0.00 N ATOM 225 CA ASP A 15 -6.391 -0.045 -13.238 1.00 0.00 C ATOM 226 C ASP A 15 -5.136 -0.229 -14.061 1.00 0.00 C ATOM 227 O ASP A 15 -4.621 -1.334 -14.130 1.00 0.00 O ATOM 228 CB ASP A 15 -7.578 0.268 -14.185 1.00 0.00 C ATOM 229 CG ASP A 15 -8.880 0.151 -13.434 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.313 -1.004 -13.168 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.479 1.208 -13.098 1.00 0.00 O ATOM 0 H ASP A 15 -6.922 1.742 -12.251 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.605 -0.965 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.473 1.273 -14.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.572 -0.421 -15.029 1.00 0.00 H new ATOM 236 N GLU A 16 -4.632 0.851 -14.696 1.00 0.00 N ATOM 237 CA GLU A 16 -3.432 0.713 -15.516 1.00 0.00 C ATOM 238 C GLU A 16 -2.272 0.323 -14.630 1.00 0.00 C ATOM 239 O GLU A 16 -1.593 -0.645 -14.928 1.00 0.00 O ATOM 240 CB GLU A 16 -3.050 2.004 -16.293 1.00 0.00 C ATOM 241 CG GLU A 16 -4.200 2.536 -17.188 1.00 0.00 C ATOM 242 CD GLU A 16 -3.672 3.607 -18.108 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.327 4.708 -17.598 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.595 3.359 -19.342 1.00 0.00 O ATOM 0 H GLU A 16 -5.027 1.791 -14.655 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.652 -0.053 -16.260 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.763 2.778 -15.581 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.177 1.803 -16.914 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.628 1.720 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.001 2.938 -16.567 1.00 0.00 H new ATOM 251 N PHE A 17 -2.011 1.043 -13.519 1.00 0.00 N ATOM 252 CA PHE A 17 -0.895 0.634 -12.665 1.00 0.00 C ATOM 253 C PHE A 17 -0.852 -0.857 -12.411 1.00 0.00 C ATOM 254 O PHE A 17 0.227 -1.428 -12.377 1.00 0.00 O ATOM 255 CB PHE A 17 -1.019 1.300 -11.277 1.00 0.00 C ATOM 256 CG PHE A 17 0.212 0.953 -10.439 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.413 1.581 -10.781 1.00 0.00 C ATOM 258 CD2 PHE A 17 0.142 0.078 -9.351 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.556 1.340 -10.024 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.280 -0.118 -8.568 1.00 0.00 C ATOM 261 CZ PHE A 17 2.501 0.416 -8.984 1.00 0.00 C ATOM 0 H PHE A 17 -2.530 1.865 -13.210 1.00 0.00 H new ATOM 0 HA PHE A 17 0.005 0.938 -13.199 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.106 2.381 -11.386 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.924 0.956 -10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.454 2.250 -11.628 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.778 -0.438 -9.120 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.475 1.864 -10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.217 -0.679 -7.647 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.413 0.109 -8.494 1.00 0.00 H new ATOM 271 N MET A 18 -2.029 -1.490 -12.231 1.00 0.00 N ATOM 272 CA MET A 18 -2.069 -2.919 -11.938 1.00 0.00 C ATOM 273 C MET A 18 -1.773 -3.675 -13.211 1.00 0.00 C ATOM 274 O MET A 18 -1.101 -4.690 -13.129 1.00 0.00 O ATOM 275 CB MET A 18 -3.475 -3.342 -11.431 1.00 0.00 C ATOM 276 CG MET A 18 -3.843 -2.773 -10.036 1.00 0.00 C ATOM 277 SD MET A 18 -2.848 -3.579 -8.744 1.00 0.00 S ATOM 278 CE MET A 18 -3.882 -3.211 -7.298 1.00 0.00 C ATOM 0 H MET A 18 -2.941 -1.037 -12.284 1.00 0.00 H new ATOM 0 HA MET A 18 -1.334 -3.141 -11.164 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.223 -3.016 -12.153 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.523 -4.430 -11.392 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.672 -1.697 -10.018 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.903 -2.931 -9.839 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.379 -3.555 -6.394 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.048 -2.136 -7.234 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.840 -3.721 -7.397 1.00 0.00 H new ATOM 288 N LYS A 19 -2.254 -3.216 -14.393 1.00 0.00 N ATOM 289 CA LYS A 19 -1.959 -3.945 -15.625 1.00 0.00 C ATOM 290 C LYS A 19 -0.468 -4.154 -15.766 1.00 0.00 C ATOM 291 O LYS A 19 -0.063 -5.199 -16.252 1.00 0.00 O ATOM 292 CB LYS A 19 -2.605 -3.340 -16.916 1.00 0.00 C ATOM 293 CG LYS A 19 -1.753 -2.277 -17.671 1.00 0.00 C ATOM 294 CD LYS A 19 -2.223 -2.016 -19.133 1.00 0.00 C ATOM 295 CE LYS A 19 -3.648 -1.407 -19.231 1.00 0.00 C ATOM 296 NZ LYS A 19 -4.022 -1.124 -20.636 1.00 0.00 N ATOM 0 H LYS A 19 -2.824 -2.378 -14.507 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.442 -4.917 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.826 -4.156 -17.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.558 -2.886 -16.643 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.785 -1.339 -17.116 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.713 -2.603 -17.687 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.516 -1.343 -19.618 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.200 -2.955 -19.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.370 -2.096 -18.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.692 -0.486 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.979 -0.718 -20.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.346 -0.448 -21.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.003 -2.007 -21.185 1.00 0.00 H new ATOM 310 N LEU A 20 0.363 -3.169 -15.351 1.00 0.00 N ATOM 311 CA LEU A 20 1.810 -3.307 -15.517 1.00 0.00 C ATOM 312 C LEU A 20 2.402 -4.189 -14.442 1.00 0.00 C ATOM 313 O LEU A 20 3.266 -4.988 -14.771 1.00 0.00 O ATOM 314 CB LEU A 20 2.506 -1.922 -15.535 1.00 0.00 C ATOM 315 CG LEU A 20 2.002 -0.995 -16.684 1.00 0.00 C ATOM 316 CD1 LEU A 20 2.690 0.389 -16.546 1.00 0.00 C ATOM 317 CD2 LEU A 20 2.274 -1.576 -18.102 1.00 0.00 C ATOM 0 H LEU A 20 0.059 -2.299 -14.913 1.00 0.00 H new ATOM 0 HA LEU A 20 1.986 -3.786 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.340 -1.427 -14.578 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.582 -2.065 -15.638 1.00 0.00 H new ATOM 0 HG LEU A 20 0.920 -0.908 -16.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.346 1.047 -17.344 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.437 0.826 -15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.771 0.267 -16.617 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.900 -0.884 -18.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.346 -1.716 -18.238 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.767 -2.535 -18.206 1.00 0.00 H new ATOM 329 N LEU A 21 1.962 -4.097 -13.165 1.00 0.00 N ATOM 330 CA LEU A 21 2.420 -5.087 -12.186 1.00 0.00 C ATOM 331 C LEU A 21 2.115 -6.457 -12.757 1.00 0.00 C ATOM 332 O LEU A 21 2.933 -7.354 -12.632 1.00 0.00 O ATOM 333 CB LEU A 21 1.712 -5.014 -10.804 1.00 0.00 C ATOM 334 CG LEU A 21 1.878 -3.686 -10.008 1.00 0.00 C ATOM 335 CD1 LEU A 21 1.101 -3.791 -8.671 1.00 0.00 C ATOM 336 CD2 LEU A 21 3.354 -3.369 -9.666 1.00 0.00 C ATOM 0 H LEU A 21 1.324 -3.385 -12.810 1.00 0.00 H new ATOM 0 HA LEU A 21 3.478 -4.889 -12.016 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.647 -5.190 -10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.085 -5.831 -10.186 1.00 0.00 H new ATOM 0 HG LEU A 21 1.493 -2.889 -10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.215 -2.863 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.045 -3.964 -8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.497 -4.620 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.406 -2.432 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.768 -4.174 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.929 -3.278 -10.587 1.00 0.00 H new ATOM 348 N GLY A 22 0.931 -6.602 -13.398 1.00 0.00 N ATOM 349 CA GLY A 22 0.553 -7.858 -14.041 1.00 0.00 C ATOM 350 C GLY A 22 -0.453 -8.580 -13.181 1.00 0.00 C ATOM 351 O GLY A 22 -0.196 -9.712 -12.801 1.00 0.00 O ATOM 0 H GLY A 22 0.233 -5.862 -13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.131 -7.662 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.434 -8.482 -14.190 1.00 0.00 H new ATOM 355 N ILE A 23 -1.601 -7.930 -12.871 1.00 0.00 N ATOM 356 CA ILE A 23 -2.626 -8.553 -12.035 1.00 0.00 C ATOM 357 C ILE A 23 -3.763 -8.953 -12.948 1.00 0.00 C ATOM 358 O ILE A 23 -3.884 -8.340 -13.997 1.00 0.00 O ATOM 359 CB ILE A 23 -3.109 -7.551 -10.950 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.945 -6.841 -10.203 1.00 0.00 C ATOM 361 CG2 ILE A 23 -4.109 -8.203 -9.965 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.822 -7.776 -9.686 1.00 0.00 C ATOM 0 H ILE A 23 -1.828 -6.987 -13.188 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.233 -9.428 -11.517 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.641 -6.767 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.502 -6.104 -10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.359 -6.294 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.421 -7.468 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.981 -8.558 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.630 -9.044 -9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.059 -7.184 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.243 -8.498 -8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.373 -8.305 -10.527 1.00 0.00 H new ATOM 374 N SER A 24 -4.595 -9.965 -12.596 1.00 0.00 N ATOM 375 CA SER A 24 -5.635 -10.405 -13.532 1.00 0.00 C ATOM 376 C SER A 24 -6.848 -9.503 -13.486 1.00 0.00 C ATOM 377 O SER A 24 -7.120 -8.933 -12.443 1.00 0.00 O ATOM 378 CB SER A 24 -6.064 -11.892 -13.385 1.00 0.00 C ATOM 379 OG SER A 24 -6.720 -12.180 -12.141 1.00 0.00 O ATOM 0 H SER A 24 -4.564 -10.467 -11.709 1.00 0.00 H new ATOM 0 HA SER A 24 -5.162 -10.328 -14.511 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.731 -12.152 -14.207 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.183 -12.527 -13.477 1.00 0.00 H new ATOM 0 HG SER A 24 -6.965 -13.128 -12.112 1.00 0.00 H new ATOM 385 N SER A 25 -7.595 -9.352 -14.607 1.00 0.00 N ATOM 386 CA SER A 25 -8.732 -8.432 -14.619 1.00 0.00 C ATOM 387 C SER A 25 -9.797 -8.849 -13.632 1.00 0.00 C ATOM 388 O SER A 25 -10.397 -7.984 -13.012 1.00 0.00 O ATOM 389 CB SER A 25 -9.347 -8.311 -16.040 1.00 0.00 C ATOM 390 OG SER A 25 -9.769 -9.582 -16.563 1.00 0.00 O ATOM 0 H SER A 25 -7.429 -9.845 -15.485 1.00 0.00 H new ATOM 0 HA SER A 25 -8.350 -7.456 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.200 -7.633 -16.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.614 -7.869 -16.714 1.00 0.00 H new ATOM 0 HG SER A 25 -10.151 -9.457 -17.457 1.00 0.00 H new ATOM 396 N ASP A 26 -10.050 -10.167 -13.478 1.00 0.00 N ATOM 397 CA ASP A 26 -11.131 -10.606 -12.598 1.00 0.00 C ATOM 398 C ASP A 26 -10.873 -10.191 -11.168 1.00 0.00 C ATOM 399 O ASP A 26 -11.840 -9.934 -10.468 1.00 0.00 O ATOM 400 CB ASP A 26 -11.303 -12.146 -12.653 1.00 0.00 C ATOM 401 CG ASP A 26 -11.614 -12.573 -14.065 1.00 0.00 C ATOM 402 OD1 ASP A 26 -10.664 -12.613 -14.894 1.00 0.00 O ATOM 403 OD2 ASP A 26 -12.804 -12.867 -14.360 1.00 0.00 O ATOM 0 H ASP A 26 -9.534 -10.916 -13.939 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.045 -10.128 -12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.393 -12.636 -12.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.106 -12.456 -11.984 1.00 0.00 H new ATOM 408 N VAL A 27 -9.598 -10.126 -10.716 1.00 0.00 N ATOM 409 CA VAL A 27 -9.322 -9.685 -9.347 1.00 0.00 C ATOM 410 C VAL A 27 -9.115 -8.186 -9.298 1.00 0.00 C ATOM 411 O VAL A 27 -9.454 -7.610 -8.277 1.00 0.00 O ATOM 412 CB VAL A 27 -8.149 -10.465 -8.685 1.00 0.00 C ATOM 413 CG1 VAL A 27 -8.345 -11.999 -8.836 1.00 0.00 C ATOM 414 CG2 VAL A 27 -6.763 -10.008 -9.191 1.00 0.00 C ATOM 0 H VAL A 27 -8.774 -10.367 -11.267 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.202 -9.921 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.171 -10.227 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.512 -12.520 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.277 -12.296 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.384 -12.258 -9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.985 -10.587 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.699 -10.164 -10.268 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.625 -8.950 -8.969 1.00 0.00 H new ATOM 424 N ILE A 28 -8.581 -7.516 -10.352 1.00 0.00 N ATOM 425 CA ILE A 28 -8.481 -6.056 -10.310 1.00 0.00 C ATOM 426 C ILE A 28 -9.867 -5.531 -10.016 1.00 0.00 C ATOM 427 O ILE A 28 -10.051 -4.904 -8.986 1.00 0.00 O ATOM 428 CB ILE A 28 -7.919 -5.414 -11.623 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.407 -5.746 -11.801 1.00 0.00 C ATOM 430 CG2 ILE A 28 -8.131 -3.873 -11.640 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.869 -5.470 -13.232 1.00 0.00 C ATOM 0 H ILE A 28 -8.229 -7.953 -11.204 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.762 -5.781 -9.538 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.474 -5.844 -12.457 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.829 -5.160 -11.086 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.244 -6.796 -11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.729 -3.461 -12.565 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.196 -3.652 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.616 -3.426 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.810 -5.725 -13.278 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.420 -6.076 -13.951 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.999 -4.415 -13.472 1.00 0.00 H new ATOM 443 N GLU A 29 -10.862 -5.770 -10.898 1.00 0.00 N ATOM 444 CA GLU A 29 -12.182 -5.182 -10.672 1.00 0.00 C ATOM 445 C GLU A 29 -12.635 -5.378 -9.243 1.00 0.00 C ATOM 446 O GLU A 29 -13.196 -4.457 -8.673 1.00 0.00 O ATOM 447 CB GLU A 29 -13.249 -5.740 -11.656 1.00 0.00 C ATOM 448 CG GLU A 29 -13.537 -7.253 -11.491 1.00 0.00 C ATOM 449 CD GLU A 29 -14.445 -7.732 -12.594 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.919 -8.138 -13.667 1.00 0.00 O ATOM 451 OE2 GLU A 29 -15.690 -7.705 -12.400 1.00 0.00 O ATOM 0 H GLU A 29 -10.776 -6.343 -11.737 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.082 -4.113 -10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.178 -5.188 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.917 -5.554 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.602 -7.813 -11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.000 -7.439 -10.522 1.00 0.00 H new ATOM 458 N LYS A 30 -12.388 -6.564 -8.643 1.00 0.00 N ATOM 459 CA LYS A 30 -12.888 -6.810 -7.291 1.00 0.00 C ATOM 460 C LYS A 30 -12.141 -5.933 -6.319 1.00 0.00 C ATOM 461 O LYS A 30 -12.765 -5.229 -5.542 1.00 0.00 O ATOM 462 CB LYS A 30 -12.731 -8.300 -6.868 1.00 0.00 C ATOM 463 CG LYS A 30 -13.724 -9.205 -7.637 1.00 0.00 C ATOM 464 CD LYS A 30 -13.464 -10.711 -7.366 1.00 0.00 C ATOM 465 CE LYS A 30 -14.456 -11.636 -8.126 1.00 0.00 C ATOM 466 NZ LYS A 30 -14.360 -11.516 -9.601 1.00 0.00 N ATOM 0 H LYS A 30 -11.865 -7.333 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.952 -6.575 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.710 -8.630 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.901 -8.397 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.744 -8.955 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.641 -9.009 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.444 -10.958 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.542 -10.902 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.268 -12.671 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.473 -11.399 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.198 -11.018 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.504 -10.981 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.311 -12.465 -10.024 1.00 0.00 H new ATOM 480 N ALA A 31 -10.794 -5.976 -6.363 1.00 0.00 N ATOM 481 CA ALA A 31 -9.993 -5.233 -5.394 1.00 0.00 C ATOM 482 C ALA A 31 -10.476 -3.809 -5.218 1.00 0.00 C ATOM 483 O ALA A 31 -10.387 -3.329 -4.098 1.00 0.00 O ATOM 484 CB ALA A 31 -8.490 -5.294 -5.771 1.00 0.00 C ATOM 0 H ALA A 31 -10.256 -6.508 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.118 -5.715 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.908 -4.735 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.159 -6.333 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.345 -4.857 -6.759 1.00 0.00 H new ATOM 490 N ARG A 32 -10.995 -3.128 -6.270 1.00 0.00 N ATOM 491 CA ARG A 32 -11.524 -1.771 -6.088 1.00 0.00 C ATOM 492 C ARG A 32 -13.013 -1.789 -5.832 1.00 0.00 C ATOM 493 O ARG A 32 -13.465 -0.934 -5.085 1.00 0.00 O ATOM 494 CB ARG A 32 -11.110 -0.787 -7.218 1.00 0.00 C ATOM 495 CG ARG A 32 -11.811 -0.944 -8.600 1.00 0.00 C ATOM 496 CD ARG A 32 -13.253 -0.364 -8.660 1.00 0.00 C ATOM 497 NE ARG A 32 -13.623 -0.033 -10.040 1.00 0.00 N ATOM 498 CZ ARG A 32 -14.064 -0.905 -10.923 1.00 0.00 C ATOM 499 NH1 ARG A 32 -14.195 -2.187 -10.672 1.00 0.00 N ATOM 500 NH2 ARG A 32 -14.392 -0.475 -12.122 1.00 0.00 N ATOM 0 H ARG A 32 -11.054 -3.490 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.052 -1.371 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.290 0.228 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.035 -0.885 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.203 -0.453 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.848 -2.003 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.959 -1.088 -8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.317 0.528 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.533 0.939 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.950 -2.554 -9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.542 -2.816 -11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.302 0.515 -12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.736 -1.131 -12.823 1.00 0.00 H new ATOM 514 N ASN A 33 -13.808 -2.724 -6.410 1.00 0.00 N ATOM 515 CA ASN A 33 -15.239 -2.719 -6.116 1.00 0.00 C ATOM 516 C ASN A 33 -15.405 -2.893 -4.627 1.00 0.00 C ATOM 517 O ASN A 33 -16.069 -2.065 -4.023 1.00 0.00 O ATOM 518 CB ASN A 33 -16.072 -3.804 -6.852 1.00 0.00 C ATOM 519 CG ASN A 33 -16.169 -3.592 -8.346 1.00 0.00 C ATOM 520 OD1 ASN A 33 -15.713 -4.439 -9.098 1.00 0.00 O ATOM 521 ND2 ASN A 33 -16.772 -2.479 -8.820 1.00 0.00 N ATOM 0 H ASN A 33 -13.491 -3.452 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.627 -1.767 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.628 -4.781 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -17.077 -3.824 -6.432 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.854 -2.332 -9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.145 -1.786 -8.172 1.00 0.00 H new ATOM 528 N PHE A 34 -14.807 -3.943 -4.013 1.00 0.00 N ATOM 529 CA PHE A 34 -14.911 -4.081 -2.570 1.00 0.00 C ATOM 530 C PHE A 34 -13.857 -3.197 -1.955 1.00 0.00 C ATOM 531 O PHE A 34 -12.889 -2.884 -2.631 1.00 0.00 O ATOM 532 CB PHE A 34 -14.831 -5.558 -2.119 1.00 0.00 C ATOM 533 CG PHE A 34 -13.405 -6.120 -2.063 1.00 0.00 C ATOM 534 CD1 PHE A 34 -12.621 -5.908 -0.926 1.00 0.00 C ATOM 535 CD2 PHE A 34 -12.908 -6.886 -3.120 1.00 0.00 C ATOM 536 CE1 PHE A 34 -11.395 -6.560 -0.808 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.624 -7.434 -3.052 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.861 -7.252 -1.896 1.00 0.00 C ATOM 0 H PHE A 34 -14.272 -4.671 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.891 -3.755 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.285 -5.650 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.424 -6.168 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.962 -5.244 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.519 -7.056 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.857 -6.530 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.225 -7.993 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.857 -7.647 -1.844 1.00 0.00 H new ATOM 548 N LYS A 35 -14.046 -2.770 -0.687 1.00 0.00 N ATOM 549 CA LYS A 35 -13.140 -1.788 -0.102 1.00 0.00 C ATOM 550 C LYS A 35 -12.057 -2.572 0.596 1.00 0.00 C ATOM 551 O LYS A 35 -12.298 -3.025 1.704 1.00 0.00 O ATOM 552 CB LYS A 35 -13.887 -0.837 0.877 1.00 0.00 C ATOM 553 CG LYS A 35 -14.807 0.187 0.149 1.00 0.00 C ATOM 554 CD LYS A 35 -15.954 -0.452 -0.679 1.00 0.00 C ATOM 555 CE LYS A 35 -16.897 0.627 -1.278 1.00 0.00 C ATOM 556 NZ LYS A 35 -17.947 0.014 -2.126 1.00 0.00 N ATOM 0 H LYS A 35 -14.798 -3.085 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.714 -1.142 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.488 -1.432 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.156 -0.297 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.241 0.857 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.195 0.799 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.531 -1.054 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.529 -1.127 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.363 1.194 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.315 1.334 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.420 0.754 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.513 -0.679 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.646 -0.464 -1.522 1.00 0.00 H new ATOM 570 N ILE A 36 -10.863 -2.743 -0.022 1.00 0.00 N ATOM 571 CA ILE A 36 -9.787 -3.438 0.679 1.00 0.00 C ATOM 572 C ILE A 36 -9.544 -2.636 1.935 1.00 0.00 C ATOM 573 O ILE A 36 -9.466 -1.422 1.832 1.00 0.00 O ATOM 574 CB ILE A 36 -8.487 -3.619 -0.167 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.673 -4.755 -1.217 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.268 -3.913 0.753 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.538 -4.864 -2.268 1.00 0.00 C ATOM 0 H ILE A 36 -10.638 -2.421 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.082 -4.464 0.898 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.292 -2.688 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.754 -5.706 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.617 -4.597 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.373 -4.036 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.125 -3.082 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.450 -4.827 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.756 -5.682 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.468 -3.930 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.592 -5.057 -1.763 1.00 0.00 H new ATOM 589 N VAL A 37 -9.434 -3.292 3.114 1.00 0.00 N ATOM 590 CA VAL A 37 -9.220 -2.556 4.354 1.00 0.00 C ATOM 591 C VAL A 37 -7.733 -2.461 4.542 1.00 0.00 C ATOM 592 O VAL A 37 -7.014 -3.332 4.078 1.00 0.00 O ATOM 593 CB VAL A 37 -9.922 -3.214 5.574 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.608 -2.548 6.944 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.451 -3.177 5.343 1.00 0.00 C ATOM 0 H VAL A 37 -9.490 -4.305 3.219 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.669 -1.565 4.286 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.533 -4.230 5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.142 -3.074 7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.536 -2.596 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.926 -1.506 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.958 -3.636 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.779 -2.142 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.695 -3.727 4.434 1.00 0.00 H new ATOM 605 N THR A 38 -7.282 -1.391 5.226 1.00 0.00 N ATOM 606 CA THR A 38 -5.864 -1.199 5.478 1.00 0.00 C ATOM 607 C THR A 38 -5.729 -0.807 6.922 1.00 0.00 C ATOM 608 O THR A 38 -6.496 0.042 7.341 1.00 0.00 O ATOM 609 CB THR A 38 -5.253 -0.132 4.534 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.092 -0.677 3.211 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.864 0.318 5.058 1.00 0.00 C ATOM 0 H THR A 38 -7.883 -0.660 5.606 1.00 0.00 H new ATOM 0 HA THR A 38 -5.311 -2.117 5.277 1.00 0.00 H new ATOM 0 HB THR A 38 -5.928 0.723 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.707 0.004 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.447 1.067 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.972 0.745 6.055 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.196 -0.542 5.102 1.00 0.00 H new ATOM 619 N GLU A 39 -4.777 -1.390 7.680 1.00 0.00 N ATOM 620 CA GLU A 39 -4.544 -0.941 9.047 1.00 0.00 C ATOM 621 C GLU A 39 -3.065 -0.777 9.238 1.00 0.00 C ATOM 622 O GLU A 39 -2.321 -1.349 8.457 1.00 0.00 O ATOM 623 CB GLU A 39 -5.155 -1.904 10.102 1.00 0.00 C ATOM 624 CG GLU A 39 -4.338 -3.212 10.247 1.00 0.00 C ATOM 625 CD GLU A 39 -2.980 -3.020 10.875 1.00 0.00 C ATOM 626 OE1 GLU A 39 -2.917 -2.391 11.964 1.00 0.00 O ATOM 627 OE2 GLU A 39 -1.965 -3.491 10.293 1.00 0.00 O ATOM 0 H GLU A 39 -4.176 -2.153 7.369 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.048 0.013 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.203 -1.399 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.179 -2.147 9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.908 -3.920 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.211 -3.660 9.262 1.00 0.00 H new ATOM 634 N VAL A 40 -2.639 -0.008 10.266 1.00 0.00 N ATOM 635 CA VAL A 40 -1.212 0.155 10.504 1.00 0.00 C ATOM 636 C VAL A 40 -0.938 0.233 11.986 1.00 0.00 C ATOM 637 O VAL A 40 -1.759 0.801 12.688 1.00 0.00 O ATOM 638 CB VAL A 40 -0.671 1.433 9.799 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.878 1.465 9.845 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.125 1.510 8.318 1.00 0.00 C ATOM 0 H VAL A 40 -3.249 0.488 10.916 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.698 -0.711 10.088 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.080 2.288 10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.238 2.365 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.211 1.466 10.