USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1058 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 66 HIS :FLIP no HD1:sc= -0.0416 F(o=-2.8,f=-1.8) USER MOD Set 1.2: B 108 ASN : amide:sc= 0.543 K(o=-1.8,f=-10!) USER MOD Set 1.3: B 109 GLN : amide:sc= -2.3! C(o=-1.8!,f=-11!) USER MOD Set 1.4: B 112 GLN :FLIP amide:sc= 0 F(o=-2.7,f=-1.8) USER MOD Set 2.1: B 103 MET CE :methyl 160:sc= -0.117 (180deg=-0.558) USER MOD Set 2.2: B 104 SER OG : rot 87:sc= 0.0653 USER MOD Set 2.3: B 106 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 73 TYR OH : rot 15:sc= 0.734 USER MOD Set 3.2: A 77 LYS NZ :NH3+ 147:sc= 1.96 (180deg=0.135) USER MOD Set 4.1: A 59 ASN :FLIP amide:sc= 0.528 F(o=-1.8!,f=1.3) USER MOD Set 4.2: A 60 SER OG : rot 77:sc= 0.727 USER MOD Set 5.1: A 20 HIS : no HD1:sc= -0.0238 K(o=0.99,f=-1.3) USER MOD Set 5.2: A 24 GLN : amide:sc= 1.01 K(o=0.99,f=-1.7!) USER MOD Set 5.3: B 128 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 2.43 (180deg=2.23) USER MOD Single : A 7 HIS : no HE2:sc= -0.8 K(o=-0.8,f=-4.5!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0747 F(o=-2,f=-0.075) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -8.38! C(o=-8.4!,f=-21!) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.11) USER MOD Single : A 29 THR OG1 : rot -90:sc= 0.796 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -135:sc= -2.69! (180deg=-6.33!) USER MOD Single : A 42 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.21) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.731) USER MOD Single : A 54 MET CE :methyl 155:sc= -1.16 (180deg=-2.06!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0652 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 40:sc= 1.02 USER MOD Single : A 65 TYR OH : rot 56:sc= -1.27! USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 0.39 (180deg=0.331) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= -0.818 (180deg=-2.83!) USER MOD Single : A 76 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.4!) USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.864! (180deg=-3.43!) USER MOD Single : A 85 SER OG : rot -12:sc= 0.565 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 105 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.7!) USER MOD Single : B 110 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : B 116 THR OG1 : rot 180:sc= -0.228 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 SER OG : rot -104:sc= 0.764 USER MOD Single : B 121 SER OG : rot 180:sc= 0 USER MOD Single : B 122 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Single : B 123 SER OG : rot 15:sc= 0.901 USER MOD Single : B 132 SER OG : rot 180:sc= 0.0202 USER MOD Single : B 136 SER OG : rot 27:sc= 0.00245 USER MOD Single : B 139 CYS SG : rot -106:sc= 0.801 USER MOD Single : B 141 MET CE :methyl -159:sc= -1.63 (180deg=-2.88) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.118 -6.300 -15.402 1.00 0.00 N ATOM 2 CA GLY A 1 17.059 -6.408 -14.291 1.00 0.00 C ATOM 3 C GLY A 1 17.799 -5.136 -14.078 1.00 0.00 C ATOM 4 O GLY A 1 18.757 -4.853 -14.783 1.00 0.00 O ATOM 0 H1 GLY A 1 15.619 -7.204 -15.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.428 -5.548 -15.201 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.636 -6.071 -16.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.521 -6.674 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.767 -7.213 -14.489 1.00 0.00 H new ATOM 10 N VAL A 2 17.342 -4.346 -13.144 1.00 0.00 N ATOM 11 CA VAL A 2 18.003 -3.106 -12.816 1.00 0.00 C ATOM 12 C VAL A 2 18.987 -3.313 -11.672 1.00 0.00 C ATOM 13 O VAL A 2 18.756 -4.142 -10.781 1.00 0.00 O ATOM 14 CB VAL A 2 16.998 -1.971 -12.454 1.00 0.00 C ATOM 15 CG1 VAL A 2 16.150 -1.603 -13.659 1.00 0.00 C ATOM 16 CG2 VAL A 2 16.100 -2.371 -11.282 1.00 0.00 C ATOM 0 H VAL A 2 16.507 -4.539 -12.591 1.00 0.00 H new ATOM 0 HA VAL A 2 18.543 -2.791 -13.709 1.00 0.00 H new ATOM 0 HB VAL A 2 17.581 -1.101 -12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.455 -0.809 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.796 -1.258 -14.467 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.590 -2.477 -13.991 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.412 -1.556 -11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.532 -3.263 -11.547 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.715 -2.579 -10.407 1.00 0.00 H new ATOM 26 N ARG A 3 20.062 -2.575 -11.687 1.00 0.00 N ATOM 27 CA ARG A 3 21.061 -2.679 -10.653 1.00 0.00 C ATOM 28 C ARG A 3 21.033 -1.441 -9.796 1.00 0.00 C ATOM 29 O ARG A 3 21.075 -0.320 -10.303 1.00 0.00 O ATOM 30 CB ARG A 3 22.494 -2.974 -11.181 1.00 0.00 C ATOM 31 CG ARG A 3 23.168 -1.903 -12.063 1.00 0.00 C ATOM 32 CD ARG A 3 22.610 -1.878 -13.472 1.00 0.00 C ATOM 33 NE ARG A 3 22.768 -3.162 -14.136 1.00 0.00 N ATOM 34 CZ ARG A 3 21.907 -3.666 -15.017 1.00 0.00 C ATOM 35 NH1 ARG A 3 20.860 -2.945 -15.426 1.00 0.00 N ATOM 36 NH2 ARG A 3 22.109 -4.877 -15.506 1.00 0.00 N ATOM 0 H ARG A 3 20.272 -1.887 -12.411 1.00 0.00 H new ATOM 0 HA ARG A 3 20.802 -3.550 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 3 23.138 -3.153 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.457 -3.903 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.034 -0.923 -11.605 1.00 0.00 H new ATOM 0 HG3 ARG A 3 24.241 -2.092 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.553 -1.612 -13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.116 -1.105 -14.050 1.00 0.00 H new ATOM 0 HE ARG A 3 23.595 -3.714 -13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 3 20.717 -2.003 -15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 3 20.204 -3.337 -16.101 1.00 0.00 H new ATOM 0 HH21 ARG A 3 22.920 -5.419 -15.208 1.00 0.00 H new ATOM 0 HH22 ARG A 3 21.454 -5.270 -16.182 1.00 0.00 H new ATOM 50 N LYS A 4 20.897 -1.645 -8.522 1.00 0.00 N ATOM 51 CA LYS A 4 20.800 -0.579 -7.558 1.00 0.00 C ATOM 52 C LYS A 4 21.093 -1.090 -6.171 1.00 0.00 C ATOM 53 O LYS A 4 20.253 -1.711 -5.534 1.00 0.00 O ATOM 54 CB LYS A 4 19.442 0.136 -7.665 1.00 0.00 C ATOM 55 CG LYS A 4 18.224 -0.780 -7.875 1.00 0.00 C ATOM 56 CD LYS A 4 16.959 0.023 -8.196 1.00 0.00 C ATOM 57 CE LYS A 4 17.146 0.886 -9.446 1.00 0.00 C ATOM 58 NZ LYS A 4 15.963 1.697 -9.760 1.00 0.00 N ATOM 0 H LYS A 4 20.849 -2.576 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 4 21.559 0.172 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.285 0.717 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.489 0.844 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.429 -1.477 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.058 -1.377 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.122 -0.659 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.705 0.659 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.004 1.543 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.375 0.242 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.243 2.506 -10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.271 1.116 -10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.536 2.044 -8.878 1.00 0.00 H new ATOM 72 N GLY A 5 22.298 -0.798 -5.714 1.00 0.00 N ATOM 73 CA GLY A 5 22.846 -1.330 -4.469 1.00 0.00 C ATOM 74 C GLY A 5 22.119 -0.934 -3.197 1.00 0.00 C ATOM 75 O GLY A 5 22.470 -1.415 -2.116 1.00 0.00 O ATOM 0 H GLY A 5 22.939 -0.173 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.854 -2.418 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.884 -1.008 -4.386 1.00 0.00 H new ATOM 79 N TRP A 6 21.100 -0.104 -3.298 1.00 0.00 N ATOM 80 CA TRP A 6 20.345 0.292 -2.123 1.00 0.00 C ATOM 81 C TRP A 6 19.444 -0.844 -1.640 1.00 0.00 C ATOM 82 O TRP A 6 18.833 -0.750 -0.578 1.00 0.00 O ATOM 83 CB TRP A 6 19.546 1.592 -2.343 1.00 0.00 C ATOM 84 CG TRP A 6 18.558 1.555 -3.466 1.00 0.00 C ATOM 85 CD1 TRP A 6 18.775 1.957 -4.736 1.00 0.00 C ATOM 86 CD2 TRP A 6 17.192 1.114 -3.412 1.00 0.00 C ATOM 87 NE1 TRP A 6 17.637 1.803 -5.476 1.00 0.00 N ATOM 88 CE2 TRP A 6 16.657 1.279 -4.691 1.00 0.00 C ATOM 89 CE3 TRP A 6 16.379 0.593 -2.413 1.00 0.00 C ATOM 90 CZ2 TRP A 6 15.343 0.946 -4.997 1.00 0.00 C ATOM 91 CZ3 TRP A 6 15.074 0.266 -2.719 1.00 0.00 C ATOM 92 CH2 TRP A 6 14.574 0.440 -4.000 1.00 0.00 C ATOM 0 H TRP A 6 20.776 0.307 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 6 21.070 0.505 -1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.015 1.832 -1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 6 20.249 2.404 -2.527 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.711 2.344 -5.112 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.538 2.043 -6.462 1.00 0.00 H new ATOM 0 HE3 TRP A 6 16.762 0.446 -1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 14.948 1.085 -5.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 14.431 -0.132 -1.948 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.550 0.167 -4.209 1.00 0.00 H new ATOM 103 N HIS A 7 19.378 -1.927 -2.429 1.00 0.00 N ATOM 104 CA HIS A 7 18.603 -3.135 -2.071 1.00 0.00 C ATOM 105 C HIS A 7 19.001 -3.720 -0.700 1.00 0.00 C ATOM 106 O HIS A 7 18.205 -4.366 -0.044 1.00 0.00 O ATOM 107 CB HIS A 7 18.676 -4.234 -3.172 1.00 0.00 C ATOM 108 CG HIS A 7 20.063 -4.733 -3.538 1.00 0.00 C ATOM 109 ND1 HIS A 7 20.775 -5.680 -2.830 1.00 0.00 N ATOM 110 CD2 HIS A 7 20.849 -4.403 -4.583 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.933 -5.884 -3.454 1.00 0.00 C ATOM 112 NE2 HIS A 7 22.031 -5.129 -4.532 1.00 0.00 N ATOM 0 H HIS A 7 19.855 -1.995 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 7 17.568 -2.800 -1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.082 -5.087 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.204 -3.845 -4.074 1.00 0.00 H new ATOM 0 HD1 HIS A 7 20.467 -6.144 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.596 -3.681 -5.346 1.00 0.00 H new ATOM 0 HE1 HIS A 7 22.692 -6.576 -3.122 1.00 0.00 H new ATOM 120 N GLU A 8 20.213 -3.466 -0.260 1.00 0.00 N ATOM 121 CA GLU A 8 20.647 -3.973 1.038 1.00 0.00 C ATOM 122 C GLU A 8 20.284 -3.022 2.162 1.00 0.00 C ATOM 123 O GLU A 8 20.568 -3.272 3.327 1.00 0.00 O ATOM 124 CB GLU A 8 22.130 -4.283 1.046 1.00 0.00 C ATOM 125 CG GLU A 8 22.501 -5.383 0.086 1.00 0.00 C ATOM 126 CD GLU A 8 21.710 -6.662 0.322 1.00 0.00 C ATOM 127 OE1 GLU A 8 22.045 -7.422 1.248 1.00 0.00 O ATOM 128 OE2 GLU A 8 20.739 -6.930 -0.418 1.00 0.00 O ATOM 0 H GLU A 8 20.911 -2.921 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 8 20.111 -4.906 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 8 22.687 -3.381 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 8 22.431 -4.569 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 8 22.333 -5.040 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 8 23.566 -5.597 0.179 1.00 0.00 H new ATOM 135 N HIS A 9 19.657 -1.936 1.814 1.00 0.00 N ATOM 136 CA HIS A 9 19.218 -0.977 2.799 1.00 0.00 C ATOM 137 C HIS A 9 17.717 -1.054 2.959 1.00 0.00 C ATOM 138 O HIS A 9 17.097 -0.246 3.654 1.00 0.00 O ATOM 139 CB HIS A 9 19.640 0.443 2.429 1.00 0.00 C ATOM 140 CG HIS A 9 21.114 0.670 2.490 1.00 0.00 C ATOM 141 ND1 HIS A 9 21.765 1.209 3.572 1.00 0.00 N ATOM 142 CD2 HIS A 9 22.070 0.404 1.573 1.00 0.00 C ATOM 143 CE1 HIS A 9 23.065 1.256 3.292 1.00 0.00 C ATOM 144 NE2 HIS A 9 23.308 0.776 2.082 1.00 0.00 N ATOM 0 H HIS A 9 19.435 -1.687 0.850 1.00 0.00 H new ATOM 0 HA HIS A 9 19.695 -1.225 3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.289 0.665 1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.146 1.145 3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.899 -0.029 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.822 1.635 3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.214 0.696 1.620 1.00 0.00 H new ATOM 152 N VAL A 10 17.145 -2.028 2.318 1.00 0.00 N ATOM 153 CA VAL A 10 15.738 -2.253 2.339 1.00 0.00 C ATOM 154 C VAL A 10 15.491 -3.752 2.478 1.00 0.00 C ATOM 155 O VAL A 10 15.820 -4.544 1.601 1.00 0.00 O ATOM 156 CB VAL A 10 15.064 -1.646 1.064 1.00 0.00 C ATOM 157 CG1 VAL A 10 15.651 -2.181 -0.223 1.00 0.00 C ATOM 158 CG2 VAL A 10 13.553 -1.776 1.098 1.00 0.00 C ATOM 0 H VAL A 10 17.660 -2.703 1.753 1.00 0.00 H new ATOM 0 HA VAL A 10 15.282 -1.749 3.191 1.00 0.00 H new ATOM 0 HB VAL A 10 15.292 -0.580 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.143 -1.724 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.714 -1.943 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.519 -3.262 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.130 -1.341 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.280 -2.830 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.162 -1.251 1.970 1.00 0.00 H new ATOM 168 N THR A 11 14.991 -4.135 3.601 1.00 0.00 N ATOM 169 CA THR A 11 14.786 -5.509 3.893 1.00 0.00 C ATOM 170 C THR A 11 13.436 -5.993 3.501 1.00 0.00 C ATOM 171 O THR A 11 12.486 -5.198 3.361 1.00 0.00 O ATOM 172 CB THR A 11 14.983 -5.739 5.358 1.00 0.00 C ATOM 173 OG1 THR A 11 14.562 -4.557 6.066 1.00 0.00 O ATOM 174 CG2 THR A 11 16.412 -6.068 5.629 1.00 0.00 C ATOM 0 H THR A 11 14.711 -3.498 4.347 1.00 0.00 H new ATOM 0 HA THR A 11 15.513 -6.071 3.306 1.00 0.00 H new ATOM 0 HB THR A 11 14.384 -6.583 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.683 -4.692 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.551 -6.235 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.688 -6.970 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.043 -5.240 5.306 1.00 0.00 H new ATOM 182 N GLN A 12 13.350 -7.304 3.367 1.00 0.00 N ATOM 183 CA GLN A 12 12.144 -8.003 3.027 1.00 0.00 C ATOM 184 C GLN A 12 11.026 -7.662 3.989 1.00 0.00 C ATOM 185 O GLN A 12 9.903 -7.479 3.584 1.00 0.00 O ATOM 186 CB GLN A 12 12.415 -9.520 2.984 1.00 0.00 C ATOM 187 CG GLN A 12 11.185 -10.383 2.778 1.00 0.00 C ATOM 188 CD GLN A 12 10.716 -11.128 4.044 1.00 0.00 C ATOM 189 OE1 GLN A 12 10.996 -10.600 5.219 1.00 0.00 O flip ATOM 190 NE2 GLN A 12 10.136 -12.193 3.955 1.00 0.00 N flip ATOM 0 H GLN A 12 14.150 -7.924 3.498 1.00 0.00 H new ATOM 0 HA GLN A 12 11.818 -7.685 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.123 -9.725 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.896 -9.815 3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.371 -9.755 2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.394 -11.114 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.928 -12.585 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.857 -12.694 4.799 1.00 0.00 H new ATOM 199 N ASP A 13 11.357 -7.524 5.240 1.00 0.00 N ATOM 200 CA ASP A 13 10.366 -7.257 6.272 1.00 0.00 C ATOM 201 C ASP A 13 9.745 -5.868 6.107 1.00 0.00 C ATOM 202 O ASP A 13 8.528 -5.703 6.207 1.00 0.00 O ATOM 203 CB ASP A 13 10.999 -7.413 7.645 1.00 0.00 C ATOM 204 CG ASP A 13 10.012 -7.305 8.775 1.00 0.00 C ATOM 205 OD1 ASP A 13 9.186 -8.248 8.947 1.00 0.00 O ATOM 206 OD2 ASP A 13 10.109 -6.354 9.566 1.00 0.00 O ATOM 0 H ASP A 13 12.315 -7.591 5.585 1.00 0.00 H new ATOM 0 HA ASP A 13 9.559 -7.982 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.497 -8.381 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.768 -6.651 7.771 1.00 0.00 H new ATOM 211 N LEU A 14 10.574 -4.902 5.741 1.00 0.00 N ATOM 212 CA LEU A 14 10.138 -3.518 5.597 1.00 0.00 C ATOM 213 C LEU A 14 9.212 -3.430 4.390 1.00 0.00 C ATOM 214 O LEU A 14 8.087 -2.916 4.466 1.00 0.00 O ATOM 215 CB LEU A 14 11.411 -2.604 5.453 1.00 0.00 C ATOM 216 CG LEU A 14 11.258 -1.059 5.275 1.00 0.00 C ATOM 217 CD1 LEU A 14 10.815 -0.693 3.900 1.00 0.00 C ATOM 218 CD2 LEU A 14 10.293 -0.460 6.264 1.00 0.00 C ATOM 0 H LEU A 14 11.562 -5.052 5.536 1.00 0.00 H new ATOM 0 HA LEU A 14 9.582 -3.173 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.027 -2.767 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.977 -2.973 4.598 1.00 0.00 H new ATOM 0 HG LEU A 14 12.252 -0.650 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.723 0.390 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.548 -1.046 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.849 -1.155 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.223 0.615 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.310 -0.913 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.647 -0.648 7.278 1.00 0.00 H new ATOM 230 N ARG A 15 9.668 -3.998 3.309 1.00 0.00 N ATOM 231 CA ARG A 15 8.930 -3.982 2.072 1.00 0.00 C ATOM 232 C ARG A 15 7.669 -4.814 2.133 1.00 0.00 C ATOM 233 O ARG A 15 6.638 -4.404 1.625 1.00 0.00 O ATOM 234 CB ARG A 15 9.813 -4.388 0.925 1.00 0.00 C ATOM 235 CG ARG A 15 10.521 -5.678 1.090 1.00 0.00 C ATOM 236 CD ARG A 15 11.626 -5.786 0.100 1.00 0.00 C ATOM 237 NE ARG A 15 11.129 -5.685 -1.274 1.00 0.00 N ATOM 238 CZ ARG A 15 11.601 -6.362 -2.307 1.00 0.00 C ATOM 239 NH1 ARG A 15 12.657 -7.162 -2.158 1.00 0.00 N ATOM 240 NH2 ARG A 15 11.017 -6.240 -3.491 1.00 0.00 N ATOM 0 H ARG A 15 10.562 -4.486 3.258 1.00 0.00 H new ATOM 0 HA ARG A 15 8.602 -2.956 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.205 -4.440 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.554 -3.605 0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.920 -5.756 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.822 -6.504 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.357 -4.998 0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.142 -6.737 0.232 1.00 0.00 H new ATOM 0 HE ARG A 15 10.357 -5.041 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.103 -7.253 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.019 -7.683 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.209 -5.627 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.376 -6.759 -4.292 1.00 0.00 H new ATOM 254 N SER A 16 7.732 -5.959 2.790 1.00 0.00 N ATOM 255 CA SER A 16 6.580 -6.809 2.939 1.00 0.00 C ATOM 256 C SER A 16 5.536 -6.096 3.780 1.00 0.00 C ATOM 257 O SER A 16 4.340 -6.300 3.597 1.00 0.00 O ATOM 258 CB SER A 16 6.984 -8.147 3.571 1.00 0.00 C ATOM 259 OG SER A 16 5.887 -9.043 3.719 1.00 0.00 O ATOM 0 H SER A 16 8.580 -6.317 3.230 1.00 0.00 H new ATOM 0 HA SER A 16 6.153 -7.022 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.750 -8.617 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.430 -7.962 4.548 1.00 0.00 H new ATOM 0 HG SER A 16 6.200 -9.879 4.124 1.00 0.00 H new ATOM 265 N HIS A 17 5.983 -5.237 4.685 1.00 0.00 N ATOM 266 CA HIS A 17 5.056 -4.475 5.468 1.00 0.00 C ATOM 267 C HIS A 17 4.344 -3.440 4.596 1.00 0.00 C ATOM 268 O HIS A 17 3.135 -3.222 4.729 1.00 0.00 O ATOM 269 CB HIS A 17 5.726 -3.776 6.623 1.00 0.00 C ATOM 270 CG HIS A 17 4.704 -3.271 7.569 1.00 0.00 C ATOM 271 ND1 HIS A 17 3.929 -4.089 8.337 1.00 0.00 N ATOM 272 CD2 HIS A 17 4.264 -2.033 7.787 1.00 0.00 C ATOM 273 CE1 HIS A 17 3.064 -3.356 8.979 1.00 0.00 C ATOM 274 NE2 HIS A 17 3.221 -2.092 8.678 1.00 0.00 N ATOM 0 H HIS A 17 6.968 -5.061 4.884 1.00 0.00 H new ATOM 0 HA HIS A 17 4.331 -5.180 5.874 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.399 -4.464 7.135 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.334 -2.949 6.256 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.012 -5.104 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.661 -1.134 7.339 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.321 -3.738 9.664 1.00 0.00 H new ATOM 282 N LEU A 18 5.097 -2.787 3.734 1.00 0.00 N ATOM 283 CA LEU A 18 4.518 -1.835 2.791 1.00 0.00 C ATOM 284 C LEU A 18 3.510 -2.566 1.875 1.00 0.00 C ATOM 285 O LEU A 18 2.441 -2.043 1.594 1.00 0.00 O ATOM 286 CB LEU A 18 5.628 -1.103 1.988 1.00 0.00 C ATOM 287 CG LEU A 18 6.426 0.080 2.674 1.00 0.00 C ATOM 288 CD1 LEU A 18 6.476 -0.036 4.181 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.836 0.007 2.214 1.00 0.00 C ATOM 0 H LEU A 18 6.109 -2.893 3.662 1.00 0.00 H new ATOM 0 HA LEU A 18 3.976 -1.063 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.356 -1.852 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.170 -0.707 1.081 1.00 0.00 H new ATOM 0 HG LEU A 18 5.918 1.006 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.036 0.804 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.462 -0.026 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.966 -0.969 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.410 0.812 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.264 -0.953 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.871 0.108 1.129 1.00 0.00 H new ATOM 301 N VAL A 19 3.850 -3.807 1.477 1.00 0.00 N ATOM 302 CA VAL A 19 2.940 -4.687 0.698 1.00 0.00 C ATOM 303 C VAL A 19 1.644 -4.927 1.494 1.00 0.00 C ATOM 304 O VAL A 19 0.532 -4.745 0.982 1.00 0.00 O ATOM 305 CB VAL A 19 3.598 -6.082 0.404 1.00 0.00 C ATOM 306 CG1 VAL A 19 2.649 -7.004 -0.313 1.00 0.00 C ATOM 307 CG2 VAL A 19 4.855 -5.947 -0.408 1.00 0.00 C ATOM 0 H VAL A 19 4.755 -4.231 1.682 1.00 0.00 H new ATOM 0 HA VAL A 19 2.730 -4.186 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 19 3.847 -6.510 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.140 -7.959 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.764 -7.165 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.355 -6.557 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.279 -6.935 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.623 -5.471 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.576 -5.337 0.136 1.00 0.00 H new ATOM 317 N HIS A 20 1.826 -5.331 2.737 1.00 0.00 N ATOM 318 CA HIS A 20 0.752 -5.567 3.697 1.00 0.00 C ATOM 319 C HIS A 20 -0.188 -4.349 3.769 1.00 0.00 C ATOM 320 O HIS A 20 -1.424 -4.478 3.684 1.00 0.00 O ATOM 321 CB HIS A 20 1.410 -5.855 5.066 1.00 0.00 C ATOM 322 CG HIS A 20 0.501 -5.902 6.245 1.00 0.00 C ATOM 323 ND1 HIS A 20 0.455 -4.911 7.198 1.00 0.00 N ATOM 324 CD2 HIS A 20 -0.369 -6.851 6.645 1.00 0.00 C ATOM 325 CE1 HIS A 20 -0.411 -5.269 8.129 1.00 0.00 C ATOM 326 NE2 HIS A 20 -0.952 -6.448 7.850 1.00 0.00 N ATOM 0 H HIS A 20 2.753 -5.511 3.123 1.00 0.00 H new ATOM 0 HA HIS A 20 0.141 -6.417 3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.932 -6.810 4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.166 -5.091 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.581 -7.771 6.121 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.648 -4.680 9.002 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.647 -6.954 8.399 1.00 0.00 H new ATOM 334 N LYS A 21 0.399 -3.182 3.890 1.00 0.00 N ATOM 335 CA LYS A 21 -0.360 -1.961 3.938 1.00 0.00 C ATOM 336 C LYS A 21 -1.036 -1.641 2.631 1.00 0.00 C ATOM 337 O LYS A 21 -2.147 -1.158 2.642 1.00 0.00 O ATOM 338 CB LYS A 21 0.464 -0.802 4.459 1.00 0.00 C ATOM 339 CG LYS A 21 0.529 -0.776 5.962 1.00 0.00 C ATOM 340 CD LYS A 21 1.499 0.256 6.471 1.00 0.00 C ATOM 341 CE LYS A 21 1.544 0.290 8.002 1.00 0.00 C ATOM 342 NZ LYS A 21 0.233 0.537 8.643 1.00 0.00 N ATOM 0 H LYS A 21 1.409 -3.055 3.957 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.163 -2.127 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.474 -0.867 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.037 0.134 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.463 -0.569 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.822 -1.760 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.495 0.041 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.215 1.239 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.939 -0.659 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.241 1.066 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.363 0.646 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.186 1.405 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.401 -0.267 8.458 1.00 0.00 H new ATOM 356 N LEU A 22 -0.371 -1.913 1.506 1.00 0.00 N ATOM 357 CA LEU A 22 -0.968 -1.705 0.177 1.00 0.00 C ATOM 358 C LEU A 22 -2.290 -2.449 0.079 1.00 0.00 C ATOM 359 O LEU A 22 -3.284 -1.905 -0.394 1.00 0.00 O ATOM 360 CB LEU A 22 -0.006 -2.146 -0.943 1.00 0.00 C ATOM 361 CG LEU A 22 1.251 -1.288 -1.142 1.00 0.00 C ATOM 362 CD1 LEU A 22 2.218 -1.966 -2.091 1.00 0.00 C ATOM 363 CD2 LEU A 22 0.872 0.044 -1.721 1.00 0.00 C ATOM 0 H LEU A 22 0.581 -2.278 1.485 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.154 -0.639 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.308 -3.170 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.560 -2.163 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 22 1.728 -1.157 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.102 -1.341 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.513 -2.932 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.736 -2.114 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.768 0.649 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.381 -0.104 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.191 0.556 -1.041 1.00 0.00 H new ATOM 375 N VAL A 23 -2.288 -3.670 0.586 1.00 0.00 N ATOM 376 CA VAL A 23 -3.482 -4.494 0.677 1.00 0.00 C ATOM 377 C VAL A 23 -4.542 -3.842 1.568 1.00 0.00 C ATOM 378 O VAL A 23 -5.669 -3.675 1.157 1.00 0.00 O ATOM 379 CB VAL A 23 -3.147 -5.901 1.243 1.00 0.00 C ATOM 380 CG1 VAL A 23 -4.407 -6.639 1.670 1.00 0.00 C ATOM 381 CG2 VAL A 23 -2.421 -6.719 0.202 1.00 0.00 C ATOM 0 H VAL A 23 -1.449 -4.122 0.950 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.876 -4.593 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.510 -5.764 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.139 -7.620 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.919 -6.067 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.067 -6.759 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.191 -7.704 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.052 -6.829 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.495 -6.215 -0.076 1.00 0.00 H new ATOM 391 N GLN A 24 -4.173 -3.456 2.771 1.00 0.00 N ATOM 392 CA GLN A 24 -5.170 -2.929 3.700 1.00 0.00 C ATOM 393 C GLN A 24 -5.627 -1.518 3.344 1.00 0.00 C ATOM 394 O GLN A 24 -6.627 -1.018 3.874 1.00 0.00 O ATOM 395 CB GLN A 24 -4.727 -3.053 5.149 1.00 0.00 C ATOM 396 CG GLN A 24 -4.365 -4.483 5.514 1.00 0.00 C ATOM 397 CD GLN A 24 -4.614 -4.814 6.963 1.00 0.00 C ATOM 398 OE1 GLN A 24 -5.497 -4.239 7.610 1.00 0.00 O ATOM 399 NE2 GLN A 24 -3.878 -5.742 7.484 1.00 0.00 N ATOM 0 H GLN A 24 -3.219 -3.492 3.129 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.052 -3.560 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.867 -2.406 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.525 -2.703 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.941 -5.166 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.313 -4.653 5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.158 -6.197 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.018 -6.019 8.456 1.00 0.00 H new ATOM 408 N ALA A 25 -4.889 -0.871 2.480 1.00 0.00 N ATOM 409 CA ALA A 25 -5.278 0.395 1.965 1.00 0.00 C ATOM 410 C ALA A 25 -6.267 0.234 0.851 1.00 0.00 C ATOM 411 O ALA A 25 -7.261 0.921 0.821 1.00 0.00 O ATOM 412 CB ALA A 25 -4.095 1.071 1.438 1.00 0.00 C ATOM 0 H ALA A 25 -4.000 -1.217 2.119 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.736 0.974 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.380 2.045 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.366 1.205 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.655 0.468 0.644 1.00 0.00 H new ATOM 418 N ILE A 26 -5.975 -0.684 -0.073 1.00 0.00 N ATOM 419 CA ILE A 26 -6.835 -0.906 -1.233 1.00 0.00 C ATOM 420 C ILE A 26 -8.107 -1.612 -0.804 1.00 0.00 C ATOM 421 O ILE A 26 -9.172 -1.442 -1.399 1.00 0.00 O ATOM 422 CB ILE A 26 -6.118 -1.762 -2.350 1.00 0.00 C ATOM 423 CG1 ILE A 26 -6.978 -1.824 -3.600 1.00 0.00 C ATOM 424 CG2 ILE A 26 -5.836 -3.188 -1.882 1.00 0.00 C ATOM 425 CD1 ILE A 26 -6.461 -2.778 -4.646 1.00 0.00 C ATOM 0 H ILE A 26 -5.151 -1.284 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.068 0.071 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.169 -1.271 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.989 -2.119 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.046 -0.826 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.342 -3.742 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.189 -3.162 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.775 -3.679 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.127 -2.768 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.462 -2.472 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.420 -3.785 -4.231 1.00 0.00 H new ATOM 437 N PHE A 27 -7.982 -2.374 0.233 1.00 0.00 N ATOM 438 CA PHE A 27 -9.031 -3.171 0.710 1.00 0.00 C ATOM 439 C PHE A 27 -9.152 -2.991 2.207 1.00 0.00 C ATOM 440 O PHE A 27 -8.400 -3.610 2.978 1.00 0.00 O ATOM 441 CB PHE A 27 -8.715 -4.620 0.381 1.00 0.00 C ATOM 442 CG PHE A 27 -9.760 -5.623 0.737 1.00 0.00 C ATOM 443 CD1 PHE A 27 -10.999 -5.603 0.133 1.00 0.00 C ATOM 444 CD2 PHE A 27 -9.482 -6.611 1.663 1.00 0.00 C ATOM 445 CE1 PHE A 27 -11.947 -6.548 0.447 1.00 0.00 C ATOM 446 CE2 PHE A 27 -10.426 -7.558 1.985 1.00 0.00 C ATOM 447 CZ PHE A 27 -11.665 -7.528 1.376 1.00 0.00 C ATOM 0 H PHE A 27 -7.122 -2.452 0.775 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.974 -2.885 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.521 -4.693 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.791 -4.893 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -11.227 -4.838 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.513 -6.640 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -12.914 -6.523 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.199 -8.323 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 27 -12.410 -8.269 1.626 1.00 0.00 H new ATOM 457 N PRO A 28 -9.997 -2.059 2.644 1.00 0.00 N ATOM 458 CA PRO A 28 -10.359 -1.930 4.049 1.00 0.00 C ATOM 459 C PRO A 28 -11.090 -3.202 4.464 1.00 0.00 C ATOM 460 O PRO A 28 -12.301 -3.337 4.268 1.00 0.00 O ATOM 461 CB PRO A 28 -11.316 -0.731 4.054 1.00 0.00 C ATOM 462 CG PRO A 28 -11.812 -0.686 2.648 1.00 0.00 C ATOM 463 CD PRO A 28 -10.643 -1.023 1.822 1.00 0.00 C ATOM 0 HA PRO A 28 -9.517 -1.791 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.131 -0.869 4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.805 0.191 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.623 -1.397 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.201 0.301 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.929 -1.397 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.993 -0.163 1.659 1.00 0.00 H new ATOM 471 N THR A 29 -10.335 -4.137 4.960 1.00 0.00 N ATOM 472 CA THR A 29 -10.817 -5.453 5.198 1.00 0.00 C ATOM 473 C THR A 29 -11.962 -5.496 6.240 1.00 0.00 C ATOM 474 O THR A 29 -11.826 -5.009 7.374 1.00 0.00 O ATOM 475 CB THR A 29 -9.647 -6.422 5.527 1.00 0.00 C ATOM 476 OG1 THR A 29 -10.082 -7.774 5.439 1.00 0.00 O ATOM 477 CG2 THR A 29 -9.040 -6.154 6.905 1.00 0.00 C ATOM 0 H THR A 29 -9.356 -3.999 5.212 1.00 0.00 H new ATOM 0 HA THR A 29 -11.272 -5.807 4.273 1.00 0.00 H new ATOM 0 HB THR A 29 -8.867 -6.243 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.423 -8.065 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.227 -6.857 7.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.654 -5.135 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.806 -6.279 7.670 1.00 0.00 H new ATOM 485 N PRO A 30 -13.121 -6.056 5.835 1.00 0.00 N ATOM 486 CA PRO A 30 -14.309 -6.151 6.693 1.00 0.00 C ATOM 487 C PRO A 30 -14.164 -7.259 7.739 1.00 0.00 C ATOM 488 O PRO A 30 -14.797 -7.225 8.800 1.00 0.00 O ATOM 489 CB PRO A 30 -15.415 -6.501 5.691 1.00 0.00 C ATOM 490 CG PRO A 30 -14.708 -7.276 4.632 1.00 0.00 C ATOM 491 CD PRO A 30 -13.374 -6.610 4.482 1.00 0.00 C ATOM 0 HA PRO A 30 -14.496 -5.240 7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.205 -7.090 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.884 -5.605 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.596 -8.322 4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.264 -7.260 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.601 -7.319 4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.397 -5.827 3.724 1.00 0.00 H new ATOM 499 N ASP A 31 -13.310 -8.216 7.431 1.00 0.00 N ATOM 500 CA ASP A 31 -13.029 -9.363 8.281 1.00 0.00 C ATOM 501 C ASP A 31 -11.577 -9.665 8.126 1.00 0.00 C ATOM 502 O ASP A 31 -11.069 -9.568 7.027 1.00 0.00 O ATOM 503 CB ASP A 31 -13.781 -10.640 7.825 1.00 0.00 C ATOM 504 CG ASP A 31 -15.284 -10.585 7.874 1.00 0.00 C ATOM 505 OD1 ASP A 31 -15.866 -10.848 8.947 1.00 0.00 O ATOM 506 OD2 ASP A 31 -15.915 -10.370 6.814 1.00 0.00 O ATOM 0 H ASP A 31 -12.777 -8.220 6.561 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.335 -9.117 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.481 -10.866 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.449 -11.472 8.446 1.00 0.00 H new ATOM 511 N PRO A 32 -10.872 -10.075 9.176 1.00 0.00 N ATOM 512 CA PRO A 32 -9.466 -10.458 9.050 1.00 0.00 C ATOM 513 C PRO A 32 -9.327 -11.753 8.236 1.00 0.00 C ATOM 514 O PRO A 32 -8.255 -12.105 7.767 1.00 0.00 O ATOM 515 CB PRO A 32 -9.011 -10.671 10.490 1.00 0.00 C ATOM 516 CG PRO A 32 -10.261 -10.956 11.245 1.00 0.00 C ATOM 517 CD PRO A 32 -11.351 -10.172 10.564 1.00 0.00 C ATOM 0 HA PRO A 32 -8.871 -9.708 8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.307 -11.500 10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.506 -9.787 10.880 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.486 -12.023 11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.162 -10.659 12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.313 -10.682 10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.483 -9.188 11.015 1.00 0.00 H new ATOM 525 N ALA A 33 -10.441 -12.434 8.041 1.00 0.00 N ATOM 526 CA ALA A 33 -10.452 -13.645 7.262 1.00 0.00 C ATOM 527 C ALA A 33 -10.525 -13.328 5.770 1.00 0.00 C ATOM 528 O ALA A 33 -10.237 -14.172 4.937 1.00 0.00 O ATOM 529 CB ALA A 33 -11.576 -14.569 7.688 1.00 0.00 C ATOM 0 H ALA A 33 -11.350 -12.163 8.416 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.516 -14.171 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.554 -15.473 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.450 -14.835 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.533 -14.064 7.554 1.00 0.00 H new ATOM 535 N ALA A 34 -10.856 -12.082 5.431 1.00 0.00 N ATOM 536 CA ALA A 34 -10.886 -11.667 4.036 1.00 0.00 C ATOM 537 C ALA A 34 -9.456 -11.492 3.530 1.00 0.00 C ATOM 538 O ALA A 34 -9.192 -11.423 2.331 1.00 0.00 O ATOM 539 CB ALA A 34 -11.681 -10.385 3.880 1.00 0.00 C ATOM 0 H ALA A 34 -11.104 -11.352 6.099 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.379 -12.435 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.693 -10.090 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.703 -10.547 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.219 -9.596 4.474 1.00 0.00 H new ATOM 545 N LEU A 35 -8.533 -11.494 4.472 1.00 0.00 N ATOM 546 CA LEU A 35 -7.126 -11.341 4.201 1.00 0.00 C ATOM 547 C LEU A 35 -6.504 -12.688 3.824 1.00 0.00 C ATOM 548 O LEU A 35 -5.309 -12.790 3.606 1.00 0.00 O ATOM 549 CB LEU A 35 -6.434 -10.805 5.437 1.00 0.00 C ATOM 550 CG LEU A 35 -7.014 -9.523 6.013 1.00 0.00 C ATOM 551 CD1 LEU A 35 -6.483 -9.287 7.410 1.00 0.00 C ATOM 552 CD2 LEU A 35 -6.686 -8.349 5.116 1.00 0.00 C ATOM 0 H LEU A 35 -8.749 -11.604 5.463 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.002 -10.647 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.462 -11.574 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.385 -10.632 5.197 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.098 -9.624 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.907 -8.366 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.762 -10.123 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.397 -9.202 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.107 -7.438 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.604 -8.245 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.110 -8.518 4.126 1.00 0.00 H new ATOM 564 N LYS A 36 -7.312 -13.725 3.794 1.00 0.00 N ATOM 565 CA LYS A 36 -6.854 -15.048 3.396 1.00 0.00 C ATOM 566 C LYS A 36 -7.838 -15.651 2.403 1.00 0.00 C ATOM 567 O LYS A 36 -7.840 -16.854 2.137 1.00 0.00 O ATOM 568 CB LYS A 36 -6.655 -15.932 4.632 1.00 0.00 C ATOM 569 CG LYS A 36 -7.901 -16.112 5.483 1.00 0.00 C ATOM 570 CD LYS A 36 -7.597 -16.763 6.822 1.00 0.00 C ATOM 571 CE LYS A 36 -6.691 -15.878 7.674 1.00 0.00 C ATOM 572 NZ LYS A 36 -6.445 -16.452 9.005 1.00 0.00 N ATOM 0 H LYS A 36 -8.300 -13.681 4.042 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.887 -14.974 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.305 -16.913 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.867 -15.500 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.367 -15.141 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.623 -16.722 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.528 -16.955 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.118 -17.728 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.740 -15.734 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.146 -14.894 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.825 -15.817 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.349 -16.566 9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.986 -17.380 8.904 1.00 0.00 H new ATOM 586 N ASP A 37 -8.627 -14.773 1.820 1.00 0.00 N ATOM 587 CA ASP A 37 -9.667 -15.123 0.848 1.00 0.00 C ATOM 588 C ASP A 37 -9.025 -15.410 -0.515 1.00 0.00 C ATOM 589 O ASP A 37 -7.812 -15.217 -0.693 1.00 0.00 O ATOM 590 CB ASP A 37 -10.618 -13.927 0.716 1.00 0.00 C ATOM 591 CG ASP A 37 -11.824 -14.161 -0.148 1.00 0.00 C ATOM 592 OD1 ASP A 37 -12.736 -14.866 0.274 1.00 0.00 O ATOM 593 OD2 ASP A 37 -11.844 -13.671 -1.288 1.00 0.00 O ATOM 0 H ASP A 37 -8.570 -13.772 2.006 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.208 -16.009 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.955 -13.639 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.060 -13.082 0.312 1.00 0.00 H new ATOM 598 N ARG A 38 -9.813 -15.844 -1.472 1.00 0.00 N ATOM 599 CA ARG A 38 -9.319 -16.079 -2.816 1.00 0.00 C ATOM 600 C ARG A 38 -8.987 -14.739 -3.484 1.00 0.00 C ATOM 601 O ARG A 38 -8.114 -14.653 -4.344 1.00 0.00 O ATOM 602 CB ARG A 38 -10.332 -16.868 -3.665 1.00 0.00 C ATOM 603 CG ARG A 38 -11.458 -16.050 -4.319 1.00 0.00 C ATOM 604 CD ARG A 38 -12.581 -15.706 -3.361 1.00 0.00 C ATOM 605 NE ARG A 38 -13.491 -16.843 -3.148 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.487 -16.906 -2.246 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.563 -16.038 -1.254 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.364 -17.894 -2.308 1.00 0.00 N ATOM 0 H ARG A 38 -10.805 -16.043 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.415 -16.684 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.786 -17.389 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.786 -17.631 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.040 -15.129 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.866 -16.612 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.160 -15.395 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.144 -14.859 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.353 -17.661 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.860 -15.305 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.325 -16.100 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.283 -18.603 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.121 -17.947 -1.627 1.00 0.00 H new ATOM 622 N ARG A 39 -9.677 -13.686 -3.053 1.00 0.00 N ATOM 623 CA ARG A 39 -9.440 -12.351 -3.559 1.00 0.00 C ATOM 624 C ARG A 39 -8.141 -11.810 -3.006 1.00 0.00 C ATOM 625 O ARG A 39 -7.518 -10.919 -3.589 1.00 0.00 O ATOM 626 CB ARG A 39 -10.612 -11.448 -3.212 1.00 0.00 C ATOM 627 CG ARG A 39 -10.448 -10.000 -3.607 1.00 0.00 C ATOM 628 CD ARG A 39 -11.745 -9.259 -3.458 1.00 0.00 C ATOM 629 NE ARG A 39 -12.747 -9.772 -4.395 1.00 0.00 N ATOM 630 CZ ARG A 39 -13.534 -9.014 -5.142 1.00 0.00 C ATOM 631 NH1 ARG A 39 -13.481 -7.697 -5.016 1.00 0.00 N ATOM 632 NH2 ARG A 39 -14.381 -9.574 -6.004 1.00 0.00 N ATOM 0 H ARG A 39 -10.411 -13.741 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.353 -12.385 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.507 -11.840 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.782 -11.497 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.683 -9.533 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.104 -9.936 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.111 -9.359 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.584 -8.196 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.845 -10.784 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.837 -7.274 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.084 -7.105 -5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.424 -10.589 -6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.986 -8.987 -6.578 1.00 0.00 H new ATOM 646 N MET A 40 -7.710 -12.382 -1.902 1.00 0.00 N ATOM 647 CA MET A 40 -6.462 -12.002 -1.294 1.00 0.00 C ATOM 648 C MET A 40 -5.300 -12.253 -2.217 1.00 0.00 C ATOM 649 O MET A 40 -4.445 -11.399 -2.336 1.00 0.00 O ATOM 650 CB MET A 40 -6.253 -12.667 0.085 1.00 0.00 C ATOM 651 CG MET A 40 -4.807 -12.681 0.616 1.00 0.00 C ATOM 652 SD MET A 40 -3.981 -11.072 0.596 1.00 0.00 S ATOM 653 CE MET A 40 -5.219 -10.019 1.304 1.00 0.00 C ATOM 0 H MET A 40 -8.214 -13.118 -1.407 1.00 0.00 H new ATOM 0 HA MET A 40 -6.512 -10.928 -1.115 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.881 -12.153 0.813 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.608 -13.696 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.813 -13.059 1.638 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.222 -13.382 0.021 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.296 -9.103 0.718 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.180 -10.534 1.301 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.943 -9.771 2.329 1.00 0.00 H new ATOM 663 N GLU A 41 -5.304 -13.379 -2.944 1.00 0.00 N ATOM 664 CA GLU A 41 -4.159 -13.655 -3.818 1.00 0.00 C ATOM 665 C GLU A 41 -4.048 -12.573 -4.884 1.00 0.00 C ATOM 666 O GLU A 41 -2.968 -12.199 -5.262 1.00 0.00 O ATOM 667 CB GLU A 41 -4.189 -15.055 -4.448 1.00 0.00 C ATOM 668 CG GLU A 41 -5.235 -15.266 -5.513 1.00 0.00 C ATOM 669 CD GLU A 41 -5.210 -16.672 -6.048 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.583 -17.608 -5.311 1.00 0.00 O ATOM 671 OE2 GLU A 41 -4.757 -16.879 -7.197 1.00 0.00 O ATOM 0 H GLU A 41 -6.045 -14.079 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.269 -13.639 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.210 -15.261 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.349 -15.787 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.221 -15.051 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.070 -14.563 -6.330 1.00 0.00 H new ATOM 678 N ASN A 42 -5.194 -12.029 -5.258 1.00 0.00 N ATOM 679 CA ASN A 42 -5.323 -10.951 -6.233 1.00 0.00 C ATOM 680 C ASN A 42 -4.792 -9.639 -5.655 1.00 0.00 C ATOM 681 O ASN A 42 -3.969 -8.958 -6.270 1.00 0.00 O ATOM 682 CB ASN A 42 -6.816 -10.835 -6.635 1.00 0.00 C ATOM 683 CG ASN A 42 -7.196 -9.573 -7.397 1.00 0.00 C ATOM 684 OD1 ASN A 42 -7.101 -9.514 -8.619 1.00 0.00 O ATOM 685 ND2 ASN A 42 -7.706 -8.590 -6.688 1.00 0.00 N ATOM 0 H ASN A 42 -6.091 -12.333 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.729 -11.170 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.077 -11.699 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.422 -10.888 -5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.038 -7.745 -7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.770 -8.673 -5.673 1.00 0.00 H new ATOM 692 N LEU A 43 -5.226 -9.328 -4.452 1.00 0.00 N ATOM 693 CA LEU A 43 -4.849 -8.093 -3.772 1.00 0.00 C ATOM 694 C LEU A 43 -3.386 -8.081 -3.400 1.00 0.00 C ATOM 695 O LEU A 43 -2.690 -7.093 -3.621 1.00 0.00 O ATOM 696 CB LEU A 43 -5.709 -7.906 -2.536 1.00 0.00 C ATOM 697 CG LEU A 43 -7.195 -7.743 -2.809 1.00 0.00 C ATOM 698 CD1 LEU A 43 -7.983 -7.818 -1.528 1.00 0.00 C ATOM 699 CD2 LEU A 43 -7.452 -6.429 -3.514 1.00 0.00 C ATOM 0 H LEU A 43 -5.853 -9.923 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.016 -7.265 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.567 -8.764 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.356 -7.028 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.521 -8.558 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.044 -7.699 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.816 -8.785 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.660 -7.024 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.520 -6.321 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.111 -5.606 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.910 -6.412 -4.460 1.00 0.00 H new ATOM 711 N VAL A 44 -2.907 -9.177 -2.863 1.00 0.00 N ATOM 712 CA VAL A 44 -1.530 -9.251 -2.470 1.00 0.00 C ATOM 713 C VAL A 44 -0.638 -9.330 -3.709 1.00 0.00 C ATOM 714 O VAL A 44 0.435 -8.776 -3.712 1.00 0.00 O ATOM 715 CB VAL A 44 -1.249 -10.405 -1.463 1.00 0.00 C ATOM 716 CG1 VAL A 44 -1.296 -11.777 -2.096 1.00 0.00 C ATOM 717 CG2 VAL A 44 0.035 -10.172 -0.688 1.00 0.00 C ATOM 0 H VAL A 44 -3.450 -10.023 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.288 -8.336 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.069 -10.388 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.092 -12.534 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.285 -11.947 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.546 -11.840 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.197 -10.998 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.873 -10.111 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.042 -9.240 -0.129 1.00 0.00 H new ATOM 727 N ALA A 45 -1.130 -9.962 -4.788 1.00 0.00 N ATOM 728 CA ALA A 45 -0.378 -10.025 -6.052 1.00 0.00 C ATOM 729 C ALA A 45 -0.183 -8.615 -6.593 1.00 0.00 C ATOM 730 O ALA A 45 0.892 -8.254 -7.079 1.00 0.00 O ATOM 731 CB ALA A 45 -1.093 -10.889 -7.079 1.00 0.00 C ATOM 0 H ALA A 45 -2.035 -10.432 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 45 0.593 -10.481 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.512 -10.915 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.202 -11.901 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.079 -10.471 -7.283 1.00 0.00 H new ATOM 737 N TYR A 46 -1.235 -7.828 -6.490 1.00 0.00 N ATOM 738 CA TYR A 46 -1.210 -6.413 -6.813 1.00 0.00 C ATOM 739 C TYR A 46 -0.208 -5.703 -5.918 1.00 0.00 C ATOM 740 O TYR A 46 0.639 -5.003 -6.399 1.00 0.00 O ATOM 741 CB TYR A 46 -2.644 -5.826 -6.641 1.00 0.00 C ATOM 742 CG TYR A 46 -2.749 -4.339 -6.264 1.00 0.00 C ATOM 743 CD1 TYR A 46 -2.648 -3.938 -4.931 1.00 0.00 C ATOM 744 CD2 TYR A 46 -2.960 -3.361 -7.206 1.00 0.00 C ATOM 745 CE1 TYR A 46 -2.747 -2.621 -4.555 1.00 0.00 C ATOM 746 CE2 TYR A 46 -3.067 -2.033 -6.828 1.00 0.00 C ATOM 747 CZ TYR A 46 -2.960 -1.673 -5.510 1.00 0.00 C ATOM 748 OH TYR A 46 -3.065 -0.346 -5.154 1.00 0.00 O ATOM 0 H TYR A 46 -2.147 -8.158 -6.174 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.899 -6.266 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.186 -5.978 -7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.158 -6.407 -5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.487 -4.688 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.043 -3.630 -8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.657 -2.340 -3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.236 -1.275 -7.578 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.215 0.197 -5.956 1.00 0.00 H new ATOM 758 N ALA A 47 -0.300 -5.922 -4.630 1.00 0.00 N ATOM 759 CA ALA A 47 0.565 -5.247 -3.683 1.00 0.00 C ATOM 760 C ALA A 47 2.030 -5.562 -3.962 1.00 0.00 C ATOM 761 O ALA A 47 2.877 -4.683 -3.941 1.00 0.00 O ATOM 762 CB ALA A 47 0.172 -5.611 -2.273 1.00 0.00 C ATOM 0 H ALA A 47 -0.968 -6.566 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 47 0.443 -4.170 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.828 -5.099 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.860 -5.309 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.264 -6.689 -2.136 1.00 0.00 H new ATOM 768 N LYS A 48 2.290 -6.806 -4.287 1.00 0.00 N ATOM 769 CA LYS A 48 3.620 -7.269 -4.631 1.00 0.00 C ATOM 770 C LYS A 48 4.115 -6.621 -5.905 1.00 0.00 C ATOM 771 O LYS A 48 5.232 -6.109 -5.947 1.00 0.00 O ATOM 772 CB LYS A 48 3.606 -8.769 -4.815 1.00 0.00 C ATOM 773 CG LYS A 48 3.286 -9.538 -3.547 1.00 0.00 C ATOM 774 CD LYS A 48 3.172 -11.015 -3.822 1.00 0.00 C ATOM 775 CE LYS A 48 2.804 -11.792 -2.569 1.00 0.00 C ATOM 776 NZ LYS A 48 2.886 -13.256 -2.774 1.00 0.00 N ATOM 0 H LYS A 48 1.578 -7.536 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 48 4.291 -6.995 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.872 -9.025 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.579 -9.089 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.065 -9.362 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.352 -9.171 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.418 -11.185 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.118 -11.386 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.470 -11.503 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.792 -11.526 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.627 -13.745 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.232 -13.538 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.857 -13.515 -3.041 1.00 0.00 H new ATOM 790 N LYS A 49 3.277 -6.625 -6.939 1.00 0.00 N ATOM 791 CA LYS A 49 3.661 -6.075 -8.234 1.00 0.00 C ATOM 792 C LYS A 49 3.922 -4.570 -8.102 1.00 0.00 C ATOM 793 O LYS A 49 4.852 -4.036 -8.698 1.00 0.00 O ATOM 794 CB LYS A 49 2.574 -6.333 -9.306 1.00 0.00 C ATOM 795 CG LYS A 49 1.389 -5.457 -9.209 1.00 0.00 C ATOM 796 CD LYS A 49 0.471 -5.623 -10.377 1.00 0.00 C ATOM 797 CE LYS A 49 -0.474 -4.452 -10.470 1.00 0.00 C ATOM 798 NZ LYS A 49 0.202 -3.173 -10.834 1.00 0.00 N ATOM 0 H LYS A 49 2.330 -7.002 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 49 4.573 -6.577 -8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.020 -6.209 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.249 -7.371 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.848 -5.679 -8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.711 -4.418 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.052 -5.704 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.095 -6.549 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.242 -4.672 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.981 -4.327 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.511 -2.475 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.723 -2.809 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.865 -3.342 -11.617 1.00 0.00 H new ATOM 812 N VAL A 50 3.092 -3.919 -7.288 1.00 0.00 N ATOM 813 CA VAL A 50 3.182 -2.510 -7.030 1.00 0.00 C ATOM 814 C VAL A 50 4.490 -2.215 -6.327 1.00 0.00 C ATOM 815 O VAL A 50 5.295 -1.443 -6.824 1.00 0.00 O ATOM 816 CB VAL A 50 1.948 -2.020 -6.190 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.115 -0.608 -5.685 1.00 0.00 C ATOM 818 CG2 VAL A 50 0.676 -2.101 -7.020 1.00 0.00 C ATOM 0 H VAL A 50 2.330 -4.377 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 50 3.164 -1.963 -7.973 1.00 0.00 H new ATOM 0 HB VAL A 50 1.879 -2.681 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.234 -0.320 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.997 -0.552 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.234 0.069 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.170 -1.758 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.777 -1.470 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.508 -3.133 -7.328 1.00 0.00 H new ATOM 828 N GLU A 51 4.721 -2.926 -5.236 1.00 0.00 N ATOM 829 CA GLU A 51 5.922 -2.791 -4.423 1.00 0.00 C ATOM 830 C GLU A 51 7.158 -3.010 -5.291 1.00 0.00 C ATOM 831 O GLU A 51 8.077 -2.198 -5.283 1.00 0.00 O ATOM 832 CB GLU A 51 5.831 -3.812 -3.266 1.00 0.00 C ATOM 833 CG GLU A 51 6.904 -3.754 -2.174 1.00 0.00 C ATOM 834 CD GLU A 51 8.259 -4.327 -2.576 1.00 0.00 C ATOM 835 OE1 GLU A 51 8.298 -5.407 -3.208 1.00 0.00 O ATOM 836 OE2 GLU A 51 9.289 -3.783 -2.187 1.00 0.00 O ATOM 0 H