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.275 0.586 9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.727 2.416 7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.754 0.639 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.214 1.529 8.272 1.00 0.00 H new ATOM 650 N GLN A 41 0.204 -0.313 12.466 1.00 0.00 N ATOM 651 CA GLN A 41 0.618 -0.093 13.849 1.00 0.00 C ATOM 652 C GLN A 41 2.113 0.120 13.810 1.00 0.00 C ATOM 653 O GLN A 41 2.856 -0.833 13.970 1.00 0.00 O ATOM 654 CB GLN A 41 0.185 -1.246 14.791 1.00 0.00 C ATOM 655 CG GLN A 41 -1.349 -1.273 15.020 1.00 0.00 C ATOM 656 CD GLN A 41 -1.730 -2.430 15.912 1.00 0.00 C ATOM 657 OE1 GLN A 41 -2.043 -2.210 17.071 1.00 0.00 O ATOM 658 NE2 GLN A 41 -1.707 -3.680 15.396 1.00 0.00 N ATOM 0 H GLN A 41 0.837 -0.897 11.919 1.00 0.00 H new ATOM 0 HA GLN A 41 0.123 0.781 14.273 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.504 -2.198 14.367 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.692 -1.139 15.750 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.672 -0.335 15.473 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.864 -1.359 14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.440 -3.825 14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.957 -4.478 15.981 1.00 0.00 H new ATOM 667 N GLN A 42 2.564 1.375 13.574 1.00 0.00 N ATOM 668 CA GLN A 42 3.998 1.644 13.494 1.00 0.00 C ATOM 669 C GLN A 42 4.617 1.317 14.831 1.00 0.00 C ATOM 670 O GLN A 42 3.927 1.431 15.833 1.00 0.00 O ATOM 671 CB GLN A 42 4.266 3.099 13.021 1.00 0.00 C ATOM 672 CG GLN A 42 5.758 3.504 12.880 1.00 0.00 C ATOM 673 CD GLN A 42 6.425 3.948 14.158 1.00 0.00 C ATOM 674 OE1 GLN A 42 5.861 3.801 15.231 1.00 0.00 O ATOM 675 NE2 GLN A 42 7.648 4.517 14.060 1.00 0.00 N ATOM 0 H GLN A 42 1.965 2.190 13.440 1.00 0.00 H new ATOM 0 HA GLN A 42 4.469 1.011 12.742 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.778 3.242 12.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.789 3.782 13.724 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.311 2.657 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.832 4.311 12.151 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.089 4.624 13.147 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.129 4.839 14.900 1.00 0.00 H new ATOM 684 N ASP A 43 5.899 0.889 14.861 1.00 0.00 N ATOM 685 CA ASP A 43 6.504 0.399 16.095 1.00 0.00 C ATOM 686 C ASP A 43 7.964 0.780 16.072 1.00 0.00 C ATOM 687 O ASP A 43 8.818 -0.082 15.932 1.00 0.00 O ATOM 688 CB ASP A 43 6.284 -1.135 16.105 1.00 0.00 C ATOM 689 CG ASP A 43 6.837 -1.751 17.365 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.230 -1.530 18.448 1.00 0.00 O ATOM 691 OD2 ASP A 43 7.879 -2.457 17.284 1.00 0.00 O ATOM 0 H ASP A 43 6.518 0.877 14.050 1.00 0.00 H new ATOM 0 HA ASP A 43 6.069 0.824 17.000 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.219 -1.354 16.026 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.767 -1.581 15.235 1.00 0.00 H new ATOM 696 N GLY A 44 8.261 2.094 16.185 1.00 0.00 N ATOM 697 CA GLY A 44 9.643 2.530 16.032 1.00 0.00 C ATOM 698 C GLY A 44 10.065 2.372 14.591 1.00 0.00 C ATOM 699 O GLY A 44 9.221 2.300 13.712 1.00 0.00 O ATOM 0 H GLY A 44 7.585 2.834 16.374 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.743 3.571 16.339 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.294 1.943 16.679 1.00 0.00 H new ATOM 703 N GLN A 45 11.393 2.319 14.354 1.00 0.00 N ATOM 704 CA GLN A 45 11.921 2.068 13.009 1.00 0.00 C ATOM 705 C GLN A 45 11.212 0.882 12.385 1.00 0.00 C ATOM 706 O GLN A 45 10.990 0.912 11.186 1.00 0.00 O ATOM 707 CB GLN A 45 13.458 1.827 13.110 1.00 0.00 C ATOM 708 CG GLN A 45 14.191 1.946 11.751 1.00 0.00 C ATOM 709 CD GLN A 45 15.657 1.608 11.892 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.066 0.538 11.469 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.476 2.502 12.488 1.00 0.00 N ATOM 0 H GLN A 45 12.107 2.446 15.072 1.00 0.00 H new ATOM 0 HA GLN A 45 11.743 2.930 12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.886 2.546 13.809 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.636 0.835 13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.729 1.277 11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.084 2.959 11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 45 16.102 3.387 12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.468 2.292 12.596 1.00 0.00 H new ATOM 720 N ASP A 46 10.830 -0.160 13.164 1.00 0.00 N ATOM 721 CA ASP A 46 10.041 -1.253 12.592 1.00 0.00 C ATOM 722 C ASP A 46 8.593 -0.843 12.431 1.00 0.00 C ATOM 723 O ASP A 46 8.116 -0.085 13.259 1.00 0.00 O ATOM 724 CB ASP A 46 10.119 -2.554 13.426 1.00 0.00 C ATOM 725 CG ASP A 46 9.246 -3.625 12.819 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.621 -4.160 11.741 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.175 -3.934 13.409 1.00 0.00 O ATOM 0 H ASP A 46 11.051 -0.257 14.155 1.00 0.00 H new ATOM 0 HA ASP A 46 10.477 -1.462 11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.151 -2.901 13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.803 -2.356 14.450 1.00 0.00 H new ATOM 732 N PHE A 47 7.885 -1.337 11.383 1.00 0.00 N ATOM 733 CA PHE A 47 6.454 -1.064 11.216 1.00 0.00 C ATOM 734 C PHE A 47 5.730 -2.390 11.178 1.00 0.00 C ATOM 735 O PHE A 47 6.380 -3.397 10.945 1.00 0.00 O ATOM 736 CB PHE A 47 6.116 -0.319 9.896 1.00 0.00 C ATOM 737 CG PHE A 47 6.436 1.190 9.895 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.705 1.664 10.249 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.461 2.123 9.518 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.979 3.036 10.257 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.779 3.477 9.373 1.00 0.00 C ATOM 742 CZ PHE A 47 7.037 3.940 9.763 1.00 0.00 C ATOM 0 H PHE A 47 8.288 -1.922 10.651 1.00 0.00 H new ATOM 0 HA PHE A 47 6.149 -0.427 12.046 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.664 -0.791 9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.055 -0.450 9.685 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.481 0.963 10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.449 1.792 9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.920 3.396 10.646 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.054 4.163 8.961 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.279 4.989 9.683 1.00 0.00 H new ATOM 752 N THR A 48 4.390 -2.395 11.393 1.00 0.00 N ATOM 753 CA THR A 48 3.626 -3.640 11.345 1.00 0.00 C ATOM 754 C THR A 48 2.382 -3.318 10.540 1.00 0.00 C ATOM 755 O THR A 48 1.298 -3.187 11.086 1.00 0.00 O ATOM 756 CB THR A 48 3.377 -4.160 12.798 1.00 0.00 C ATOM 757 OG1 THR A 48 2.146 -3.691 13.367 1.00 0.00 O ATOM 758 CG2 THR A 48 4.486 -3.706 13.783 1.00 0.00 C ATOM 0 H THR A 48 3.837 -1.562 11.596 1.00 0.00 H new ATOM 0 HA THR A 48 4.142 -4.467 10.857 1.00 0.00 H new ATOM 0 HB THR A 48 3.358 -5.244 12.682 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.425 -3.787 12.711 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.268 -4.092 14.779 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.450 -4.089 13.448 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.520 -2.617 13.815 1.00 0.00 H new ATOM 766 N TRP A 49 2.535 -3.153 9.208 1.00 0.00 N ATOM 767 CA TRP A 49 1.404 -2.721 8.387 1.00 0.00 C ATOM 768 C TRP A 49 0.543 -3.923 8.099 1.00 0.00 C ATOM 769 O TRP A 49 1.054 -5.025 8.212 1.00 0.00 O ATOM 770 CB TRP A 49 1.940 -2.206 7.030 1.00 0.00 C ATOM 771 CG TRP A 49 1.165 -1.172 6.268 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.110 -1.322 5.451 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.526 0.289 6.266 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.182 -0.164 4.913 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.651 0.809 5.335 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.459 1.068 6.946 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.721 2.148 4.954 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.469 2.434 6.645 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.655 2.948 5.626 1.00 0.00 C ATOM 0 H TRP A 49 3.405 -3.309 8.699 1.00 0.00 H new ATOM 0 HA TRP A 49 0.843 -1.943 8.906 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.937 -1.801 7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.058 -3.071 6.377 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.414 -2.248 5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.947 -0.016 4.255 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.139 0.640 7.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.086 2.550 4.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.111 3.100 7.203 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.750 3.988 5.352 1.00 0.00 H new ATOM 790 N SER A 50 -0.728 -3.751 7.677 1.00 0.00 N ATOM 791 CA SER A 50 -1.453 -4.885 7.108 1.00 0.00 C ATOM 792 C SER A 50 -2.504 -4.415 6.132 1.00 0.00 C ATOM 793 O SER A 50 -2.933 -3.278 6.248 1.00 0.00 O ATOM 794 CB SER A 50 -2.072 -5.886 8.112 1.00 0.00 C ATOM 795 OG SER A 50 -1.115 -6.398 9.053 1.00 0.00 O ATOM 0 H SER A 50 -1.247 -2.874 7.720 1.00 0.00 H new ATOM 0 HA SER A 50 -0.675 -5.456 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.881 -5.396 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.514 -6.717 7.563 1.00 0.00 H new ATOM 0 HG SER A 50 -0.595 -7.115 8.634 1.00 0.00 H new ATOM 801 N GLN A 51 -2.910 -5.285 5.175 1.00 0.00 N ATOM 802 CA GLN A 51 -3.900 -4.910 4.172 1.00 0.00 C ATOM 803 C GLN A 51 -4.942 -6.005 4.178 1.00 0.00 C ATOM 804 O GLN A 51 -4.714 -7.022 3.541 1.00 0.00 O ATOM 805 CB GLN A 51 -3.199 -4.719 2.801 1.00 0.00 C ATOM 806 CG GLN A 51 -2.011 -3.723 2.926 1.00 0.00 C ATOM 807 CD GLN A 51 -1.425 -3.312 1.597 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.961 -3.666 0.559 1.00 0.00 O ATOM 809 NE2 GLN A 51 -0.311 -2.546 1.605 1.00 0.00 N ATOM 0 H GLN A 51 -2.562 -6.240 5.088 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.389 -3.959 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.838 -5.680 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.916 -4.348 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.349 -2.832 3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.229 -4.178 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.111 -2.268 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.108 -2.246 0.725 1.00 0.00 H new ATOM 818 N HIS A 52 -6.068 -5.835 4.914 1.00 0.00 N ATOM 819 CA HIS A 52 -7.023 -6.931 5.057 1.00 0.00 C ATOM 820 C HIS A 52 -7.949 -6.898 3.874 1.00 0.00 C ATOM 821 O HIS A 52 -8.481 -5.831 3.619 1.00 0.00 O ATOM 822 CB HIS A 52 -7.843 -6.942 6.369 1.00 0.00 C ATOM 823 CG HIS A 52 -6.949 -6.576 7.518 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.301 -7.455 8.242 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.685 -5.327 7.947 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.591 -6.841 9.132 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.773 -5.605 9.023 1.00 0.00 N ATOM 0 H HIS A 52 -6.321 -4.974 5.399 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.434 -7.847 5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.671 -6.237 6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.277 -7.929 6.531 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.349 -8.467 8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.055 -4.380 7.584 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.944 -7.317 9.854 1.00 0.00 H new ATOM 835 N TYR A 53 -8.154 -8.017 3.142 1.00 0.00 N ATOM 836 CA TYR A 53 -9.032 -7.951 1.980 1.00 0.00 C ATOM 837 C TYR A 53 -10.458 -8.074 2.478 1.00 0.00 C ATOM 838 O TYR A 53 -11.052 -7.042 2.748 1.00 0.00 O ATOM 839 CB TYR A 53 -8.640 -8.969 0.876 1.00 0.00 C ATOM 840 CG TYR A 53 -7.346 -8.636 0.107 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.347 -7.794 0.616 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.154 -9.211 -1.155 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.156 -7.596 -0.086 1.00 0.00 C ATOM 844 CE2 TYR A 53 -5.964 -9.014 -1.862 1.00 0.00 C ATOM 845 CZ TYR A 53 -4.944 -8.230 -1.312 1.00 0.00 C ATOM 846 OH TYR A 53 -3.717 -8.065 -1.963 1.00 0.00 O ATOM 0 H TYR A 53 -7.740 -8.930 3.332 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.926 -6.992 1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.529 -9.952 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.460 -9.040 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.500 -7.293 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.937 -9.816 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.394 -6.948 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.832 -9.467 -2.833 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.722 -8.569 -2.804 1.00 0.00 H new ATOM 856 N SER A 54 -11.024 -9.297 2.615 1.00 0.00 N ATOM 857 CA SER A 54 -12.421 -9.436 3.032 1.00 0.00 C ATOM 858 C SER A 54 -12.730 -10.893 3.319 1.00 0.00 C ATOM 859 O SER A 54 -13.062 -11.217 4.449 1.00 0.00 O ATOM 860 CB SER A 54 -13.411 -8.904 1.959 1.00 0.00 C ATOM 861 OG SER A 54 -13.421 -7.466 1.935 1.00 0.00 O ATOM 0 H SER A 54 -10.539 -10.178 2.445 1.00 0.00 H new ATOM 0 HA SER A 54 -12.551 -8.836 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.129 -9.286 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.414 -9.275 2.169 1.00 0.00 H new ATOM 0 HG SER A 54 -12.717 -7.124 2.525 1.00 0.00 H new ATOM 867 N GLY A 55 -12.629 -11.790 2.308 1.00 0.00 N ATOM 868 CA GLY A 55 -12.931 -13.198 2.546 1.00 0.00 C ATOM 869 C GLY A 55 -11.804 -13.825 3.327 1.00 0.00 C ATOM 870 O GLY A 55 -12.022 -14.236 4.456 1.00 0.00 O ATOM 0 H GLY A 55 -12.349 -11.562 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.867 -13.293 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.065 -13.718 1.598 1.00 0.00 H new ATOM 874 N GLY A 56 -10.588 -13.907 2.738 1.00 0.00 N ATOM 875 CA GLY A 56 -9.484 -14.550 3.444 1.00 0.00 C ATOM 876 C GLY A 56 -8.157 -14.302 2.766 1.00 0.00 C ATOM 877 O GLY A 56 -7.505 -15.253 2.363 1.00 0.00 O ATOM 0 H GLY A 56 -10.363 -13.547 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.443 -14.178 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.667 -15.623 3.502 1.00 0.00 H new ATOM 881 N HIS A 57 -7.747 -13.018 2.647 1.00 0.00 N ATOM 882 CA HIS A 57 -6.446 -12.698 2.060 1.00 0.00 C ATOM 883 C HIS A 57 -5.912 -11.492 2.797 1.00 0.00 C ATOM 