GLU A 51 4.069 -3.626 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 51 6.004 -1.790 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.859 -3.689 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.849 -4.812 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.040 -2.715 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.542 -4.295 -1.300 1.00 0.00 H new ATOM 843 N GLY A 52 7.122 -4.066 -6.091 1.00 0.00 N ATOM 844 CA GLY A 52 8.221 -4.403 -6.966 1.00 0.00 C ATOM 845 C GLY A 52 8.496 -3.332 -7.992 1.00 0.00 C ATOM 846 O GLY A 52 9.647 -2.985 -8.234 1.00 0.00 O ATOM 0 H GLY A 52 6.331 -4.707 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.118 -4.568 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.000 -5.341 -7.476 1.00 0.00 H new ATOM 850 N ASP A 53 7.435 -2.790 -8.560 1.00 0.00 N ATOM 851 CA ASP A 53 7.516 -1.727 -9.571 1.00 0.00 C ATOM 852 C ASP A 53 8.254 -0.516 -9.024 1.00 0.00 C ATOM 853 O ASP A 53 9.244 -0.062 -9.596 1.00 0.00 O ATOM 854 CB ASP A 53 6.111 -1.317 -10.005 1.00 0.00 C ATOM 855 CG ASP A 53 6.105 -0.223 -11.049 1.00 0.00 C ATOM 856 OD1 ASP A 53 6.349 -0.525 -12.246 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.828 0.949 -10.702 1.00 0.00 O ATOM 0 H ASP A 53 6.480 -3.071 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 53 8.067 -2.111 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.591 -2.190 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.552 -0.980 -9.132 1.00 0.00 H new ATOM 862 N MET A 54 7.802 -0.033 -7.889 1.00 0.00 N ATOM 863 CA MET A 54 8.429 1.112 -7.238 1.00 0.00 C ATOM 864 C MET A 54 9.826 0.807 -6.724 1.00 0.00 C ATOM 865 O MET A 54 10.712 1.666 -6.764 1.00 0.00 O ATOM 866 CB MET A 54 7.527 1.771 -6.171 1.00 0.00 C ATOM 867 CG MET A 54 6.642 0.855 -5.382 1.00 0.00 C ATOM 868 SD MET A 54 4.914 1.439 -5.424 1.00 0.00 S ATOM 869 CE MET A 54 4.584 1.574 -7.193 1.00 0.00 C ATOM 0 H MET A 54 6.998 -0.413 -7.389 1.00 0.00 H new ATOM 0 HA MET A 54 8.555 1.862 -8.019 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.165 2.313 -5.473 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.897 2.510 -6.667 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.700 -0.155 -5.788 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.990 0.804 -4.350 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.513 1.480 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.928 2.543 -7.554 1.00 0.00 H new ATOM 0 HE3 MET A 54 5.111 0.781 -7.723 1.00 0.00 H new ATOM 879 N TYR A 55 10.030 -0.419 -6.306 1.00 0.00 N ATOM 880 CA TYR A 55 11.320 -0.898 -5.832 1.00 0.00 C ATOM 881 C TYR A 55 12.338 -0.871 -6.990 1.00 0.00 C ATOM 882 O TYR A 55 13.472 -0.459 -6.829 1.00 0.00 O ATOM 883 CB TYR A 55 11.133 -2.330 -5.308 1.00 0.00 C ATOM 884 CG TYR A 55 12.346 -3.006 -4.734 1.00 0.00 C ATOM 885 CD1 TYR A 55 12.709 -2.808 -3.416 1.00 0.00 C ATOM 886 CD2 TYR A 55 13.105 -3.880 -5.501 1.00 0.00 C ATOM 887 CE1 TYR A 55 13.793 -3.456 -2.874 1.00 0.00 C ATOM 888 CE2 TYR A 55 14.197 -4.527 -4.967 1.00 0.00 C ATOM 889 CZ TYR A 55 14.536 -4.310 -3.653 1.00 0.00 C ATOM 890 OH TYR A 55 15.615 -4.967 -3.110 1.00 0.00 O ATOM 0 H TYR A 55 9.297 -1.128 -6.283 1.00 0.00 H new ATOM 0 HA TYR A 55 11.698 -0.261 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.359 -2.312 -4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.757 -2.945 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 55 12.132 -2.133 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 55 12.835 -4.055 -6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.060 -3.295 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.782 -5.200 -5.576 1.00 0.00 H new ATOM 0 HH TYR A 55 16.031 -5.533 -3.793 1.00 0.00 H new ATOM 900 N GLU A 56 11.907 -1.285 -8.160 1.00 0.00 N ATOM 901 CA GLU A 56 12.780 -1.295 -9.321 1.00 0.00 C ATOM 902 C GLU A 56 12.898 0.080 -9.956 1.00 0.00 C ATOM 903 O GLU A 56 13.872 0.361 -10.643 1.00 0.00 O ATOM 904 CB GLU A 56 12.321 -2.318 -10.346 1.00 0.00 C ATOM 905 CG GLU A 56 12.362 -3.738 -9.830 1.00 0.00 C ATOM 906 CD GLU A 56 11.876 -4.738 -10.852 1.00 0.00 C ATOM 907 OE1 GLU A 56 10.643 -4.870 -11.036 1.00 0.00 O ATOM 908 OE2 GLU A 56 12.714 -5.427 -11.482 1.00 0.00 O ATOM 0 H GLU A 56 10.960 -1.619 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 56 13.771 -1.581 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.304 -2.080 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.951 -2.242 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.383 -3.987 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.748 -3.813 -8.932 1.00 0.00 H new ATOM 915 N SER A 57 11.937 0.930 -9.714 1.00 0.00 N ATOM 916 CA SER A 57 11.932 2.267 -10.269 1.00 0.00 C ATOM 917 C SER A 57 12.864 3.220 -9.488 1.00 0.00 C ATOM 918 O SER A 57 13.793 3.806 -10.068 1.00 0.00 O ATOM 919 CB SER A 57 10.491 2.816 -10.296 1.00 0.00 C ATOM 920 OG SER A 57 10.417 4.106 -10.893 1.00 0.00 O ATOM 0 H SER A 57 11.131 0.720 -9.126 1.00 0.00 H new ATOM 0 HA SER A 57 12.315 2.209 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.852 2.126 -10.846 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.104 2.866 -9.278 1.00 0.00 H new ATOM 0 HG SER A 57 9.487 4.415 -10.891 1.00 0.00 H new ATOM 926 N ALA A 58 12.659 3.302 -8.176 1.00 0.00 N ATOM 927 CA ALA A 58 13.331 4.280 -7.302 1.00 0.00 C ATOM 928 C ALA A 58 14.845 4.141 -7.231 1.00 0.00 C ATOM 929 O ALA A 58 15.413 3.084 -7.534 1.00 0.00 O ATOM 930 CB ALA A 58 12.771 4.187 -5.923 1.00 0.00 C ATOM 0 H ALA A 58 12.016 2.688 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 58 13.137 5.253 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.269 4.911 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.702 4.400 -5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.932 3.182 -5.532 1.00 0.00 H new ATOM 936 N ASN A 59 15.490 5.213 -6.810 1.00 0.00 N ATOM 937 CA ASN A 59 16.938 5.248 -6.673 1.00 0.00 C ATOM 938 C ASN A 59 17.365 5.110 -5.224 1.00 0.00 C ATOM 939 O ASN A 59 18.555 5.088 -4.911 1.00 0.00 O ATOM 940 CB ASN A 59 17.547 6.512 -7.352 1.00 0.00 C ATOM 941 CG ASN A 59 17.227 7.912 -6.737 1.00 0.00 C ATOM 942 OD1 ASN A 59 17.173 8.060 -5.424 1.00 0.00 O flip ATOM 943 ND2 ASN A 59 17.109 8.887 -7.484 1.00 0.00 N flip ATOM 0 H ASN A 59 15.027 6.085 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 59 17.339 4.383 -7.202 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.631 6.394 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.217 6.522 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.152 8.763 -8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.968 9.817 -7.090 1.00 0.00 H new ATOM 950 N SER A 60 16.393 5.028 -4.347 1.00 0.00 N ATOM 951 CA SER A 60 16.624 4.861 -2.925 1.00 0.00 C ATOM 952 C SER A 60 15.415 4.204 -2.321 1.00 0.00 C ATOM 953 O SER A 60 14.327 4.252 -2.920 1.00 0.00 O ATOM 954 CB SER A 60 16.831 6.206 -2.256 1.00 0.00 C ATOM 955 OG SER A 60 17.885 6.928 -2.869 1.00 0.00 O ATOM 0 H SER A 60 15.406 5.076 -4.600 1.00 0.00 H new ATOM 0 HA SER A 60 17.516 4.252 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.910 6.787 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.054 6.059 -1.199 1.00 0.00 H new ATOM 0 HG SER A 60 17.571 7.311 -3.715 1.00 0.00 H new ATOM 961 N ARG A 61 15.562 3.605 -1.148 1.00 0.00 N ATOM 962 CA ARG A 61 14.414 2.958 -0.546 1.00 0.00 C ATOM 963 C ARG A 61 13.420 3.957 -0.029 1.00 0.00 C ATOM 964 O ARG A 61 12.256 3.741 -0.161 1.00 0.00 O ATOM 965 CB ARG A 61 14.711 1.857 0.501 1.00 0.00 C ATOM 966 CG ARG A 61 15.291 2.293 1.832 1.00 0.00 C ATOM 967 CD ARG A 61 16.685 2.776 1.701 1.00 0.00 C ATOM 968 NE ARG A 61 17.258 3.078 3.027 1.00 0.00 N ATOM 969 CZ ARG A 61 18.408 3.736 3.280 1.00 0.00 C ATOM 970 NH1 ARG A 61 19.173 4.170 2.288 1.00 0.00 N ATOM 971 NH2 ARG A 61 18.763 3.973 4.536 1.00 0.00 N ATOM 0 H ARG A 61 16.430 3.555 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 61 13.972 2.408 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.782 1.322 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.401 1.143 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.672 3.084 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.262 1.457 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.291 2.021 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.709 3.669 1.077 1.00 0.00 H new ATOM 0 HE ARG A 61 16.729 2.755 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.894 4.008 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.040 4.666 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.168 3.658 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.631 4.470 4.735 1.00 0.00 H new ATOM 985 N ASP A 62 13.896 5.078 0.521 1.00 0.00 N ATOM 986 CA ASP A 62 12.998 6.153 0.997 1.00 0.00 C ATOM 987 C ASP A 62 12.182 6.667 -0.162 1.00 0.00 C ATOM 988 O ASP A 62 11.023 6.933 -0.021 1.00 0.00 O ATOM 989 CB ASP A 62 13.803 7.308 1.597 1.00 0.00 C ATOM 990 CG ASP A 62 12.970 8.527 1.938 1.00 0.00 C ATOM 991 OD1 ASP A 62 12.304 8.522 2.985 1.00 0.00 O ATOM 992 OD2 ASP A 62 12.990 9.539 1.165 1.00 0.00 O ATOM 0 H ASP A 62 14.889 5.271 0.650 1.00 0.00 H new ATOM 0 HA ASP A 62 12.344 5.746 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.303 6.958 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.583 7.599 0.893 1.00 0.00 H new ATOM 997 N GLU A 63 12.813 6.755 -1.325 1.00 0.00 N ATOM 998 CA GLU A 63 12.141 7.182 -2.534 1.00 0.00 C ATOM 999 C GLU A 63 11.067 6.178 -2.957 1.00 0.00 C ATOM 1000 O GLU A 63 9.930 6.566 -3.243 1.00 0.00 O ATOM 1001 CB GLU A 63 13.146 7.440 -3.657 1.00 0.00 C ATOM 1002 CG GLU A 63 12.500 7.681 -5.008 1.00 0.00 C ATOM 1003 CD GLU A 63 13.419 8.256 -6.005 1.00 0.00 C ATOM 1004 OE1 GLU A 63 14.098 7.487 -6.693 1.00 0.00 O ATOM 1005 OE2 GLU A 63 13.464 9.499 -6.129 1.00 0.00 O ATOM 0 H GLU A 63 13.800 6.533 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 63 11.636 8.124 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.755 8.305 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.820 6.587 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.109 6.737 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.649 8.351 -4.881 1.00 0.00 H new ATOM 1012 N TYR A 64 11.421 4.895 -2.961 1.00 0.00 N ATOM 1013 CA TYR A 64 10.495 3.846 -3.341 1.00 0.00 C ATOM 1014 C TYR A 64 9.327 3.802 -2.347 1.00 0.00 C ATOM 1015 O TYR A 64 8.167 3.773 -2.739 1.00 0.00 O ATOM 1016 CB TYR A 64 11.267 2.494 -3.489 1.00 0.00 C ATOM 1017 CG TYR A 64 10.781 1.345 -2.669 1.00 0.00 C ATOM 1018 CD1 TYR A 64 9.719 0.577 -3.097 1.00 0.00 C ATOM 1019 CD2 TYR A 64 11.376 1.039 -1.455 1.00 0.00 C ATOM 1020 CE1 TYR A 64 9.258 -0.463 -2.353 1.00 0.00 C ATOM 1021 CE2 TYR A 64 10.909 -0.006 -0.696 1.00 0.00 C ATOM 1022 CZ TYR A 64 9.848 -0.751 -1.158 1.00 0.00 C ATOM 1023 OH TYR A 64 9.381 -1.784 -0.428 1.00 0.00 O ATOM 0 H TYR A 64 12.350 4.562 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 64 10.051 4.049 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.236 2.199 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.313 2.671 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.245 0.806 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.212 1.626 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.429 -1.058 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.369 -0.240 0.253 1.00 0.00 H new ATOM 0 HH TYR A 64 9.158 -2.531 -1.023 1.00 0.00 H new ATOM 1033 N TYR A 65 9.683 3.875 -1.079 1.00 0.00 N ATOM 1034 CA TYR A 65 8.777 3.954 0.050 1.00 0.00 C ATOM 1035 C TYR A 65 7.853 5.145 -0.136 1.00 0.00 C ATOM 1036 O TYR A 65 6.665 5.026 -0.001 1.00 0.00 O ATOM 1037 CB TYR A 65 9.683 4.182 1.261 1.00 0.00 C ATOM 1038 CG TYR A 65 9.100 4.579 2.588 1.00 0.00 C ATOM 1039 CD1 TYR A 65 8.293 5.701 2.746 1.00 0.00 C ATOM 1040 CD2 TYR A 65 9.422 3.871 3.689 1.00 0.00 C ATOM 1041 CE1 TYR A 65 7.827 6.073 3.955 1.00 0.00 C ATOM 1042 CE2 TYR A 65 8.979 4.246 4.904 1.00 0.00 C ATOM 1043 CZ TYR A 65 8.179 5.338 5.047 1.00 0.00 C ATOM 1044 OH TYR A 65 7.773 5.709 6.302 1.00 0.00 O ATOM 0 H TYR A 65 10.662 3.881 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 65 8.159 3.063 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.245 3.262 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.403 4.952 0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.033 6.289 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.043 2.992 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.187 6.937 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.262 3.674 5.775 1.00 0.00 H new ATOM 0 HH TYR A 65 6.796 5.782 6.322 1.00 0.00 H new ATOM 1054 N HIS A 66 8.442 6.283 -0.455 1.00 0.00 N ATOM 1055 CA HIS A 66 7.737 7.545 -0.605 1.00 0.00 C ATOM 1056 C HIS A 66 6.711 7.485 -1.698 1.00 0.00 C ATOM 1057 O HIS A 66 5.548 7.743 -1.460 1.00 0.00 O ATOM 1058 CB HIS A 66 8.734 8.700 -0.860 1.00 0.00 C ATOM 1059 CG HIS A 66 8.107 10.003 -1.258 1.00 0.00 C ATOM 1060 ND1 HIS A 66 7.381 10.889 -0.538 1.00 0.00 N flip ATOM 1061 CD2 HIS A 66 8.172 10.511 -2.534 1.00 0.00 C flip ATOM 1062 CE1 HIS A 66 6.999 11.936 -1.370 1.00 0.00 C flip ATOM 1063 NE2 HIS A 66 7.503 11.648 -2.562 1.00 0.00 N flip ATOM 0 H HIS A 66 9.446 6.358 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 66 7.210 7.736 0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.322 8.858 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 66 9.428 8.394 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.683 10.057 -3.370 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.414 12.803 -1.101 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.389 12.229 -3.392 1.00 0.00 H new ATOM 1071 N LEU A 67 7.130 7.128 -2.879 1.00 0.00 N ATOM 1072 CA LEU A 67 6.237 7.134 -3.999 1.00 0.00 C ATOM 1073 C LEU A 67 5.163 6.039 -3.865 1.00 0.00 C ATOM 1074 O LEU A 67 4.027 6.199 -4.356 1.00 0.00 O ATOM 1075 CB LEU A 67 7.013 7.160 -5.341 1.00 0.00 C ATOM 1076 CG LEU A 67 7.834 5.935 -5.724 1.00 0.00 C ATOM 1077 CD1 LEU A 67 7.002 4.988 -6.527 1.00 0.00 C ATOM 1078 CD2 LEU A 67 9.086 6.315 -6.489 1.00 0.00 C ATOM 0 H LEU A 67 8.083 6.830 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 67 5.669 8.064 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.292 7.340 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.685 8.018 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 67 8.148 5.444 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.599 4.116 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.141 4.671 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.658 5.485 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.644 5.414 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.809 6.841 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.707 6.964 -5.871 1.00 0.00 H new ATOM 1090 N LEU A 68 5.503 4.941 -3.184 1.00 0.00 N ATOM 1091 CA LEU A 68 4.518 3.917 -2.910 1.00 0.00 C ATOM 1092 C LEU A 68 3.545 4.453 -1.853 1.00 0.00 C ATOM 1093 O LEU A 68 2.337 4.271 -1.974 1.00 0.00 O ATOM 1094 CB LEU A 68 5.181 2.563 -2.493 1.00 0.00 C ATOM 1095 CG LEU A 68 5.549 2.304 -1.042 1.00 0.00 C ATOM 1096 CD1 LEU A 68 4.347 1.794 -0.273 1.00 0.00 C ATOM 1097 CD2 LEU A 68 6.669 1.311 -0.967 1.00 0.00 C ATOM 0 H LEU A 68 6.437 4.749 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 68 3.961 3.690 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.506 1.765 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.092 2.455 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 68 5.875 3.242 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.629 1.614 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.550 2.537 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.996 0.864 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.927 1.131 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.357 0.375 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.539 1.704 -1.493 1.00 0.00 H new ATOM 1109 N ALA A 69 4.093 5.159 -0.839 1.00 0.00 N ATOM 1110 CA ALA A 69 3.313 5.794 0.207 1.00 0.00 C ATOM 1111 C ALA A 69 2.347 6.797 -0.410 1.00 0.00 C ATOM 1112 O ALA A 69 1.222 6.895 0.005 1.00 0.00 O ATOM 1113 CB ALA A 69 4.237 6.459 1.235 1.00 0.00 C ATOM 0 H ALA A 69 5.099 5.296 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 69 2.729 5.039 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.636 6.931 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.884 5.705 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.848 7.214 0.740 1.00 0.00 H new ATOM 1119 N GLU A 70 2.810 7.487 -1.435 1.00 0.00 N ATOM 1120 CA GLU A 70 2.008 8.420 -2.228 1.00 0.00 C ATOM 1121 C GLU A 70 0.829 7.721 -2.908 1.00 0.00 C ATOM 1122 O GLU A 70 -0.331 8.168 -2.809 1.00 0.00 O ATOM 1123 CB GLU A 70 2.898 9.062 -3.284 1.00 0.00 C ATOM 1124 CG GLU A 70 3.823 10.124 -2.743 1.00 0.00 C ATOM 1125 CD GLU A 70 3.167 11.475 -2.739 1.00 0.00 C ATOM 1126 OE1 GLU A 70 2.278 11.725 -1.909 1.00 0.00 O ATOM 1127 OE2 GLU A 70 3.508 12.303 -3.605 1.00 0.00 O ATOM 0 H GLU A 70 3.777 7.418 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 70 1.601 9.177 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.494 8.285 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.268 9.503 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.126 9.862 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.730 10.160 -3.347 1.00 0.00 H new ATOM 1134 N LYS A 71 1.100 6.617 -3.591 1.00 0.00 N ATOM 1135 CA LYS A 71 0.033 5.945 -4.299 1.00 0.00 C ATOM 1136 C LYS A 71 -0.915 5.230 -3.341 1.00 0.00 C ATOM 1137 O LYS A 71 -2.120 5.221 -3.549 1.00 0.00 O ATOM 1138 CB LYS A 71 0.545 5.053 -5.464 1.00 0.00 C ATOM 1139 CG LYS A 71 1.302 3.762 -5.110 1.00 0.00 C ATOM 1140 CD LYS A 71 0.373 2.569 -4.794 1.00 0.00 C ATOM 1141 CE LYS A 71 -0.651 2.273 -5.916 1.00 0.00 C ATOM 1142 NZ LYS A 71 -0.037 2.115 -7.262 1.00 0.00 N ATOM 0 H LYS A 71 2.020 6.183 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.562 6.716 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.314 4.778 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.199 5.662 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.955 3.494 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.943 3.951 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.981 1.680 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.163 2.771 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.197 1.363 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.380 3.082 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.730 1.691 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.252 3.046 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.796 1.497 -7.193 1.00 0.00 H new ATOM 1156 N ILE A 72 -0.383 4.676 -2.266 1.00 0.00 N ATOM 1157 CA ILE A 72 -1.227 4.013 -1.298 1.00 0.00 C ATOM 1158 C ILE A 72 -2.108 5.069 -0.591 1.00 0.00 C ATOM 1159 O ILE A 72 -3.280 4.843 -0.348 1.00 0.00 O ATOM 1160 CB ILE A 72 -0.407 3.135 -0.280 1.00 0.00 C ATOM 1161 CG1 ILE A 72 -1.311 2.272 0.532 1.00 0.00 C ATOM 1162 CG2 ILE A 72 0.442 3.941 0.641 1.00 0.00 C ATOM 1163 CD1 ILE A 72 -0.624 1.541 1.668 1.00 0.00 C ATOM 0 H ILE A 72 0.613 4.673 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.873 3.308 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 72 0.253 2.520 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.110 2.889 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.780 1.539 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.980 3.275 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.157 4.524 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.189 4.614 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.354 0.937 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.156 0.894 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.179 2.265 2.350 1.00 0.00 H new ATOM 1175 N TYR A 73 -1.520 6.241 -0.353 1.00 0.00 N ATOM 1176 CA TYR A 73 -2.188 7.417 0.216 1.00 0.00 C ATOM 1177 C TYR A 73 -3.436 7.776 -0.583 1.00 0.00 C ATOM 1178 O TYR A 73 -4.559 7.849 -0.025 1.00 0.00 O ATOM 1179 CB TYR A 73 -1.153 8.579 0.198 1.00 0.00 C ATOM 1180 CG TYR A 73 -1.656 10.002 0.296 1.00 0.00 C ATOM 1181 CD1 TYR A 73 -2.082 10.673 -0.836 1.00 0.00 C ATOM 1182 CD2 TYR A 73 -1.661 10.680 1.486 1.00 0.00 C ATOM 1183 CE1 TYR A 73 -2.507 11.968 -0.777 1.00 0.00 C ATOM 1184 CE2 TYR A 73 -2.088 11.984 1.557 1.00 0.00 C ATOM 1185 CZ TYR A 73 -2.508 12.619 0.415 1.00 0.00 C ATOM 1186 OH TYR A 73 -2.973 13.911 0.472 1.00 0.00 O ATOM 0 H TYR A 73 -0.534 6.406 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.521 7.218 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.459 8.416 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.578 8.495 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.078 10.161 -1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.324 10.182 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.840 12.472 -1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.093 12.505 2.503 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.471 14.116 -0.347 1.00 0.00 H new ATOM 1196 N LYS A 74 -3.254 7.952 -1.884 1.00 0.00 N ATOM 1197 CA LYS A 74 -4.339 8.375 -2.741 1.00 0.00 C ATOM 1198 C LYS A 74 -5.383 7.292 -2.875 1.00 0.00 C ATOM 1199 O LYS A 74 -6.554 7.587 -2.973 1.00 0.00 O ATOM 1200 CB LYS A 74 -3.833 8.837 -4.102 1.00 0.00 C ATOM 1201 CG LYS A 74 -3.227 7.747 -4.959 1.00 0.00 C ATOM 1202 CD LYS A 74 -2.598 8.256 -6.268 1.00 0.00 C ATOM 1203 CE LYS A 74 -1.433 9.242 -6.059 1.00 0.00 C ATOM 1204 NZ LYS A 74 -1.873 10.636 -5.772 1.00 0.00 N ATOM 0 H LYS A 74 -2.365 7.807 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.815 9.234 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.661 9.290 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.087 9.617 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.464 7.226 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.999 7.016 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.240 7.402 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.369 8.742 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.813 8.889 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.806 9.244 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.409 11.290 -6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.905 10.704 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.613 10.888 -4.797 1.00 0.00 H new ATOM 1218 N ILE A 75 -4.950 6.037 -2.828 1.00 0.00 N ATOM 1219 CA ILE A 75 -5.854 4.920 -2.909 1.00 0.00 C ATOM 1220 C ILE A 75 -6.788 4.916 -1.704 1.00 0.00 C ATOM 1221 O ILE A 75 -8.012 4.782 -1.852 1.00 0.00 O ATOM 1222 CB ILE A 75 -5.072 3.554 -3.058 1.00 0.00 C ATOM 1223 CG1 ILE A 75 -4.938 3.121 -4.530 1.00 0.00 C ATOM 1224 CG2 ILE A 75 -5.696 2.431 -2.247 1.00 0.00 C ATOM 1225 CD1 ILE A 75 -4.286 4.123 -5.462 1.00 0.00 C ATOM 0 H ILE A 75 -3.968 5.777 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.463 5.028 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.076 3.744 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.363 2.195 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.933 2.893 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.119 1.517 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.697 2.702 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.721 2.267 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.246 3.710 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.868 5.044 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.274 4.336 -5.117 1.00 0.00 H new ATOM 1237 N GLN A 76 -6.210 5.160 -0.530 1.00 0.00 N ATOM 1238 CA GLN A 76 -6.961 5.125 0.705 1.00 0.00 C ATOM 1239 C GLN A 76 -8.019 6.178 0.715 1.00 0.00 C ATOM 1240 O GLN A 76 -9.207 5.891 0.939 1.00 0.00 O ATOM 1241 CB GLN A 76 -6.062 5.308 1.917 1.00 0.00 C ATOM 1242 CG GLN A 76 -5.001 4.269 2.028 1.00 0.00 C ATOM 1243 CD GLN A 76 -4.336 4.246 3.384 1.00 0.00 C ATOM 1244 OE1 GLN A 76 -4.939 4.594 4.390 1.00 0.00 O ATOM 1245 NE2 GLN A 76 -3.095 3.835 3.426 1.00 0.00 N ATOM 0 H GLN A 76 -5.221 5.384 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.426 4.141 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.594 6.291 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.673 5.291 2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.436 3.290 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.246 4.446 1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.622 3.552 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.600 3.797 4.317 1.00 0.00 H new ATOM 1254 N LYS A 77 -7.622 7.395 0.431 1.00 0.00 N ATOM 1255 CA LYS A 77 -8.552 8.443 0.479 1.00 0.00 C ATOM 1256 C LYS A 77 -9.542 8.405 -0.665 1.00 0.00 C ATOM 1257 O LYS A 77 -10.649 8.852 -0.496 1.00 0.00 O ATOM 1258 CB LYS A 77 -7.861 9.750 0.616 1.00 0.00 C ATOM 1259 CG LYS A 77 -6.822 10.018 -0.439 1.00 0.00 C ATOM 1260 CD LYS A 77 -6.230 11.387 -0.248 1.00 0.00 C ATOM 1261 CE LYS A 77 -5.755 11.637 1.188 1.00 0.00 C ATOM 1262 NZ LYS A 77 -5.423 13.059 1.444 1.00 0.00 N ATOM 0 H LYS A 77 -6.672 7.659 0.171 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.160 8.305 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.605 10.546 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.386 9.795 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.037 9.264 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.271 9.943 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.389 11.512 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.972 12.139 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.532 11.319 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.877 11.022 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.650 13.296 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.409 13.214 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.977 13.665 0.806 1.00 0.00 H new ATOM 1276 N GLU A 78 -9.149 7.838 -1.815 1.00 0.00 N ATOM 1277 CA GLU A 78 -10.055 7.712 -2.956 1.00 0.00 C ATOM 1278 C GLU A 78 -11.245 6.870 -2.565 1.00 0.00 C ATOM 1279 O GLU A 78 -12.380 7.323 -2.673 1.00 0.00 O ATOM 1280 CB GLU A 78 -9.342 7.086 -4.168 1.00 0.00 C ATOM 1281 CG GLU A 78 -10.168 7.041 -5.458 1.00 0.00 C ATOM 1282 CD GLU A 78 -10.692 8.384 -5.910 1.00 0.00 C ATOM 1283 OE1 GLU A 78 -9.956 9.394 -5.835 1.00 0.00 O