884 O HIS A 57 -5.904 -10.404 2.243 1.00 0.00 O ATOM 885 CB HIS A 57 -6.575 -12.519 0.525 1.00 0.00 C ATOM 886 CG HIS A 57 -5.223 -12.441 -0.144 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.437 -11.351 -0.227 1.00 0.00 N flip ATOM 888 CD2 HIS A 57 -4.638 -13.456 -0.743 1.00 0.00 C flip ATOM 889 CE1 HIS A 57 -3.315 -11.866 -0.965 1.00 0.00 C flip ATOM 890 NE2 HIS A 57 -3.497 -13.078 -1.230 1.00 0.00 N flip ATOM 0 H HIS A 57 -8.292 -12.209 2.946 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.725 -13.507 2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.140 -13.353 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.140 -11.612 0.311 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.595 -10.411 0.136 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.046 -14.453 -0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.444 -11.293 -1.249 1.00 0.00 H new ATOM 898 N THR A 58 -5.464 -11.670 4.065 1.00 0.00 N ATOM 899 CA THR A 58 -4.808 -10.563 4.747 1.00 0.00 C ATOM 900 C THR A 58 -3.416 -10.497 4.174 1.00 0.00 C ATOM 901 O THR A 58 -2.555 -11.221 4.648 1.00 0.00 O ATOM 902 CB THR A 58 -4.756 -10.647 6.297 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.111 -10.695 6.777 1.00 0.00 O ATOM 904 CG2 THR A 58 -3.981 -9.425 6.873 1.00 0.00 C ATOM 0 H THR A 58 -5.546 -12.533 4.603 1.00 0.00 H new ATOM 0 HA THR A 58 -5.399 -9.664 4.573 1.00 0.00 H new ATOM 0 HB THR A 58 -4.225 -11.541 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.110 -10.750 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.950 -9.493 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.964 -9.421 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.486 -8.504 6.582 1.00 0.00 H new ATOM 912 N MET A 59 -3.173 -9.632 3.165 1.00 0.00 N ATOM 913 CA MET A 59 -1.800 -9.441 2.705 1.00 0.00 C ATOM 914 C MET A 59 -1.171 -8.542 3.743 1.00 0.00 C ATOM 915 O MET A 59 -1.931 -7.867 4.420 1.00 0.00 O ATOM 916 CB MET A 59 -1.745 -8.752 1.314 1.00 0.00 C ATOM 917 CG MET A 59 -0.468 -9.131 0.512 1.00 0.00 C ATOM 918 SD MET A 59 0.059 -7.775 -0.580 1.00 0.00 S ATOM 919 CE MET A 59 0.420 -6.480 0.644 1.00 0.00 C ATOM 0 H MET A 59 -3.881 -9.082 2.678 1.00 0.00 H new ATOM 0 HA MET A 59 -1.287 -10.396 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.628 -9.031 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.780 -7.671 1.446 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.338 -9.377 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.662 -10.024 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.419 -5.786 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.576 -6.937 1.621 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.319 -5.940 0.348 1.00 0.00 H new ATOM 929 N THR A 60 0.173 -8.492 3.901 1.00 0.00 N ATOM 930 CA THR A 60 0.753 -7.600 4.902 1.00 0.00 C ATOM 931 C THR A 60 2.044 -6.968 4.430 1.00 0.00 C ATOM 932 O THR A 60 2.706 -7.559 3.592 1.00 0.00 O ATOM 933 CB THR A 60 0.854 -8.383 6.243 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.335 -8.135 7.013 1.00 0.00 O ATOM 935 CG2 THR A 60 2.134 -8.082 7.069 1.00 0.00 C ATOM 0 H THR A 60 0.845 -9.041 3.365 1.00 0.00 H new ATOM 0 HA THR A 60 0.107 -6.738 5.070 1.00 0.00 H new ATOM 0 HB THR A 60 0.936 -9.441 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.090 -7.979 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.122 -8.670 7.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.015 -8.343 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.165 -7.021 7.318 1.00 0.00 H new ATOM 943 N ASN A 61 2.395 -5.767 4.961 1.00 0.00 N ATOM 944 CA ASN A 61 3.629 -5.083 4.575 1.00 0.00 C ATOM 945 C ASN A 61 4.382 -4.750 5.846 1.00 0.00 C ATOM 946 O ASN A 61 4.484 -3.588 6.205 1.00 0.00 O ATOM 947 CB ASN A 61 3.363 -3.809 3.721 1.00 0.00 C ATOM 948 CG ASN A 61 2.509 -4.068 2.506 1.00 0.00 C ATOM 949 OD1 ASN A 61 1.470 -4.689 2.657 1.00 0.00 O ATOM 950 ND2 ASN A 61 2.891 -3.584 1.303 1.00 0.00 N ATOM 0 H ASN A 61 1.836 -5.266 5.652 1.00 0.00 H new ATOM 0 HA ASN A 61 4.223 -5.738 3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.877 -3.058 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.317 -3.389 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.303 -3.734 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.767 -3.069 1.215 1.00 0.00 H new ATOM 957 N LYS A 62 4.931 -5.761 6.557 1.00 0.00 N ATOM 958 CA LYS A 62 5.797 -5.448 7.693 1.00 0.00 C ATOM 959 C LYS A 62 7.130 -5.044 7.108 1.00 0.00 C ATOM 960 O LYS A 62 7.481 -5.561 6.058 1.00 0.00 O ATOM 961 CB LYS A 62 5.954 -6.585 8.741 1.00 0.00 C ATOM 962 CG LYS A 62 6.677 -7.853 8.205 1.00 0.00 C ATOM 963 CD LYS A 62 6.995 -8.888 9.322 1.00 0.00 C ATOM 964 CE LYS A 62 5.728 -9.459 10.018 1.00 0.00 C ATOM 965 NZ LYS A 62 6.074 -10.557 10.950 1.00 0.00 N ATOM 0 H LYS A 62 4.793 -6.754 6.369 1.00 0.00 H new ATOM 0 HA LYS A 62 5.335 -4.648 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.507 -6.200 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.966 -6.870 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.054 -8.326 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.605 -7.556 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.565 -9.711 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.631 -8.417 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.220 -8.663 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.030 -9.825 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.208 -10.917 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.537 -11.326 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.721 -10.200 11.682 1.00 0.00 H new ATOM 979 N PHE A 63 7.881 -4.129 7.760 1.00 0.00 N ATOM 980 CA PHE A 63 9.177 -3.716 7.221 1.00 0.00 C ATOM 981 C PHE A 63 9.916 -2.900 8.253 1.00 0.00 C ATOM 982 O PHE A 63 9.294 -2.523 9.233 1.00 0.00 O ATOM 983 CB PHE A 63 9.015 -2.895 5.913 1.00 0.00 C ATOM 984 CG PHE A 63 8.022 -1.739 6.102 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.394 -0.589 6.803 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.732 -1.825 5.564 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.469 0.441 7.004 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.790 -0.822 5.808 1.00 0.00 C ATOM 989 CZ PHE A 63 6.154 0.303 6.551 1.00 0.00 C ATOM 0 H PHE A 63 7.614 -3.678 8.635 1.00 0.00 H new ATOM 0 HA PHE A 63 9.747 -4.613 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.983 -2.500 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.669 -3.548 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.398 -0.495 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.462 -2.675 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.772 1.345 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.785 -0.916 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.421 1.064 6.775 1.00 0.00 H new ATOM 999 N THR A 64 11.222 -2.614 8.041 1.00 0.00 N ATOM 1000 CA THR A 64 11.963 -1.752 8.958 1.00 0.00 C ATOM 1001 C THR A 64 12.634 -0.693 8.118 1.00 0.00 C ATOM 1002 O THR A 64 13.243 -1.052 7.123 1.00 0.00 O ATOM 1003 CB THR A 64 12.912 -2.579 9.861 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.165 -3.496 10.680 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.722 -1.659 10.807 1.00 0.00 C ATOM 0 H THR A 64 11.766 -2.966 7.254 1.00 0.00 H new ATOM 0 HA THR A 64 11.310 -1.251 9.672 1.00 0.00 H new ATOM 0 HB THR A 64 13.586 -3.123 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.220 -3.238 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.380 -2.266 11.429 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.320 -0.965 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.037 -1.097 11.443 1.00 0.00 H new ATOM 1013 N VAL A 65 12.492 0.608 8.476 1.00 0.00 N ATOM 1014 CA VAL A 65 12.864 1.671 7.558 1.00 0.00 C ATOM 1015 C VAL A 65 14.342 1.929 7.702 1.00 0.00 C ATOM 1016 O VAL A 65 14.879 1.720 8.777 1.00 0.00 O ATOM 1017 CB VAL A 65 11.958 2.936 7.692 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.494 2.587 8.063 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.497 4.021 8.653 1.00 0.00 C ATOM 0 H VAL A 65 12.130 0.924 9.376 1.00 0.00 H new ATOM 0 HA VAL A 65 12.682 1.356 6.531 1.00 0.00 H new ATOM 0 HB VAL A 65 11.978 3.367 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.910 3.504 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.065 1.950 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.476 2.061 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.802 4.860 8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.601 3.602 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.469 4.367 8.302 1.00 0.00 H new ATOM 1029 N GLY A 66 15.027 2.350 6.617 1.00 0.00 N ATOM 1030 CA GLY A 66 16.477 2.463 6.672 1.00 0.00 C ATOM 1031 C GLY A 66 17.131 1.125 6.924 1.00 0.00 C ATOM 1032 O GLY A 66 18.293 1.157 7.300 1.00 0.00 O ATOM 0 H GLY A 66 14.605 2.607 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.846 2.878 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.758 3.160 7.461 1.00 0.00 H new ATOM 1036 N LYS A 67 16.456 -0.042 6.737 1.00 0.00 N ATOM 1037 CA LYS A 67 17.117 -1.318 7.033 1.00 0.00 C ATOM 1038 C LYS A 67 16.776 -2.487 6.127 1.00 0.00 C ATOM 1039 O LYS A 67 17.109 -3.602 6.495 1.00 0.00 O ATOM 1040 CB LYS A 67 16.785 -1.674 8.511 1.00 0.00 C ATOM 1041 CG LYS A 67 17.989 -2.358 9.217 1.00 0.00 C ATOM 1042 CD LYS A 67 17.675 -2.826 10.667 1.00 0.00 C ATOM 1043 CE LYS A 67 16.812 -4.119 10.716 1.00 0.00 C ATOM 1044 NZ LYS A 67 16.585 -4.562 12.112 1.00 0.00 N ATOM 0 H LYS A 67 15.497 -0.115 6.397 1.00 0.00 H new ATOM 0 HA LYS A 67 18.181 -1.163 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.512 -0.768 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.920 -2.337 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 67 18.305 -3.218 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.828 -1.663 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.611 -3.001 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.154 -2.028 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.854 -3.938 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.309 -4.912 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.007 -5.426 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.499 -4.757 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.090 -3.814 12.637 1.00 0.00 H new ATOM 1058 N GLU A 68 16.143 -2.277 4.952 1.00 0.00 N ATOM 1059 CA GLU A 68 15.814 -3.367 4.035 1.00 0.00 C ATOM 1060 C GLU A 68 14.906 -4.436 4.605 1.00 0.00 C ATOM 1061 O GLU A 68 15.060 -4.806 5.757 1.00 0.00 O ATOM 1062 CB GLU A 68 17.100 -3.977 3.424 1.00 0.00 C ATOM 1063 CG GLU A 68 16.788 -4.773 2.134 1.00 0.00 C ATOM 1064 CD GLU A 68 18.054 -5.330 1.535 1.00 0.00 C ATOM 1065 OE1 GLU A 68 18.663 -6.233 2.170 1.00 0.00 O ATOM 1066 OE2 GLU A 68 18.450 -4.874 0.427 1.00 0.00 O ATOM 0 H GLU A 68 15.853 -1.356 4.624 1.00 0.00 H new ATOM 0 HA GLU A 68 15.222 -2.907 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.811 -3.182 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.575 -4.634 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.098 -5.586 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.292 -4.125 1.411 1.00 0.00 H new ATOM 1073 N SER A 69 13.946 -4.964 3.808 1.00 0.00 N ATOM 1074 CA SER A 69 13.095 -6.057 4.282 1.00 0.00 C ATOM 1075 C SER A 69 12.335 -6.635 3.109 1.00 0.00 C ATOM 1076 O SER A 69 12.171 -5.914 2.137 1.00 0.00 O ATOM 1077 CB SER A 69 12.054 -5.579 5.331 1.00 0.00 C ATOM 1078 OG SER A 69 12.618 -5.393 6.640 1.00 0.00 O ATOM 0 H SER A 69 13.752 -4.652 2.856 1.00 0.00 H new ATOM 0 HA SER A 69 13.746 -6.797 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.613 -4.640 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.246 -6.308 5.390 1.00 0.00 H new ATOM 0 HG SER A 69 13.587 -5.269 6.564 1.00 0.00 H new ATOM 1084 N ASN A 70 11.862 -7.904 3.175 1.00 0.00 N ATOM 1085 CA ASN A 70 11.044 -8.429 2.083 1.00 0.00 C ATOM 1086 C ASN A 70 9.652 -7.871 2.264 1.00 0.00 C ATOM 1087 O ASN A 70 9.250 -7.729 3.408 1.00 0.00 O ATOM 1088 CB ASN A 70 10.973 -9.973 1.973 1.00 0.00 C ATOM 1089 CG ASN A 70 10.457 -10.601 3.246 1.00 0.00 C ATOM 1090 OD1 ASN A 70 9.249 -10.686 3.407 1.00 0.00 O ATOM 1091 ND2 ASN A 70 11.336 -11.044 4.173 1.00 0.00 N ATOM 0 H ASN A 70 12.030 -8.551 3.945 1.00 0.00 H new ATOM 0 HA ASN A 70 11.520 -8.116 1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.324 -10.249 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.964 -10.368 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.996 -11.464 5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.339 -10.958 4.007 1.00 0.00 H new ATOM 1098 N ILE A 71 8.915 -7.539 1.174 1.00 0.00 N ATOM 1099 CA ILE A 71 7.599 -6.908 1.311 1.00 0.00 C ATOM 1100 C ILE A 71 6.655 -7.526 0.298 1.00 0.00 C ATOM 1101 O ILE A 71 7.119 -7.851 -0.782 1.00 0.00 O ATOM 1102 CB ILE A 71 7.771 -5.369 1.138 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.774 -4.834 2.202 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.412 -4.628 1.218 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.954 -3.296 2.205 1.00 0.00 C ATOM 0 H ILE A 71 9.212 -7.698 0.211 1.00 0.00 H new ATOM 0 HA ILE A 71 7.164 -7.077 2.296 1.00 0.00 H new ATOM 0 HB ILE A 71 8.174 -5.174 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.437 -5.149 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.745 -5.300 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.573 -3.557 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.753 -4.990 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.952 -4.815 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.670 -3.015 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.323 -2.971 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.996 -2.818 2.407 1.00 0.00 H new ATOM 1117 N GLN A 72 5.351 -7.712 0.622 1.00 0.00 N ATOM 1118 CA GLN A 72 4.439 -8.430 -0.279 1.00 0.00 C ATOM 1119 C GLN A 72 3.883 -7.520 -1.351 1.00 0.00 C ATOM 1120 O GLN A 72 3.640 -8.003 -2.444 1.00 0.00 O ATOM 1121 CB GLN A 72 3.237 -9.026 0.498 1.00 0.00 C ATOM 1122 CG GLN A 72 3.651 -9.992 1.638 1.00 0.00 C ATOM 1123 CD GLN A 72 4.393 -11.194 1.105 1.00 0.00 C ATOM 1124 OE1 GLN A 72 3.748 -12.160 0.729 1.00 0.00 O ATOM 1125 NE2 GLN A 72 5.744 -11.170 1.055 1.00 0.00 N ATOM 0 H GLN A 72 4.921 -7.379 1.485 1.00 0.00 H new ATOM 0 HA GLN A 72 5.028 -9.226 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.648 -8.211 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.591 -9.558 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.280 -9.463 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.763 -10.321 2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.252 -10.346 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.255 -11.976 0.695 1.00 0.00 H new ATOM 1134 N THR A 73 3.676 -6.221 -1.042 1.00 0.00 N ATOM 1135 CA THR A 73 3.379 -5.219 -2.069 1.00 0.00 C ATOM 1136 C THR A 73 1.939 -5.290 -2.501 1.00 0.00 C ATOM 1137 O THR A 73 1.091 -4.679 -1.869 1.00 0.00 O ATOM 1138 CB THR A 73 4.393 -5.176 -3.250 1.00 0.00 C ATOM 1139 OG1 THR A 73 4.288 -6.346 -4.079 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.822 -5.050 -2.678 1.00 0.00 C ATOM 0 H THR A 73 3.711 -5.851 -0.092 1.00 0.00 H new ATOM 0 HA THR A 73 3.521 -4.248 -1.594 1.00 0.00 H new ATOM 0 HB THR A 73 4.165 -4.314 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.041 -7.117 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.540 -5.019 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.900 -4.134 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.036 -5.908 -2.040 1.00 0.00 H new ATOM 1148 N MET A 74 1.671 -6.030 -3.595 1.00 0.00 N ATOM 1149 CA MET A 74 0.316 -6.135 -4.130 1.00 0.00 C ATOM 1150 C MET A 74 -0.223 -7.492 -3.749 1.00 0.00 C ATOM 1151 O MET A 74 -1.277 -7.566 -3.136 1.00 0.00 O ATOM 1152 CB MET A 74 0.341 -5.936 -5.670 1.00 0.00 C ATOM 1153 CG MET A 74 -1.002 -5.390 -6.225 1.00 0.00 C ATOM 1154 SD MET A 74 -2.469 -6.195 -5.489 1.00 0.00 S ATOM 1155 CE MET A 74 -2.420 -7.887 -6.157 1.00 0.00 C ATOM 0 H MET A 74 2.373 -6.556 -4.115 1.00 0.00 H new ATOM 0 HA MET A 74 -0.333 -5.362 -3.718 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.144 -5.247 -5.930 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.569 -6.887 -6.152 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.054 -4.317 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.024 -5.529 -7.306 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.931 -8.564 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.916 -7.910 -7.127 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.383 -8.203 -6.272 1.00 0.00 H new ATOM 1165 N GLY A 75 0.494 -8.585 -4.099 1.00 0.00 N ATOM 1166 CA GLY A 75 0.036 -9.907 -3.680 1.00 0.00 C ATOM 1167 C GLY A 75 1.026 -10.971 -4.089 1.00 0.00 C ATOM 1168 O GLY A 75 1.991 -11.179 -3.370 1.00 0.00 O ATOM 0 H GLY A 75 1.354 -8.572 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.098 -9.925 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.936 -10.118 -4.125 1.00 0.00 H new ATOM 1172 N GLY A 76 0.820 -11.636 -5.250 1.00 0.00 N ATOM 1173 CA GLY A 76 1.797 -12.617 -5.712 1.00 0.00 C ATOM 1174 C GLY A 76 3.044 -11.949 -6.241 1.00 0.00 C ATOM 1175 O GLY A 76 4.033 -12.646 -6.407 1.00 0.00 O ATOM 0 H GLY A 76 0.011 -11.510 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.061 -13.284 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.353 -13.233 -6.494 1.00 0.00 H new ATOM 1179 N LYS A 77 3.030 -10.622 -6.520 1.00 0.00 N ATOM 1180 CA LYS A 77 4.211 -9.954 -7.062 1.00 0.00 C ATOM 1181 C LYS A 77 5.038 -9.399 -5.920 1.00 0.00 C ATOM 1182 O LYS A 77 5.271 -8.202 -5.869 1.00 0.00 O ATOM 1183 CB LYS A 77 3.774 -8.856 -8.078 1.00 0.00 C ATOM 1184 CG LYS A 77 2.766 -9.344 -9.160 1.00 0.00 C ATOM 1185 CD LYS A 77 3.316 -10.525 -10.007 1.00 0.00 C ATOM 1186 CE LYS A 77 2.419 -10.858 -11.234 1.00 0.00 C ATOM 1187 NZ LYS A 77 1.075 -11.360 -10.863 1.00 0.00 N ATOM 0 H LYS A 77 2.224 -10.014 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 77 4.837 -10.661 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.326 -8.028 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.661 -8.465 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.840 -9.652 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.519 -8.513 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.320 -10.281 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.402 -11.409 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.308 -9.963 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.921 -11.605 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.021 -12.381 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.907 -11.188 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.352 -10.864 -11.423 1.00 0.00 H new ATOM 1201 N THR A 78 5.504 -10.259 -4.983 1.00 0.00 N ATOM 1202 CA THR A 78 6.339 -9.766 -3.886 1.00 0.00 C ATOM 1203 C THR A 78 7.655 -9.251 -4.419 1.00 0.00 C ATOM 1204 O THR A 78 8.068 -9.712 -5.470 1.00 0.00 O ATOM 1205 CB THR A 78 6.677 -10.845 -2.817 1.00 0.00 C ATOM 1206 OG1 THR A 78 7.347 -10.189 -1.727 1.00 0.00 O ATOM 1207 CG2 THR A 78 7.613 -11.959 -3.363 1.00 0.00 C ATOM 0 H THR A 78 5.319 -11.262 -4.970 1.00 0.00 H new ATOM 0 HA THR A 78 5.749 -8.981 -3.413 1.00 0.00 H new ATOM 0 HB THR A 78 5.745 -11.319 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.080 -9.246 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.815 -12.684 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.131 -12.461 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.551 -11.515 -3.696 1.00 0.00 H new ATOM 1215 N PHE A 79 8.331 -8.341 -3.679 1.00 0.00 N ATOM 1216 CA PHE A 79 9.707 -7.953 -4.008 1.00 0.00 C ATOM 1217 C PHE A 79 10.407 -7.600 -2.709 1.00 0.00 C ATOM 1218 O PHE A 79 9.727 -7.531 -1.696 1.00 0.00 O ATOM 1219 CB PHE A 79 9.845 -6.735 -4.971 1.00 0.00 C ATOM 1220 CG PHE A 79 8.690 -6.576 -5.968 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.516 -7.496 -7.007 1.00 0.00 C ATOM 1222 CD2 PHE A 79 7.806 -5.496 -5.870 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.410 -7.400 -7.857 1.00 0.00 C ATOM 1224 CE2 PHE A 79 6.655 -5.441 -6.658 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.475 -6.376 -7.674 1.00 0.00 C ATOM 0 H PHE A 79 7.944 -7.871 -2.861 1.00 0.00 H new ATOM 0 HA PHE A 79 10.146 -8.802 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.922 -5.825 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.777 -6.832 -5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.239 -8.284 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.017 -4.695 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.278 -8.116 -8.654 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.910 -4.679 -6.481 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.613 -6.310 -8.321 1.00 0.00 H new ATOM 1235 N LYS A 80 11.736 -7.346 -2.726 1.00 0.00 N ATOM 1236 CA LYS A 80 12.431 -6.837 -1.539 1.00 0.00 C ATOM 1237 C LYS A 80 12.775 -5.387 -1.788 1.00 0.00 C ATOM 1238 O LYS A 80 12.937 -5.034 -2.943 1.00 0.00 O ATOM 1239 CB LYS A 80 13.653 -7.741 -1.224 1.00 0.00 C ATOM 1240 CG LYS A 80 14.554 -7.215 -0.072 1.00 0.00 C ATOM 1241 CD LYS A 80 15.825 -8.086 0.153 1.00 0.00 C ATOM 1242 CE LYS A 80 15.568 -9.497 0.758 1.00 0.00 C ATOM 1243 NZ LYS A 80 15.049 -9.456 2.146 1.00 0.00 N ATOM 0 H LYS A 80 12.334 -7.485 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 80 11.805 -6.872 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.296 -8.738 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.257 -7.843 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.856 -6.191 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.974 -7.184 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.336 -8.206 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.504 -7.545 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.857 -10.031 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.498 -10.066 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.899 -10.426 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.736 -8.974 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.147 -8.939 2.164 1.00 0.00 H new ATOM 1257 N ALA A 81 12.863 -4.528 -0.743 1.00 0.00 N ATOM 1258 CA ALA A 81 13.003 -3.090 -0.977 1.00 0.00 C ATOM 1259 C ALA A 81 13.598 -2.394 0.221 1.00 0.00 C ATOM 1260 O ALA A 81 13.701 -3.039 1.252 1.00 0.00 O ATOM 1261 CB ALA A 81 11.580 -2.531 -1.172 1.00 0.00 C ATOM 0 H ALA A 81 12.839 -4.805 0.238 1.00 0.00 H new ATOM 0 HA ALA A 81 13.652 -2.926 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.632 -1.457 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.112 -3.019 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.988 -2.722 -0.277 1.00 0.00 H new ATOM 1267 N THR A 82 13.964 -1.095 0.094 1.00 0.00 N ATOM 1268 CA THR A 82 14.473 -0.341 1.238 1.00 0.00 C ATOM 1269 C THR A 82 13.454 0.714 1.592 1.00 0.00 C ATOM 1270 O THR A 82 13.415 1.737 0.927 1.00 0.00 O ATOM 1271 CB THR A 82 15.868 0.258 0.909 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.729 -0.764 0.379 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.519 0.920 2.155 1.00 0.00 C ATOM 0 H THR A 82 13.913 -0.566 -0.777 1.00 0.00 H new ATOM 0 HA THR A 82 14.616 -0.989 2.103 1.00 0.00 H new ATOM 0 HB THR A 82 15.729 1.037 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.606 -0.378 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.493 1.327 1.884 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.878 1.724 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.643 0.174 2.940 1.00 0.00 H new ATOM 1281 N VAL A 83 12.624 0.487 2.639 1.00 0.00 N ATOM 1282 CA VAL A 83 11.691 1.526 3.058 1.00 0.00 C ATOM 1283 C VAL A 83 12.525 2.585 3.732 1.00 0.00 C ATOM 1284 O VAL A 83 13.494 2.225 4.376 1.00 0.00 O ATOM 1285 CB VAL A 83 10.569 1.000 4.001 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.633 2.134 4.507 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.720 -0.072 3.268 1.00 0.00 C ATOM 0 H VAL A 83 12.590 -0.376 3.182 1.00 0.00 H new ATOM 0 HA VAL A 83 11.157 1.919 2.193 1.00 0.00 H new ATOM 0 HB VAL A 83 11.064 0.566 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.870 1.711 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.218 2.869 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.155 2.618 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.938 -0.435 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.265 0.368 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.360 -0.904 2.973 1.00 0.00 H new ATOM 1297 N GLN A 84 12.168 3.879 3.593 1.00 0.00 N ATOM 1298 CA GLN A 84 12.812 4.945 4.353 1.00 0.00 C ATOM 1299 C GLN A 84 11.691 5.842 4.822 1.00 0.00 C ATOM 1300 O GLN A 84 10.547 5.527 4.540 1.00 0.00 O ATOM 1301 CB GLN A 84 13.850 5.703 3.479 1.00 0.00 C ATOM 1302 CG GLN A 84 14.864 4.733 2.825 1.00 0.00 C ATOM 1303 CD GLN A 84 15.875 5.448 1.958 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.976 6.663 2.022 1.00 0.00 O ATOM 1305 NE2 GLN A 84 16.649 4.712 1.129 1.00 0.00 N ATOM 0 H GLN A 84 11.436 4.200 2.959 1.00 0.00 H new ATOM 0 HA GLN A 84 13.378 4.560 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.331 6.265 2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.384 6.428 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.387 4.179 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.325 4.002 2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.542 3.698 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.340 5.171 0.535 1.00 0.00 H new ATOM 1314 N MET A 85 11.994 6.950 5.527 1.00 0.00 N ATOM 1315 CA MET A 85 10.950 7.853 6.016 1.00 0.00 C ATOM 1316 C MET A 85 11.304 9.259 5.605 1.00 0.00 C ATOM 1317 O MET A 85 12.414 9.485 5.149 1.00 0.00 O ATOM 1318 CB MET A 85 10.790 7.819 7.565 1.00 0.00 C ATOM 1319 CG MET A 85 9.573 6.958 7.988 1.00 0.00 C ATOM 1320 SD MET A 85 9.102 7.295 9.711 1.00 0.00 S ATOM 1321 CE MET A 85 7.822 8.543 9.354 1.00 0.00 C ATOM 0 H MET A 85 12.944 7.233 5.765 1.00 0.00 H new ATOM 0 HA MET A 85 10.006 7.524 5.583 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.697 7.417 8.017 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.668 8.834 7.942 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.730 7.166 7.330 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.814 5.901 7.873 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.388 8.897 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.270 9.382 8.822 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.041 8.098 8.737 1.00 0.00 H new ATOM 1331 N GLU A 86 10.362 10.211 5.801 1.00 0.00 N ATOM 1332 CA GLU A 86 10.707 11.622 5.612 1.00 0.00 C ATOM 1333 C GLU A 86 9.870 12.519 6.503 1.00 0.00 C ATOM 1334 O GLU A 