ATOM 1284 OE2 GLU A 78 -11.817 8.437 -6.432 1.00 0.00 O ATOM 0 H GLU A 78 -8.214 7.463 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.389 8.709 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.427 7.646 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.045 6.070 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.555 6.617 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.011 6.366 -5.312 1.00 0.00 H new ATOM 1291 N LEU A 79 -10.985 5.679 -2.029 1.00 0.00 N ATOM 1292 CA LEU A 79 -12.074 4.790 -1.646 1.00 0.00 C ATOM 1293 C LEU A 79 -12.902 5.363 -0.514 1.00 0.00 C ATOM 1294 O LEU A 79 -14.124 5.221 -0.494 1.00 0.00 O ATOM 1295 CB LEU A 79 -11.587 3.359 -1.374 1.00 0.00 C ATOM 1296 CG LEU A 79 -10.496 3.160 -0.327 1.00 0.00 C ATOM 1297 CD1 LEU A 79 -11.069 2.977 1.069 1.00 0.00 C ATOM 1298 CD2 LEU A 79 -9.620 2.002 -0.719 1.00 0.00 C ATOM 0 H LEU A 79 -10.049 5.315 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.745 4.717 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.450 2.764 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.226 2.945 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.889 4.065 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.255 2.839 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.646 3.860 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.717 2.101 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.842 1.864 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.223 1.097 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.159 2.205 -1.686 1.00 0.00 H new ATOM 1310 N GLU A 80 -12.253 6.051 0.395 1.00 0.00 N ATOM 1311 CA GLU A 80 -12.953 6.683 1.483 1.00 0.00 C ATOM 1312 C GLU A 80 -13.828 7.859 1.015 1.00 0.00 C ATOM 1313 O GLU A 80 -14.997 7.960 1.404 1.00 0.00 O ATOM 1314 CB GLU A 80 -11.992 7.094 2.588 1.00 0.00 C ATOM 1315 CG GLU A 80 -11.462 5.921 3.396 1.00 0.00 C ATOM 1316 CD GLU A 80 -10.532 6.343 4.497 1.00 0.00 C ATOM 1317 OE1 GLU A 80 -10.887 7.259 5.272 1.00 0.00 O ATOM 1318 OE2 GLU A 80 -9.447 5.738 4.648 1.00 0.00 O ATOM 0 H GLU A 80 -11.242 6.186 0.401 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.636 5.942 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.152 7.631 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.498 7.789 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.301 5.374 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.940 5.234 2.730 1.00 0.00 H new ATOM 1325 N GLU A 81 -13.301 8.711 0.147 1.00 0.00 N ATOM 1326 CA GLU A 81 -14.050 9.878 -0.310 1.00 0.00 C ATOM 1327 C GLU A 81 -15.196 9.479 -1.237 1.00 0.00 C ATOM 1328 O GLU A 81 -16.258 10.124 -1.237 1.00 0.00 O ATOM 1329 CB GLU A 81 -13.154 10.934 -0.987 1.00 0.00 C ATOM 1330 CG GLU A 81 -12.486 10.481 -2.277 1.00 0.00 C ATOM 1331 CD GLU A 81 -11.742 11.582 -2.958 1.00 0.00 C ATOM 1332 OE1 GLU A 81 -12.351 12.299 -3.771 1.00 0.00 O ATOM 1333 OE2 GLU A 81 -10.543 11.804 -2.683 1.00 0.00 O ATOM 0 H GLU A 81 -12.367 8.620 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.470 10.337 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.756 11.817 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.380 11.237 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.798 9.664 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.243 10.087 -2.954 1.00 0.00 H new ATOM 1340 N LYS A 82 -14.987 8.444 -2.038 1.00 0.00 N ATOM 1341 CA LYS A 82 -16.027 7.969 -2.925 1.00 0.00 C ATOM 1342 C LYS A 82 -17.112 7.210 -2.156 1.00 0.00 C ATOM 1343 O LYS A 82 -18.290 7.274 -2.510 1.00 0.00 O ATOM 1344 CB LYS A 82 -15.445 7.193 -4.142 1.00 0.00 C ATOM 1345 CG LYS A 82 -14.702 5.896 -3.833 1.00 0.00 C ATOM 1346 CD LYS A 82 -15.613 4.683 -3.635 1.00 0.00 C ATOM 1347 CE LYS A 82 -16.282 4.187 -4.920 1.00 0.00 C ATOM 1348 NZ LYS A 82 -17.309 5.110 -5.490 1.00 0.00 N ATOM 0 H LYS A 82 -14.111 7.923 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.527 8.835 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.265 6.962 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.765 7.857 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.008 5.686 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.105 6.038 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.029 3.870 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.386 4.937 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.511 4.016 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.751 3.224 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.014 4.560 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -17.780 5.625 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.849 5.789 -6.129 1.00 0.00 H new ATOM 1362 N ARG A 83 -16.717 6.521 -1.079 1.00 0.00 N ATOM 1363 CA ARG A 83 -17.684 5.822 -0.237 1.00 0.00 C ATOM 1364 C ARG A 83 -18.515 6.838 0.526 1.00 0.00 C ATOM 1365 O ARG A 83 -19.720 6.677 0.681 1.00 0.00 O ATOM 1366 CB ARG A 83 -17.000 4.865 0.734 1.00 0.00 C ATOM 1367 CG ARG A 83 -17.962 4.107 1.653 1.00 0.00 C ATOM 1368 CD ARG A 83 -18.844 3.151 0.875 1.00 0.00 C ATOM 1369 NE ARG A 83 -19.683 2.319 1.754 1.00 0.00 N ATOM 1370 CZ ARG A 83 -20.864 1.779 1.408 1.00 0.00 C ATOM 1371 NH1 ARG A 83 -21.445 2.100 0.261 1.00 0.00 N ATOM 1372 NH2 ARG A 83 -21.468 0.946 2.236 1.00 0.00 N ATOM 0 H ARG A 83 -15.747 6.435 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.329 5.226 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -16.416 4.143 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -16.298 5.429 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.392 3.552 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -18.585 4.819 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.483 3.719 0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.219 2.506 0.257 1.00 0.00 H new ATOM 0 HE ARG A 83 -19.341 2.139 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -20.996 2.764 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -22.341 1.684 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -21.038 0.716 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -22.365 0.533 1.980 1.00 0.00 H new ATOM 1386 N ARG A 84 -17.856 7.888 0.995 1.00 0.00 N ATOM 1387 CA ARG A 84 -18.534 9.013 1.638 1.00 0.00 C ATOM 1388 C ARG A 84 -19.457 9.651 0.631 1.00 0.00 C ATOM 1389 O ARG A 84 -20.541 10.149 0.972 1.00 0.00 O ATOM 1390 CB ARG A 84 -17.512 10.043 2.046 1.00 0.00 C ATOM 1391 CG ARG A 84 -18.089 11.277 2.712 1.00 0.00 C ATOM 1392 CD ARG A 84 -17.021 12.325 2.871 1.00 0.00 C ATOM 1393 NE ARG A 84 -15.860 11.811 3.615 1.00 0.00 N ATOM 1394 CZ ARG A 84 -14.582 12.177 3.408 1.00 0.00 C ATOM 1395 NH1 ARG A 84 -14.299 13.185 2.584 1.00 0.00 N ATOM 1396 NH2 ARG A 84 -13.597 11.561 4.048 1.00 0.00 N ATOM 0 H ARG A 84 -16.842 7.988 0.943 1.00 0.00 H new ATOM 0 HA ARG A 84 -19.086 8.662 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -16.799 9.578 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -16.953 10.351 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.911 11.672 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.501 11.015 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.700 12.669 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.434 13.189 3.392 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.038 11.122 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.052 13.682 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.329 13.460 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.807 10.806 4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.630 11.842 3.887 1.00 0.00 H new ATOM 1410 N SER A 85 -18.970 9.640 -0.603 1.00 0.00 N ATOM 1411 CA SER A 85 -19.640 10.132 -1.754 1.00 0.00 C ATOM 1412 C SER A 85 -19.581 11.640 -1.825 1.00 0.00 C ATOM 1413 O SER A 85 -20.533 12.335 -1.499 1.00 0.00 O ATOM 1414 CB SER A 85 -21.061 9.591 -1.847 1.00 0.00 C ATOM 1415 OG SER A 85 -21.066 8.158 -1.948 1.00 0.00 O ATOM 0 H SER A 85 -18.047 9.263 -0.817 1.00 0.00 H new ATOM 0 HA SER A 85 -19.112 9.761 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 85 -21.628 9.898 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.561 10.021 -2.715 1.00 0.00 H new ATOM 0 HG SER A 85 -20.158 7.840 -2.135 1.00 0.00 H new ATOM 1421 N ARG A 86 -18.413 12.155 -2.156 1.00 0.00 N ATOM 1422 CA ARG A 86 -18.287 13.589 -2.326 1.00 0.00 C ATOM 1423 C ARG A 86 -18.284 13.941 -3.798 1.00 0.00 C ATOM 1424 O ARG A 86 -18.349 15.110 -4.177 1.00 0.00 O ATOM 1425 CB ARG A 86 -17.057 14.163 -1.626 1.00 0.00 C ATOM 1426 CG ARG A 86 -15.713 13.731 -2.185 1.00 0.00 C ATOM 1427 CD ARG A 86 -14.616 14.614 -1.597 1.00 0.00 C ATOM 1428 NE ARG A 86 -13.269 14.280 -2.062 1.00 0.00 N ATOM 1429 CZ ARG A 86 -12.163 14.999 -1.782 1.00 0.00 C ATOM 1430 NH1 ARG A 86 -12.265 16.186 -1.188 1.00 0.00 N ATOM 1431 NH2 ARG A 86 -10.971 14.545 -2.134 1.00 0.00 N ATOM 0 H ARG A 86 -17.559 11.619 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.153 14.047 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.114 15.251 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -17.098 13.882 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.524 12.685 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.716 13.810 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.828 15.654 -1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.644 14.535 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.159 13.445 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.183 16.556 -0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.425 16.725 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.888 13.651 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.135 15.089 -1.922 1.00 0.00 H new ATOM 1445 N LEU A 87 -18.174 12.924 -4.607 1.00 0.00 N ATOM 1446 CA LEU A 87 -18.219 13.062 -6.057 1.00 0.00 C ATOM 1447 C LEU A 87 -19.660 13.229 -6.532 1.00 0.00 C ATOM 1448 O LEU A 87 -20.616 13.047 -5.746 1.00 0.00 O ATOM 1449 CB LEU A 87 -17.566 11.846 -6.768 1.00 0.00 C ATOM 1450 CG LEU A 87 -16.036 11.661 -6.637 1.00 0.00 C ATOM 1451 CD1 LEU A 87 -15.292 12.912 -7.068 1.00 0.00 C ATOM 1452 CD2 LEU A 87 -15.616 11.217 -5.237 1.00 0.00 C ATOM 0 H LEU A 87 -18.049 11.963 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.648 13.953 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -18.045 10.942 -6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -17.804 11.913 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.759 10.853 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.219 12.751 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.527 13.135 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.595 13.750 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.533 11.102 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.926 11.967 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.090 10.264 -5.000 1.00 0.00 H new TER 1464 LEU A 87 ATOM 1465 N GLY B 101 7.431 25.296 -7.933 1.00 0.00 N ATOM 1466 CA GLY B 101 7.513 25.412 -6.488 1.00 0.00 C ATOM 1467 C GLY B 101 7.145 24.112 -5.810 1.00 0.00 C ATOM 1468 O GLY B 101 7.498 23.870 -4.649 1.00 0.00 O ATOM 0 HA2 GLY B 101 8.524 25.700 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY B 101 6.847 26.204 -6.146 1.00 0.00 H new ATOM 1472 N SER B 102 6.446 23.280 -6.534 1.00 0.00 N ATOM 1473 CA SER B 102 6.018 21.999 -6.046 1.00 0.00 C ATOM 1474 C SER B 102 7.182 20.998 -6.082 1.00 0.00 C ATOM 1475 O SER B 102 7.525 20.446 -7.145 1.00 0.00 O ATOM 1476 CB SER B 102 4.848 21.501 -6.897 1.00 0.00 C ATOM 1477 OG SER B 102 3.823 22.490 -6.966 1.00 0.00 O ATOM 0 H SER B 102 6.155 23.476 -7.492 1.00 0.00 H new ATOM 0 HA SER B 102 5.690 22.095 -5.011 1.00 0.00 H new ATOM 0 HB2 SER B 102 5.198 21.261 -7.901 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.446 20.582 -6.471 1.00 0.00 H new ATOM 0 HG SER B 102 3.083 22.156 -7.515 1.00 0.00 H new ATOM 1483 N MET B 103 7.834 20.829 -4.953 1.00 0.00 N ATOM 1484 CA MET B 103 8.926 19.879 -4.841 1.00 0.00 C ATOM 1485 C MET B 103 8.472 18.711 -4.004 1.00 0.00 C ATOM 1486 O MET B 103 8.316 17.599 -4.501 1.00 0.00 O ATOM 1487 CB MET B 103 10.174 20.511 -4.201 1.00 0.00 C ATOM 1488 CG MET B 103 11.349 19.535 -4.055 1.00 0.00 C ATOM 1489 SD MET B 103 12.748 20.218 -3.140 1.00 0.00 S ATOM 1490 CE MET B 103 12.021 20.458 -1.510 1.00 0.00 C ATOM 0 H MET B 103 7.628 21.338 -4.094 1.00 0.00 H new ATOM 0 HA MET B 103 9.198 19.553 -5.845 1.00 0.00 H new ATOM 0 HB2 MET B 103 10.491 21.361 -4.805 1.00 0.00 H new ATOM 0 HB3 MET B 103 9.911 20.900 -3.217 1.00 0.00 H new ATOM 0 HG2 MET B 103 11.001 18.634 -3.550 1.00 0.00 H new ATOM 0 HG3 MET B 103 11.686 19.235 -5.047 1.00 0.00 H new ATOM 0 HE1 MET B 103 12.813 20.529 -0.765 1.00 0.00 H new ATOM 0 HE2 MET B 103 11.435 21.377 -1.505 1.00 0.00 H new ATOM 0 HE3 MET B 103 11.374 19.614 -1.272 1.00 0.00 H new ATOM 1500 N SER B 104 8.238 18.974 -2.747 1.00 0.00 N ATOM 1501 CA SER B 104 7.806 17.974 -1.831 1.00 0.00 C ATOM 1502 C SER B 104 6.307 18.098 -1.553 1.00 0.00 C ATOM 1503 O SER B 104 5.709 19.181 -1.727 1.00 0.00 O ATOM 1504 CB SER B 104 8.634 18.074 -0.554 1.00 0.00 C ATOM 1505 OG SER B 104 8.716 19.428 -0.111 1.00 0.00 O