86 9.197 13.413 6.017 1.00 0.00 O ATOM 1335 CB GLU A 86 10.770 12.023 4.109 1.00 0.00 C ATOM 1336 CG GLU A 86 9.413 11.938 3.364 1.00 0.00 C ATOM 1337 CD GLU A 86 9.574 12.202 1.887 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.391 13.089 1.520 1.00 0.00 O ATOM 1339 OE2 GLU A 86 8.881 11.533 1.075 1.00 0.00 O ATOM 0 H GLU A 86 9.397 10.031 6.079 1.00 0.00 H new ATOM 0 HA GLU A 86 11.730 11.778 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.148 13.042 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.489 11.378 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.977 10.950 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.717 12.661 3.790 1.00 0.00 H new ATOM 1346 N GLY A 87 9.932 12.299 7.839 1.00 0.00 N ATOM 1347 CA GLY A 87 9.243 13.185 8.777 1.00 0.00 C ATOM 1348 C GLY A 87 7.849 12.669 9.035 1.00 0.00 C ATOM 1349 O GLY A 87 7.731 11.701 9.769 1.00 0.00 O ATOM 0 H GLY A 87 10.443 11.530 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.799 13.242 9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.198 14.196 8.371 1.00 0.00 H new ATOM 1353 N GLY A 88 6.793 13.278 8.442 1.00 0.00 N ATOM 1354 CA GLY A 88 5.431 12.772 8.619 1.00 0.00 C ATOM 1355 C GLY A 88 4.998 12.078 7.351 1.00 0.00 C ATOM 1356 O GLY A 88 3.865 12.257 6.930 1.00 0.00 O ATOM 0 H GLY A 88 6.866 14.105 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.393 12.079 9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.751 13.592 8.851 1.00 0.00 H new ATOM 1360 N LYS A 89 5.899 11.280 6.734 1.00 0.00 N ATOM 1361 CA LYS A 89 5.590 10.662 5.447 1.00 0.00 C ATOM 1362 C LYS A 89 6.535 9.506 5.224 1.00 0.00 C ATOM 1363 O LYS A 89 7.596 9.506 5.828 1.00 0.00 O ATOM 1364 CB LYS A 89 5.669 11.763 4.354 1.00 0.00 C ATOM 1365 CG LYS A 89 5.624 11.218 2.902 1.00 0.00 C ATOM 1366 CD LYS A 89 5.683 12.361 1.853 1.00 0.00 C ATOM 1367 CE LYS A 89 5.602 11.803 0.406 1.00 0.00 C ATOM 1368 NZ LYS A 89 5.654 12.886 -0.601 1.00 0.00 N ATOM 0 H LYS A 89 6.823 11.059 7.105 1.00 0.00 H new ATOM 0 HA LYS A 89 4.583 10.247 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.843 12.460 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.590 12.329 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.460 10.537 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.711 10.641 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.861 13.057 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.608 12.924 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.425 11.109 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.678 11.237 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.597 12.476 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.854 13.535 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.547 13.410 -0.502 1.00 0.00 H new ATOM 1382 N LEU A 90 6.146 8.512 4.394 1.00 0.00 N ATOM 1383 CA LEU A 90 6.911 7.278 4.274 1.00 0.00 C ATOM 1384 C LEU A 90 7.427 7.120 2.867 1.00 0.00 C ATOM 1385 O LEU A 90 6.783 7.635 1.967 1.00 0.00 O ATOM 1386 CB LEU A 90 5.957 6.120 4.624 1.00 0.00 C ATOM 1387 CG LEU A 90 6.656 4.758 4.852 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.565 4.794 6.110 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.589 3.662 5.043 1.00 0.00 C ATOM 0 H LEU A 90 5.312 8.551 3.808 1.00 0.00 H new ATOM 0 HA LEU A 90 7.771 7.288 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.401 6.384 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.229 6.010 3.820 1.00 0.00 H new ATOM 0 HG LEU A 90 7.275 4.545 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.041 3.823 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.331 5.560 5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.962 5.025 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.079 2.702 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.970 3.903 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.962 3.605 4.153 1.00 0.00 H new ATOM 1401 N VAL A 91 8.569 6.415 2.674 1.00 0.00 N ATOM 1402 CA VAL A 91 9.162 6.284 1.348 1.00 0.00 C ATOM 1403 C VAL A 91 9.540 4.848 1.094 1.00 0.00 C ATOM 1404 O VAL A 91 9.947 4.207 2.045 1.00 0.00 O ATOM 1405 CB VAL A 91 10.437 7.168 1.287 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.071 7.168 -0.132 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.141 8.612 1.778 1.00 0.00 C ATOM 0 H VAL A 91 9.081 5.940 3.417 1.00 0.00 H new ATOM 0 HA VAL A 91 8.444 6.601 0.592 1.00 0.00 H new ATOM 0 HB VAL A 91 11.170 6.731 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.961 7.798 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.347 6.150 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.351 7.556 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.052 9.208 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.375 9.061 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.788 8.581 2.809 1.00 0.00 H new ATOM 1417 N VAL A 92 9.448 4.325 -0.149 1.00 0.00 N ATOM 1418 CA VAL A 92 9.994 3.004 -0.441 1.00 0.00 C ATOM 1419 C VAL A 92 10.320 2.890 -1.910 1.00 0.00 C ATOM 1420 O VAL A 92 9.762 3.635 -2.701 1.00 0.00 O ATOM 1421 CB VAL A 92 9.016 1.889 0.027 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.661 1.996 -0.704 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.573 0.450 -0.166 1.00 0.00 C ATOM 0 H VAL A 92 9.009 4.793 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 92 10.922 2.871 0.116 1.00 0.00 H new ATOM 0 HB VAL A 92 8.886 2.055 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.997 1.204 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.210 2.966 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.818 1.894 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.837 -0.275 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.780 0.278 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.493 0.336 0.407 1.00 0.00 H new ATOM 1433 N ASN A 93 11.229 1.958 -2.270 1.00 0.00 N ATOM 1434 CA ASN A 93 11.597 1.761 -3.665 1.00 0.00 C ATOM 1435 C ASN A 93 11.918 0.295 -3.858 1.00 0.00 C ATOM 1436 O ASN A 93 12.751 -0.209 -3.121 1.00 0.00 O ATOM 1437 CB ASN A 93 12.799 2.660 -4.038 1.00 0.00 C ATOM 1438 CG ASN A 93 13.952 2.454 -3.082 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.876 1.731 -3.420 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.924 3.072 -1.879 1.00 0.00 N ATOM 0 H ASN A 93 11.710 1.343 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 93 10.775 2.043 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 93 13.122 2.437 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.493 3.706 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.692 2.941 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.135 3.669 -1.631 1.00 0.00 H new ATOM 1447 N PHE A 94 11.260 -0.390 -4.823 1.00 0.00 N ATOM 1448 CA PHE A 94 11.457 -1.825 -5.025 1.00 0.00 C ATOM 1449 C PHE A 94 12.178 -1.970 -6.349 1.00 0.00 C ATOM 1450 O PHE A 94 12.091 -1.017 -7.109 1.00 0.00 O ATOM 1451 CB PHE A 94 10.056 -2.492 -5.174 1.00 0.00 C ATOM 1452 CG PHE A 94 9.044 -2.151 -4.067 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.287 -0.974 -4.106 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.852 -3.031 -2.998 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.418 -0.649 -3.061 1.00 0.00 C ATOM 1456 CE2 PHE A 94 8.083 -2.646 -1.900 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.348 -1.464 -1.929 1.00 0.00 C ATOM 0 H PHE A 94 10.593 0.036 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 94 12.009 -2.278 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.632 -2.198 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.188 -3.574 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.376 -0.310 -4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.301 -4.013 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.800 0.234 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.057 -3.271 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.732 -1.181 -1.088 1.00 0.00 H new ATOM 1467 N PRO A 95 12.865 -3.079 -6.727 1.00 0.00 N ATOM 1468 CA PRO A 95 13.403 -3.182 -8.080 1.00 0.00 C ATOM 1469 C PRO A 95 12.287 -3.555 -9.035 1.00 0.00 C ATOM 1470 O PRO A 95 12.358 -4.602 -9.659 1.00 0.00 O ATOM 1471 CB PRO A 95 14.430 -4.319 -7.847 1.00 0.00 C ATOM 1472 CG PRO A 95 13.733 -5.215 -6.797 1.00 0.00 C ATOM 1473 CD PRO A 95 13.117 -4.187 -5.819 1.00 0.00 C ATOM 0 HA PRO A 95 13.839 -2.286 -8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.641 -4.865 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.381 -3.934 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.971 -5.849 -7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.441 -5.875 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.204 -4.555 -5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.802 -3.917 -5.015 1.00 0.00 H new ATOM 1481 N ASN A 96 11.246 -2.698 -9.155 1.00 0.00 N ATOM 1482 CA ASN A 96 10.071 -3.020 -9.968 1.00 0.00 C ATOM 1483 C ASN A 96 9.219 -1.767 -10.084 1.00 0.00 C ATOM 1484 O ASN A 96 9.113 -1.227 -11.173 1.00 0.00 O ATOM 1485 CB ASN A 96 9.239 -4.187 -9.352 1.00 0.00 C ATOM 1486 CG ASN A 96 9.829 -5.548 -9.633 1.00 0.00 C ATOM 1487 OD1 ASN A 96 10.361 -6.166 -8.723 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.753 -6.042 -10.889 1.00 0.00 N ATOM 0 H ASN A 96 11.205 -1.787 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 96 10.400 -3.354 -10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.167 -4.044 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.224 -4.149 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.147 -6.958 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.301 -5.498 -11.624 1.00 0.00 H new ATOM 1495 N TYR A 97 8.638 -1.305 -8.950 1.00 0.00 N ATOM 1496 CA TYR A 97 7.815 -0.098 -8.881 1.00 0.00 C ATOM 1497 C TYR A 97 8.384 0.779 -7.776 1.00 0.00 C ATOM 1498 O TYR A 97 9.414 0.423 -7.226 1.00 0.00 O ATOM 1499 CB TYR A 97 6.334 -0.511 -8.630 1.00 0.00 C ATOM 1500 CG TYR A 97 5.896 -0.741 -7.171 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.299 -1.884 -6.476 1.00 0.00 C ATOM 1502 CD2 TYR A 97 5.043 0.158 -6.517 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.813 -2.139 -5.192 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.420 -0.184 -5.314 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.851 -1.312 -4.609 1.00 0.00 C ATOM 1506 OH TYR A 97 4.347 -1.624 -3.343 1.00 0.00 O ATOM 0 H TYR A 97 8.737 -1.776 -8.051 1.00 0.00 H new ATOM 0 HA TYR A 97 7.830 0.471 -9.811 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.693 0.261 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.142 -1.428 -9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.991 -2.575 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.864 1.131 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.187 -2.989 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.610 0.419 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 97 5.073 -1.596 -2.686 1.00 0.00 H new ATOM 1516 N HIS A 98 7.736 1.915 -7.429 1.00 0.00 N ATOM 1517 CA HIS A 98 8.176 2.768 -6.318 1.00 0.00 C ATOM 1518 C HIS A 98 6.938 3.262 -5.616 1.00 0.00 C ATOM 1519 O HIS A 98 5.905 3.313 -6.264 1.00 0.00 O ATOM 1520 CB HIS A 98 9.000 3.978 -6.835 1.00 0.00 C ATOM 1521 CG HIS A 98 9.002 5.198 -5.932 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.967 5.965 -5.656 1.00 0.00 N ATOM 1523 CD2 HIS A 98 10.082 5.685 -5.293 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.329 6.941 -4.885 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.547 6.837 -4.625 1.00 0.00 N ATOM 0 H HIS A 98 6.904 2.257 -7.909 1.00 0.00 H new ATOM 0 HA HIS A 98 8.815 2.199 -5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.031 3.656 -6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.612 4.270 -7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.093 5.306 -5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.679 7.724 -4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.079 7.473 -4.030 1.00 0.00 H new ATOM 1533 N GLN A 99 7.003 3.643 -4.319 1.00 0.00 N ATOM 1534 CA GLN A 99 5.793 4.106 -3.640 1.00 0.00 C ATOM 1535 C GLN A 99 6.165 4.982 -2.469 1.00 0.00 C ATOM 1536 O GLN A 99 7.283 4.874 -1.993 1.00 0.00 O ATOM 1537 CB GLN A 99 4.962 2.852 -3.256 1.00 0.00 C ATOM 1538 CG GLN A 99 3.566 3.098 -2.619 1.00 0.00 C ATOM 1539 CD GLN A 99 3.630 3.533 -1.176 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.151 4.613 -0.874 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.196 2.721 -0.256 1.00 0.00 N ATOM 0 H GLN A 99 7.849 3.637 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 99 5.174 4.731 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.823 2.250 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.551 2.255 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.041 3.859 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.978 2.183 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.588 1.823 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.231 3.006 0.723 1.00 0.00 H new ATOM 1550 N THR A 100 5.244 5.864 -2.019 1.00 0.00 N ATOM 1551 CA THR A 100 5.539 6.785 -0.923 1.00 0.00 C ATOM 1552 C THR A 100 4.243 6.946 -0.162 1.00 0.00 C ATOM 1553 O THR A 100 3.372 7.638 -0.667 1.00 0.00 O ATOM 1554 CB THR A 100 6.024 8.156 -1.480 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.335 8.485 -2.691 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.556 8.227 -1.721 1.00 0.00 C ATOM 0 H THR A 100 4.302 5.949 -2.400 1.00 0.00 H new ATOM 0 HA THR A 100 6.334 6.406 -0.281 1.00 0.00 H new ATOM 0 HB THR A 100 5.790 8.885 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.653 9.350 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.818 9.211 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.081 8.056 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.847 7.464 -2.443 1.00 0.00 H new ATOM 1564 N SER A 101 4.077 6.303 1.021 1.00 0.00 N ATOM 1565 CA SER A 101 2.806 6.421 1.734 1.00 0.00 C ATOM 1566 C SER A 101 2.829 7.725 2.485 1.00 0.00 C ATOM 1567 O SER A 101 3.905 8.284 2.623 1.00 0.00 O ATOM 1568 CB SER A 101 2.482 5.214 2.651 1.00 0.00 C ATOM 1569 OG SER A 101 2.598 3.972 1.940 1.00 0.00 O ATOM 0 H SER A 101 4.782 5.723 1.476 1.00 0.00 H new ATOM 0 HA SER A 101 1.993 6.412 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.160 5.211 3.505 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.471 5.316 3.046 1.00 0.00 H new ATOM 0 HG SER A 101 1.760 3.787 1.467 1.00 0.00 H new ATOM 1575 N GLU A 102 1.668 8.239 2.949 1.00 0.00 N ATOM 1576 CA GLU A 102 1.635 9.601 3.476 1.00 0.00 C ATOM 1577 C GLU A 102 0.430 9.776 4.376 1.00 0.00 C ATOM 1578 O GLU A 102 -0.675 9.735 3.859 1.00 0.00 O ATOM 1579 CB GLU A 102 1.576 10.542 2.243 1.00 0.00 C ATOM 1580 CG GLU A 102 1.482 12.034 2.651 1.00 0.00 C ATOM 1581 CD GLU A 102 1.361 12.885 1.413 1.00 0.00 C ATOM 1582 OE1 GLU A 102 2.418 13.223 0.814 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.208 13.218 1.026 1.00 0.00 O ATOM 0 H GLU A 102 0.776 7.744 2.966 1.00 0.00 H new ATOM 0 HA GLU A 102 2.512 9.829 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.464 10.390 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.715 10.280 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.620 12.191 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.366 12.323 3.220 1.00 0.00 H new ATOM 1590 N ILE A 103 0.608 9.974 5.705 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.539 10.231 6.581 1.00 0.00 C ATOM 1592 C ILE A 103 -0.907 11.690 6.470 1.00 0.00 C ATOM 1593 O ILE A 103 -0.021 12.495 6.230 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.262 9.790 8.052 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.328 8.243 8.174 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.162 10.488 9.110 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.746 7.651 8.381 1.00 0.00 C ATOM 0 H ILE A 103 1.513 9.960 6.175 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.388 9.628 6.259 1.00 0.00 H new ATOM 0 HB ILE A 103 0.749 10.125 8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.101 7.806 7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.301 7.934 9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.904 10.124 10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.006 11.566 9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.208 10.264 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.680 6.565 8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.177 8.051 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.380 7.920 7.536 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.209 12.032 6.631 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.660 13.415 6.483 1.00 0.00 C ATOM 1611 C VAL A 104 -3.639 13.686 7.609 1.00 0.00 C ATOM 1612 O VAL A 104 -4.838 13.702 7.382 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.261 13.611 5.058 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.698 15.085 4.826 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.250 13.186 3.956 1.00 0.00 C ATOM 0 H VAL A 104 -2.949 11.369 6.861 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.847 14.137 6.562 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.141 12.971 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.113 15.188 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.454 15.360 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.834 15.741 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.699 13.335 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.347 13.791 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.994 12.134 4.083 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.130 13.899 8.846 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.007 14.205 9.974 1.00 0.00 C ATOM 1627 C GLY A 105 -4.727 12.955 10.421 1.00 0.00 C ATOM 1628 O GLY A 105 -4.244 12.291 11.325 1.00 0.00 O ATOM 0 H GLY A 105 -2.136 13.863 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.423 14.613 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.730 14.968 9.687 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.877 12.626 9.788 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.647 11.442 10.173 1.00 0.00 C ATOM 1634 C ASP A 106 -7.082 10.759 8.899 1.00 0.00 C ATOM 1635 O ASP A 106 -8.267 10.590 8.657 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.839 11.871 11.063 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.309 12.505 12.323 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.065 11.758 13.310 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.128 13.753 12.336 1.00 0.00 O ATOM 0 H ASP A 106 -6.280 13.162 9.019 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.057 10.740 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.475 12.575 10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.456 11.006 11.308 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.087 10.385 8.063 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.383 9.857 6.733 1.00 0.00 C ATOM 1646 C LYS A 107 -5.093 9.293 6.180 1.00 0.00 C ATOM 1647 O LYS A 107 -4.080 9.948 6.365 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.839 11.051 5.850 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.277 10.638 4.418 1.00 0.00 C ATOM 1650 CD LYS A 107 -7.233 11.828 3.418 1.00 0.00 C ATOM 1651 CE LYS A 107 -8.080 13.065 3.832 1.00 0.00 C ATOM 1652 NZ LYS A 107 -9.520 12.764 4.004 1.00 0.00 N ATOM 0 H LYS A 107 -5.094 10.441 8.289 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.156 9.089 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.669 11.559 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.023 11.770 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.627 9.840 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.289 10.234 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.196 12.141 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.579 11.479 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.687 13.468 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.967 13.842 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.025 13.630 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.909 12.406 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.638 12.044 4.745 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.095 8.117 5.516 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.869 7.584 4.923 1.00 0.00 C ATOM 1668 C LEU A 108 -3.991 7.817 3.439 1.00 0.00 C ATOM 1669 O LEU A 108 -5.054 7.530 2.914 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.707 6.076 5.264 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.613 5.348 4.427 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.192 5.673 4.962 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.848 3.812 4.439 1.00 0.00 C ATOM 0 H LEU A 108 -5.921 7.534 5.383 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.979 8.076 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.465 5.978 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.662 5.575 5.108 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.684 5.708 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.448 5.152 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.018 6.747 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.111 5.348 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.074 3.321 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.809 3.446 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.826 3.590 4.011 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.934 8.319 2.753 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.987 8.470 1.299 1.00 0.00 C ATOM 1687 C VAL A 109 -1.669 7.972 0.764 1.00 0.00 C ATOM 1688 O VAL A 109 -0.732 7.890 1.542 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.311 9.930 0.854 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.298 10.604 1.841 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.051 10.818 0.689 1.00 0.00 C ATOM 0 H VAL A 109 -2.058 8.617 3.182 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.808 7.884 0.886 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.774 9.843 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.508 11.621 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.227 10.034 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.855 10.632 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.350 11.819 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.520 10.876 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.396 10.384 -0.067 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.579 7.630 -0.540 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.347 7.041 -1.062 1.00 0.00 C ATOM 1703 C GLU A 110 -0.172 7.421 -2.511 1.00 0.00 C ATOM 1704 O GLU A 110 -1.102 7.981 -3.068 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.370 5.490 -0.931 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.872 4.985 0.450 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.757 3.486 0.583 1.00 0.00 C ATOM 1708 OE1 GLU A 110 0.308 2.930 0.199 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.724 2.848 1.081 1.00 0.00 O ATOM 0 H GLU A 110 -2.325 7.750 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 110 0.488 7.426 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.009 5.078 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.635 5.105 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.296 5.464 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.912 5.282 0.588 1.00 0.00 H new ATOM 1716 N VAL A 111 0.998 7.121 -3.125 1.00 0.00 N ATOM 1717 CA VAL A 111 1.187 7.400 -4.549 1.00 0.00 C ATOM 1718 C VAL A 111 2.181 6.388 -5.100 1.00 0.00 C ATOM 1719 O VAL A 111 3.339 6.447 -4.722 1.00 0.00 O ATOM 1720 CB VAL A 111 1.537 8.902 -4.764 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.805 9.357 -4.005 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.695 9.209 -6.274 1.00 0.00 C ATOM 0 H VAL A 111 1.801 6.696 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 111 0.272 7.267 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 111 0.702 9.467 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.987 10.414 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.662 9.206 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.661 8.772 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.940 10.263 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.495 8.596 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.762 8.985 -6.790 1.00 0.00 H new ATOM 1732 N SER A 112 1.750 5.436 -5.967 1.00 0.00 N ATOM 1733 CA SER A 112 2.654 4.396 -6.478 1.00 0.00 C ATOM 1734 C SER A 112 3.474 4.967 -7.606 1.00 0.00 C ATOM 1735 O SER A 112 3.250 6.115 -7.943 1.00 0.00 O ATOM 1736 CB SER A 112 1.829 3.215 -7.061 1.00 0.00 C ATOM 1737 OG SER A 112 1.319 3.527 -8.363 1.00 0.00 O ATOM 0 H SER A 112 0.794 5.374 -6.318 1.00 0.00 H new ATOM 0 HA SER A 112 3.288 4.052 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.455 2.325 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.002 2.981 -6.391 1.00 0.00 H new ATOM 0 HG SER A 112 1.422 2.749 -8.950 1.00 0.00 H new ATOM 1743 N THR A 113 4.373 4.176 -8.236 1.00 0.00 N ATOM 1744 CA THR A 113 5.051 4.641 -9.444 1.00 0.00 C ATOM 1745 C THR A 113 5.714 3.499 -10.169 1.00 0.00 C ATOM 1746 O THR A 113 6.143 2.584 -9.491 1.00 0.00 O ATOM 1747 CB THR A 113 6.093 5.729 -9.076 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.428 6.986 -8.858 1.00 0.00 O ATOM 1749 CG2 THR A 113 7.220 5.891 -10.123 1.00 0.00 C ATOM 0 H THR A 113 4.634 3.239 -7.930 1.00 0.00 H new ATOM 0 HA THR A 113 4.306 5.072 -10.114 1.00 0.00 H new ATOM 0 HB THR A 113 6.580 5.396 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.458 6.849 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.910 6.669 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.758 4.949 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.787 6.169 -11.084 1.00 0.00 H new ATOM 1757 N ILE A 114 5.826 3.529 -11.520 1.00 0.00 N ATOM 1758 CA ILE A 114 6.479 2.429 -12.227 1.00 0.00 C ATOM 1759 C ILE A 114 7.008 2.896 -13.565 1.00 0.00 C ATOM 1760 O ILE A 114 6.545 2.494 -14.620 1.00 0.00 O ATOM 1761 CB ILE A 114 5.538 1.196 -12.285 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.308 -0.052 -12.787 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.230 1.480 -13.067 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.489 -1.350 -12.624 1.00 0.00 C ATOM 0 H ILE A 114 5.481 4.282 -12.115 1.00 0.00 H new ATOM 0 HA ILE A 114 7.360 2.095 -11.678 1.00 0.00 H new ATOM 0 HB ILE A 114 5.206 0.975 -11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.567 0.082 -13.837 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.244 -0.144 -12.237 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.610 0.584 -13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.687 2.293 -12.585 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.473 1.764 -14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.071 -2.196 -12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.252 -1.501 -11.571 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.565 -1.271 -13.196 1.00 0.00 H new ATOM 1776 N GLY A 115 8.026 3.778 -13.511 1.00 0.00 N ATOM 1777 CA GLY A 115 8.659 4.267 -14.732 1.00 0.00 C ATOM 1778 C GLY A 115 7.682 4.890 -15.700 1.00 0.00 C ATOM 1779 O GLY A 115 7.953 4.845 -16.891 1.00 0.00 O ATOM 0 H GLY A 115 8.415 4.155 -12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.420 5.002 -14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.171 3.440 -15.224 1.00 0.00 H new ATOM 1783 N GLY A 116 6.561 5.488 -15.233 1.00 0.00 N ATOM 1784 CA GLY A 116 5.648 6.146 -16.165 1.00 0.00 C ATOM 1785 C GLY A 116 4.265 6.287 -15.580 1.00 0.00 C ATOM 1786 O GLY A 116 3.738 7.389 -15.558 1.00 0.00 O ATOM 0 H GLY A 116 6.283 5.523 -14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.037 7.131 -16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.596 5.572 -17.090 1.00 0.00 H new ATOM 1790 N VAL A 117 3.667 5.164 -15.116 1.00 0.00 N ATOM 1791 CA VAL A 117 2.309 5.210 -14.572 1.00 0.00 C ATOM 1792 C VAL A 117 2.418 5.485 -13.090 1.00 0.00 C ATOM 1793 O VAL A 117 3.456 5.196 -12.519 1.00 0.00 O ATOM 1794 CB VAL A 117 1.534 3.900 -14.910 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.116 3.845 -14.281 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.411 3.749 -16.453 1.00 0.00 C ATOM 0 H VAL A 117 4.100 4.240 -15.111 1.00 0.00 H new ATOM 0 HA VAL A 117 1.725 6.010 -15.027 1.00 0.00 H new ATOM 0 HB VAL A 117 2.109 3.079 -14.481 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.368 2.908 -14.556 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.197 3.907 -13.196 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.478 4.681 -14.649 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.869 2.833 -16.687 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.871 4.604 -16.860 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.406 3.704 -16.895 1.00 0.00 H new ATOM 1806 N THR A 118 1.358 6.055 -12.469 1.00 0.00 N ATOM 1807 CA THR A 118 1.388 6.388 -11.045 1.00 0.00 C ATOM 1808 C THR A 118 -0.009 6.160 -10.522 1.00 0.00 C ATOM 1809 O THR A 118 -0.914 6.431 -11.291 1.00 0.00 O ATOM 1810 CB THR A 118 1.780 7.878 -10.842 1.00 0.00 C ATOM 1811 OG1 THR A 118 3.188 8.066 -11.064 1.00 0.00 O ATOM 1812 CG2 THR A 118 1.355 8.411 -9.450 1.00 0.00 C ATOM 0 H THR A 118 0.482 6.288 -12.937 1.00 0.00 H new ATOM 0 HA THR A 118 2.121 5.775 -10.521 1.00 0.00 H new ATOM 0 HB THR A 118 1.233 8.462 -11.582 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.417 9.010 -10.933 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.650 9.456 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.273 8.328 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.842 7.824 -8.671 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.208 5.694 -9.266 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.556 5.386 -8.780 1.00 0.00 C ATOM 1822 C TYR A 119 -1.752 6.000 -7.405 1.00 0.00 C ATOM 1823 O TYR A 119 -1.204 5.469 -6.452 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.817 3.851 -8.873 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.663 3.262 -7.740 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -3.824 3.920 -7.324 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.311 2.054 -7.125 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -4.650 3.346 -6.358 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.154 1.468 -6.176 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.345 2.103 -5.804 1.00 0.00 C ATOM 1831 OH TYR A 119 -5.227 1.518 -4.892 1.00 0.00 O ATOM 0 H TYR A 119 0.537 5.529 -8.590 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.321 5.839 -9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.311 3.640 -9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.856 3.336 -8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.082 4.877 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.381 1.571 -7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.537 3.871 -6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -2.886 0.522 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 119 -4.892 1.652 -3.981 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.535 7.108 -7.294 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.790 7.752 -6.002 1.00 0.00 C ATOM 1843 C GLU A 120 -3.996 7.157 -5.321 1.00 0.00 C ATOM 1844 O GLU A 120 -4.791 6.530 -6.002 1.00 0.00 O ATOM 1845 CB GLU A 120 -3.065 9.273 -6.147 1.00 0.00 C ATOM 1846 CG GLU A 120 -1.908 10.056 -6.819 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.320 11.459 -7.190 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.180 12.046 -6.479 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -1.783 11.989 -8.200 1.00 0.00 O ATOM 0 H GLU A 120 -2.992 7.561 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.887 7.588 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.974 9.414 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.252 9.695 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.055 10.095 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.581 9.525 -7.713 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.167 7.362 -3.990 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.361 6.827 -3.333 1.00 0.00 C ATOM 1858 C ARG A 121 -5.591 7.560 -2.039 1.00 0.00 C ATOM 1859 O ARG A 121 -4.743 8.361 -1.684 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.210 5.300 -3.096 1.00 0.00 C ATOM 1861 CG ARG A 121 -4.235 4.989 -1.929 1.00 0.00 C ATOM 1862 CD ARG A 121 -3.607 3.577 -2.075 1.00 0.00 C ATOM 1863 NE ARG A 121 -2.631 3.536 -3.168 1.00 0.00 N ATOM 1864 CZ ARG A 121 -1.884 2.487 -3.439 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -1.965 1.360 -2.770 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -1.019 2.571 -4.423 1.00 0.00 N ATOM 0 H ARG A 121 -3.521 7.870 -3.385 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.228 6.976 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.187 4.868 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.848 4.825 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.445 5.739 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.768 5.055 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.121 3.295 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.393 2.845 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.525 4.366 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.629 1.270 -2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.363 0.575 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.937 3.436 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.429 1.772 -4.653 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.718 7.304 -1.343 1.00 0.00 N ATOM 1881 CA VAL A 122 -7.047 8.069 -0.145 1.00 0.00 C ATOM 1882 C VAL A 122 -7.745 7.114 0.797 1.00 0.00 C ATOM 1883 O VAL A 122 -8.965 7.100 0.836 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.923 9.306 -0.525 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -7.060 10.541 -0.907 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -8.881 8.994 -1.708 1.00 0.00 C ATOM 0 H VAL A 122 -7.398 6.585 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.162 8.474 0.345 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.506 9.537 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.713 11.376 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -6.429 10.819 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.432 10.295 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.472 9.880 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -8.297 8.707 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.546 8.176 -1.431 1.00 0.00 H new ATOM 1896 N SER A 123 -6.983 6.292 1.558 1.00 0.00 N ATOM 1897 CA SER A 123 -7.626 5.366 2.481 1.00 0.00 C ATOM 1898 C SER A 123 -8.045 6.162 3.701 1.00 0.00 C ATOM 1899 O SER A 123 -7.165 6.564 4.443 1.00 0.00 O ATOM 1900 CB SER A 123 -6.705 4.172 2.841 1.00 0.00 C ATOM 1901 OG SER A 123 -6.400 3.362 1.693 1.00 0.00 O ATOM 0 H SER A 123 -5.964 6.260 1.545 1.00 0.00 H new ATOM 0 HA SER A 123 -8.502 4.915 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.779 4.547 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.188 3.557 3.600 1.00 0.00 H new ATOM 0 HG SER A 123 -5.816 2.622 1.961 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.356 6.423 3.933 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.764 7.257 5.073 1.00 0.00 C ATOM 1909 C LYS A 124 -9.556 6.509 6.362 1.00 0.00 C ATOM 1910 O LYS A 124 -9.280 5.328 6.280 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.240 7.753 4.983 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.358 9.097 4.224 1.00 0.00 C ATOM 1913 CD LYS A 124 -10.955 9.022 2.731 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.988 8.191 1.926 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.690 8.220 0.479 1.00 0.00 N ATOM 0 H LYS A 124 -10.124 6.075 3.359 1.00 0.00 H new ATOM 0 HA LYS A 124 -9.133 8.145 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.845 6.999 4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.645 7.868 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.387 9.451 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.732 9.838 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.887 10.028 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -9.967 8.572 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.983 7.160 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.990 8.584 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.453 7.742 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.618 9.207 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -10.789 7.731 0.300 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.680 7.183 7.532 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.307 6.588 8.817 1.00 0.00 C ATOM 1931 C ARG A 125 -10.571 6.219 9.562 1.00 0.00 C ATOM 1932 O ARG A 125 -11.034 6.976 10.400 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.406 7.546 9.645 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.774 6.821 10.868 1.00 0.00 C ATOM 1935 CD ARG A 125 -6.950 7.797 11.751 1.00 0.00 C ATOM 1936 NE ARG A 125 -6.226 7.079 12.807 1.00 0.00 N ATOM 1937 CZ ARG A 125 -6.775 6.632 13.919 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -8.050 6.772 14.206 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -6.011 6.013 14.792 1.00 0.00 N ATOM 0 H ARG A 125 -10.036 8.136 7.601 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.717 5.688 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.616 7.944 9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.996 8.395 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.562 6.365 11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.130 6.013 10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.242 8.344 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.615 8.534 12.200 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.229 6.914 12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.671 7.248 13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.419 6.405 15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.017 5.888 14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.413 5.658 15.660 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.136 5.037 9.238 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.414 4.601 9.788 1.00 0.00 C ATOM 1955 C LEU A 126 -12.513 3.113 9.533 1.00 0.00 C ATOM 1956 O LEU A 126 -11.460 2.515 9.377 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.563 5.473 9.201 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.954 5.185 7.718 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.870 6.330 7.214 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.721 5.060 6.793 1.00 0.00 C ATOM 0 H LEU A 126 -10.714 4.370 8.592 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.500 4.746 10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.448 5.337 9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.274 6.521 9.282 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.474 4.227 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -15.151 6.142 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.767 6.376 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.336 7.278 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -13.050 4.860 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.154 5.990 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.089 4.242 7.138 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.711 2.497 9.476 1.00 0.00 N ATOM 1973 CA ALA A 127 -13.792 1.058 9.221 1.00 0.00 C ATOM 1974 C ALA A 127 -13.010 0.309 10.269 1.00 0.00 C ATOM 1975 O ALA A 127 -13.564 -0.400 11.093 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.252 0.704 7.811 1.00 0.00 C ATOM 0 H ALA A 127 -14.609 2.964 9.600 1.00 0.00 H new ATOM 0 HA ALA A 127 -14.841 0.765 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.326 -0.372 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -13.841 1.223 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.209 1.011 7.733 1.00 0.00 H new TER 1982 ALA A 127