ATOM 0 H SER B 104 8.345 19.900 -2.334 1.00 0.00 H new ATOM 0 HA SER B 104 7.961 16.987 -2.267 1.00 0.00 H new ATOM 0 HB2 SER B 104 8.186 17.458 0.225 1.00 0.00 H new ATOM 0 HB3 SER B 104 9.636 17.683 -0.733 1.00 0.00 H new ATOM 0 HG SER B 104 7.947 19.632 0.460 1.00 0.00 H new ATOM 1511 N HIS B 105 5.709 17.005 -1.178 1.00 0.00 N ATOM 1512 CA HIS B 105 4.303 16.941 -0.879 1.00 0.00 C ATOM 1513 C HIS B 105 4.123 16.846 0.636 1.00 0.00 C ATOM 1514 O HIS B 105 4.974 16.281 1.344 1.00 0.00 O ATOM 1515 CB HIS B 105 3.680 15.719 -1.613 1.00 0.00 C ATOM 1516 CG HIS B 105 2.184 15.540 -1.470 1.00 0.00 C ATOM 1517 ND1 HIS B 105 1.559 14.313 -1.376 1.00 0.00 N ATOM 1518 CD2 HIS B 105 1.189 16.461 -1.434 1.00 0.00 C ATOM 1519 CE1 HIS B 105 0.250 14.518 -1.280 1.00 0.00 C ATOM 1520 NE2 HIS B 105 -0.038 15.811 -1.309 1.00 0.00 N ATOM 0 H HIS B 105 6.192 16.114 -1.068 1.00 0.00 H new ATOM 0 HA HIS B 105 3.790 17.838 -1.227 1.00 0.00 H new ATOM 0 HB2 HIS B 105 3.914 15.802 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS B 105 4.169 14.816 -1.248 1.00 0.00 H new ATOM 0 HD1 HIS B 105 2.023 13.405 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS B 105 1.326 17.531 -1.493 1.00 0.00 H new ATOM 0 HE1 HIS B 105 -0.485 13.732 -1.190 1.00 0.00 H new ATOM 1528 N TYR B 106 3.076 17.453 1.129 1.00 0.00 N ATOM 1529 CA TYR B 106 2.739 17.426 2.524 1.00 0.00 C ATOM 1530 C TYR B 106 1.321 16.908 2.679 1.00 0.00 C ATOM 1531 O TYR B 106 0.418 17.314 1.945 1.00 0.00 O ATOM 1532 CB TYR B 106 2.913 18.815 3.165 1.00 0.00 C ATOM 1533 CG TYR B 106 4.348 19.324 3.114 1.00 0.00 C ATOM 1534 CD1 TYR B 106 5.275 18.949 4.081 1.00 0.00 C ATOM 1535 CD2 TYR B 106 4.777 20.163 2.087 1.00 0.00 C ATOM 1536 CE1 TYR B 106 6.585 19.398 4.030 1.00 0.00 C ATOM 1537 CE2 TYR B 106 6.084 20.610 2.028 1.00 0.00 C ATOM 1538 CZ TYR B 106 6.984 20.227 3.002 1.00 0.00 C ATOM 1539 OH TYR B 106 8.291 20.671 2.943 1.00 0.00 O ATOM 0 H TYR B 106 2.422 17.990 0.559 1.00 0.00 H new ATOM 0 HA TYR B 106 3.418 16.755 3.049 1.00 0.00 H new ATOM 0 HB2 TYR B 106 2.263 19.527 2.656 1.00 0.00 H new ATOM 0 HB3 TYR B 106 2.586 18.772 4.204 1.00 0.00 H new ATOM 0 HD1 TYR B 106 4.968 18.297 4.885 1.00 0.00 H new ATOM 0 HD2 TYR B 106 4.076 20.469 1.324 1.00 0.00 H new ATOM 0 HE1 TYR B 106 7.290 19.100 4.792 1.00 0.00 H new ATOM 0 HE2 TYR B 106 6.400 21.257 1.223 1.00 0.00 H new ATOM 0 HH TYR B 106 8.406 21.245 2.157 1.00 0.00 H new ATOM 1549 N GLY B 107 1.150 15.999 3.595 1.00 0.00 N ATOM 1550 CA GLY B 107 -0.113 15.343 3.808 1.00 0.00 C ATOM 1551 C GLY B 107 0.075 13.851 3.764 1.00 0.00 C ATOM 1552 O GLY B 107 -0.651 13.079 4.375 1.00 0.00 O ATOM 0 H GLY B 107 1.890 15.687 4.223 1.00 0.00 H new ATOM 0 HA2 GLY B 107 -0.529 15.638 4.771 1.00 0.00 H new ATOM 0 HA3 GLY B 107 -0.827 15.652 3.044 1.00 0.00 H new ATOM 1556 N ASN B 108 1.098 13.470 3.066 1.00 0.00 N ATOM 1557 CA ASN B 108 1.422 12.085 2.778 1.00 0.00 C ATOM 1558 C ASN B 108 2.265 11.425 3.831 1.00 0.00 C ATOM 1559 O ASN B 108 2.265 10.202 3.970 1.00 0.00 O ATOM 1560 CB ASN B 108 2.035 11.967 1.385 1.00 0.00 C ATOM 1561 CG ASN B 108 3.274 12.842 1.197 1.00 0.00 C ATOM 1562 OD1 ASN B 108 3.444 13.872 1.854 1.00 0.00 O ATOM 1563 ND2 ASN B 108 4.074 12.499 0.264 1.00 0.00 N ATOM 0 H ASN B 108 1.762 14.129 2.661 1.00 0.00 H new ATOM 0 HA ASN B 108 0.484 11.530 2.794 1.00 0.00 H new ATOM 0 HB2 ASN B 108 2.301 10.926 1.199 1.00 0.00 H new ATOM 0 HB3 ASN B 108 1.287 12.242 0.641 1.00 0.00 H new ATOM 0 HD21 ASN B 108 4.881 13.083 0.044 1.00 0.00 H new ATOM 0 HD22 ASN B 108 3.907 11.641 -0.262 1.00 0.00 H new ATOM 1570 N GLN B 109 2.897 12.209 4.612 1.00 0.00 N ATOM 1571 CA GLN B 109 3.780 11.705 5.647 1.00 0.00 C ATOM 1572 C GLN B 109 3.065 11.171 6.852 1.00 0.00 C ATOM 1573 O GLN B 109 3.666 10.516 7.678 1.00 0.00 O ATOM 1574 CB GLN B 109 5.033 12.572 5.979 1.00 0.00 C ATOM 1575 CG GLN B 109 4.842 14.060 6.280 1.00 0.00 C ATOM 1576 CD GLN B 109 4.124 14.759 5.171 1.00 0.00 C ATOM 1577 OE1 GLN B 109 2.922 14.936 5.231 1.00 0.00 O ATOM 1578 NE2 GLN B 109 4.797 14.988 4.095 1.00 0.00 N ATOM 0 H GLN B 109 2.833 13.226 4.572 1.00 0.00 H new ATOM 0 HA GLN B 109 4.228 10.836 5.165 1.00 0.00 H new ATOM 0 HB2 GLN B 109 5.527 12.122 6.840 1.00 0.00 H new ATOM 0 HB3 GLN B 109 5.722 12.491 5.138 1.00 0.00 H new ATOM 0 HG2 GLN B 109 4.280 14.175 7.207 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.814 14.528 6.436 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.804 14.829 4.080 1.00 0.00 H new ATOM 0 HE22 GLN B 109 4.322 15.329 3.259 1.00 0.00 H new ATOM 1587 N THR B 110 1.784 11.432 6.939 1.00 0.00 N ATOM 1588 CA THR B 110 0.948 10.830 7.941 1.00 0.00 C ATOM 1589 C THR B 110 0.803 9.331 7.593 1.00 0.00 C ATOM 1590 O THR B 110 0.922 8.443 8.445 1.00 0.00 O ATOM 1591 CB THR B 110 -0.416 11.510 7.885 1.00 0.00 C ATOM 1592 OG1 THR B 110 -0.200 12.925 7.815 1.00 0.00 O ATOM 1593 CG2 THR B 110 -1.237 11.184 9.117 1.00 0.00 C ATOM 0 H THR B 110 1.293 12.071 6.313 1.00 0.00 H new ATOM 0 HA THR B 110 1.371 10.939 8.940 1.00 0.00 H new ATOM 0 HB THR B 110 -0.965 11.154 7.013 1.00 0.00 H new ATOM 0 HG1 THR B 110 -1.064 13.386 7.776 1.00 0.00 H new ATOM 0 HG21 THR B 110 -2.205 11.681 9.051 1.00 0.00 H new ATOM 0 HG22 THR B 110 -1.387 10.106 9.180 1.00 0.00 H new ATOM 0 HG23 THR B 110 -0.711 11.530 10.007 1.00 0.00 H new ATOM 1601 N LEU B 111 0.628 9.079 6.305 1.00 0.00 N ATOM 1602 CA LEU B 111 0.525 7.734 5.768 1.00 0.00 C ATOM 1603 C LEU B 111 1.887 7.065 5.855 1.00 0.00 C ATOM 1604 O LEU B 111 2.005 5.881 6.203 1.00 0.00 O ATOM 1605 CB LEU B 111 0.031 7.771 4.302 1.00 0.00 C ATOM 1606 CG LEU B 111 -1.478 8.038 4.037 1.00 0.00 C ATOM 1607 CD1 LEU B 111 -2.311 6.892 4.535 1.00 0.00 C ATOM 1608 CD2 LEU B 111 -1.974 9.344 4.659 1.00 0.00 C ATOM 0 H LEU B 111 0.553 9.810 5.598 1.00 0.00 H new ATOM 0 HA LEU B 111 -0.199 7.164 6.350 1.00 0.00 H new ATOM 0 HB2 LEU B 111 0.601 8.539 3.779 1.00 0.00 H new ATOM 0 HB3 LEU B 111 0.285 6.816 3.842 1.00 0.00 H new ATOM 0 HG LEU B 111 -1.586 8.134 2.957 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -3.364 7.096 4.341 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -2.018 5.978 4.019 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -2.157 6.769 5.607 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -3.034 9.473 4.439 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -1.829 9.311 5.739 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -1.413 10.181 4.244 1.00 0.00 H new ATOM 1620 N GLN B 112 2.920 7.847 5.559 1.00 0.00 N ATOM 1621 CA GLN B 112 4.297 7.383 5.687 1.00 0.00 C ATOM 1622 C GLN B 112 4.613 7.026 7.131 1.00 0.00 C ATOM 1623 O GLN B 112 5.333 6.063 7.387 1.00 0.00 O ATOM 1624 CB GLN B 112 5.293 8.423 5.199 1.00 0.00 C ATOM 1625 CG GLN B 112 5.116 8.826 3.747 1.00 0.00 C ATOM 1626 CD GLN B 112 6.143 9.831 3.278 1.00 0.00 C ATOM 1627 OE1 GLN B 112 7.343 9.734 3.774 1.00 0.00 O flip ATOM 1628 NE2 GLN B 112 5.861 10.674 2.439 1.00 0.00 N flip ATOM 0 H GLN B 112 2.829 8.808 5.228 1.00 0.00 H new ATOM 0 HA GLN B 112 4.391 6.495 5.061 1.00 0.00 H new ATOM 0 HB2 GLN B 112 5.207 9.312 5.823 1.00 0.00 H new ATOM 0 HB3 GLN B 112 6.302 8.034 5.335 1.00 0.00 H new ATOM 0 HG2 GLN B 112 5.175 7.936 3.120 1.00 0.00 H new ATOM 0 HG3 GLN B 112 4.119 9.245 3.612 1.00 0.00 H new ATOM 0 HE21 GLN B 112 4.912 10.727 2.068 1.00 0.00 H new ATOM 0 HE22 GLN B 112 6.574 11.325 2.110 1.00 0.00 H new ATOM 1637 N ASP B 113 4.062 7.800 8.056 1.00 0.00 N ATOM 1638 CA ASP B 113 4.252 7.577 9.486 1.00 0.00 C ATOM 1639 C ASP B 113 3.698 6.233 9.868 1.00 0.00 C ATOM 1640 O ASP B 113 4.370 5.455 10.530 1.00 0.00 O ATOM 1641 CB ASP B 113 3.589 8.680 10.320 1.00 0.00 C ATOM 1642 CG ASP B 113 3.796 8.490 11.807 1.00 0.00 C ATOM 1643 OD1 ASP B 113 4.880 8.865 12.325 1.00 0.00 O ATOM 1644 OD2 ASP B 113 2.886 7.997 12.489 1.00 0.00 O ATOM 0 H ASP B 113 3.470 8.601 7.838 1.00 0.00 H new ATOM 0 HA ASP B 113 5.322 7.602 9.695 1.00 0.00 H new ATOM 0 HB2 ASP B 113 3.992 9.648 10.022 1.00 0.00 H new ATOM 0 HB3 ASP B 113 2.521 8.700 10.105 1.00 0.00 H new ATOM 1649 N LEU B 114 2.482 5.948 9.398 1.00 0.00 N ATOM 1650 CA LEU B 114 1.844 4.646 9.619 1.00 0.00 C ATOM 1651 C LEU B 114 2.762 3.520 9.129 1.00 0.00 C ATOM 1652 O LEU B 114 3.000 2.530 9.852 1.00 0.00 O ATOM 1653 CB LEU B 114 0.500 4.565 8.879 1.00 0.00 C ATOM 1654 CG LEU B 114 -0.560 5.605 9.257 1.00 0.00 C ATOM 1655 CD1 LEU B 114 -1.807 5.422 8.407 1.00 0.00 C ATOM 1656 CD2 LEU B 114 -0.911 5.508 10.733 1.00 0.00 C ATOM 0 H LEU B 114 1.916 6.604 8.859 1.00 0.00 H new ATOM 0 HA LEU B 114 1.665 4.533 10.688 1.00 0.00 H new ATOM 0 HB2 LEU B 114 0.695 4.651 7.810 1.00 0.00 H new ATOM 0 HB3 LEU B 114 0.079 3.574 9.047 1.00 0.00 H new ATOM 0 HG LEU B 114 -0.147 6.596 9.067 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -2.551 6.168 8.687 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -1.551 5.542 7.354 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -2.215 4.424 8.569 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -1.665 6.256 10.978 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -1.302 4.514 10.949 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -0.017 5.684 11.332 1.00 0.00 H new ATOM 1668 N LEU B 115 3.298 3.700 7.906 1.00 0.00 N ATOM 1669 CA LEU B 115 4.216 2.740 7.286 1.00 0.00 C ATOM 1670 C LEU B 115 5.377 2.415 8.197 1.00 0.00 C ATOM 1671 O LEU B 115 5.538 1.278 8.629 1.00 0.00 O ATOM 1672 CB LEU B 115 4.822 3.283 5.985 1.00 0.00 C ATOM 1673 CG LEU B 115 3.919 3.497 4.764 1.00 0.00 C ATOM 1674 CD1 LEU B 115 4.738 4.070 3.641 1.00 0.00 C ATOM 1675 CD2 LEU B 115 3.303 2.200 4.299 1.00 0.00 C ATOM 0 H LEU B 115 3.104 4.516 7.325 1.00 0.00 H new ATOM 0 HA LEU B 115 3.615 1.852 7.087 1.00 0.00 H new ATOM 0 HB2 LEU B 115 5.290 4.240 6.217 1.00 0.00 H new ATOM 0 HB3 LEU B 115 5.619 2.602 5.687 1.00 0.00 H new ATOM 0 HG LEU B 115 3.118 4.179 5.050 1.00 0.00 H new ATOM 0 HD11 LEU B 115 4.102 4.225 2.769 1.00 0.00 H new ATOM 0 HD12 LEU B 115 5.166 5.023 3.952 1.00 0.00 H new ATOM 0 HD13 LEU B 115 5.541 3.378 3.386 1.00 0.00 H new ATOM 0 HD21 LEU B 115 2.669 2.388 3.432 1.00 0.00 H new ATOM 0 HD22 LEU B 115 4.092 1.500 4.026 1.00 0.00 H new ATOM 0 HD23 LEU B 115 2.702 1.774 5.102 1.00 0.00 H new ATOM 1687 N THR B 116 6.157 3.428 8.511 1.00 0.00 N ATOM 1688 CA THR B 116 7.399 3.266 9.237 1.00 0.00 C ATOM 1689 C THR B 116 7.152 2.845 10.697 1.00 0.00 C ATOM 1690 O THR B 116 7.979 2.162 11.309 1.00 0.00 O ATOM 1691 CB THR B 116 8.257 4.576 9.145 1.00 0.00 C ATOM 1692 OG1 THR B 116 9.606 4.356 9.567 1.00 0.00 O ATOM 1693 CG2 THR B 116 7.655 5.719 9.953 1.00 0.00 C ATOM 0 H THR B 116 5.945 4.395 8.267 1.00 0.00 H new ATOM 0 HA THR B 116 7.964 2.459 8.772 1.00 0.00 H new ATOM 0 HB THR B 116 8.256 4.860 8.093 1.00 0.00 H new ATOM 0 HG1 THR B 116 10.112 5.192 9.495 1.00 0.00 H new ATOM 0 HG21 THR B 116 8.285 6.603 9.858 1.00 0.00 H new ATOM 0 HG22 THR B 116 6.656 5.943 9.578 1.00 0.00 H new ATOM 0 HG23 THR B 116 7.593 5.430 11.002 1.00 0.00 H new ATOM 1701 N SER B 117 5.996 3.191 11.215 1.00 0.00 N ATOM 1702 CA SER B 117 5.678 2.891 12.587 1.00 0.00 C ATOM 1703 C SER B 117 5.442 1.396 12.763 1.00 0.00 C ATOM 1704 O SER B 117 6.083 0.746 13.610 1.00 0.00 O ATOM 1705 CB SER B 117 4.457 3.696 13.051 1.00 0.00 C ATOM 1706 OG SER B 117 4.230 3.544 14.445 1.00 0.00 O ATOM 0 H SER B 117 5.261 3.681 10.704 1.00 0.00 H new ATOM 0 HA SER B 117 6.526 3.179 13.208 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.606 4.751 12.819 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.575 3.370 12.500 1.00 0.00 H new ATOM 0 HG SER B 117 3.447 4.071 14.708 1.00 0.00 H new ATOM 1712 N ASP B 118 4.576 0.826 11.947 1.00 0.00 N ATOM 1713 CA ASP B 118 4.282 -0.585 12.108 1.00 0.00 C ATOM 1714 C ASP B 118 5.407 -1.457 11.576 1.00 0.00 C ATOM 1715 O ASP B 118 5.675 -2.528 12.120 1.00 0.00 O ATOM 1716 CB ASP B 118 2.964 -1.011 11.472 1.00 0.00 C ATOM 1717 CG ASP B 118 1.733 -0.387 12.048 1.00 0.00 C ATOM 1718 OD1 ASP B 118 1.437 -0.601 13.237 1.00 0.00 O ATOM 1719 OD2 ASP B 118 1.014 0.313 11.306 1.00 0.00 O ATOM 0 H ASP B 118 4.079 1.298 11.191 1.00 0.00 H new ATOM 0 HA ASP B 118 4.186 -0.731 13.184 1.00 0.00 H new ATOM 0 HB2 ASP B 118 3.003 -0.778 10.408 1.00 0.00 H new ATOM 0 HB3 ASP B 118 2.874 -2.094 11.558 1.00 0.00 H new ATOM 1724 N SER B 119 6.096 -0.998 10.547 1.00 0.00 N ATOM 1725 CA SER B 119 7.147 -1.802 9.962 1.00 0.00 C ATOM 1726 C SER B 119 8.354 -1.897 10.867 1.00 0.00 C ATOM 1727 O SER B 119 8.760 -2.980 11.244 1.00 0.00 O ATOM 1728 CB SER B 119 7.551 -1.265 8.589 1.00 0.00 C ATOM 1729 OG SER B 119 7.899 0.103 8.661 1.00 0.00 O ATOM 0 H SER B 119 5.949 -0.089 10.107 1.00 0.00 H new ATOM 0 HA SER B 119 6.746 -2.808 9.837 1.00 0.00 H new ATOM 0 HB2 SER B 119 8.394 -1.838 8.204 1.00 0.00 H new ATOM 0 HB3 SER B 119 6.728 -1.398 7.886 1.00 0.00 H new ATOM 0 HG SER B 119 7.169 0.646 8.296 1.00 0.00 H new ATOM 1735 N LEU B 120 8.886 -0.776 11.269 1.00 0.00 N ATOM 1736 CA LEU B 120 10.095 -0.769 12.040 1.00 0.00 C ATOM 1737 C LEU B 120 9.856 -1.055 13.526 1.00 0.00 C ATOM 1738 O LEU B 120 10.448 -1.992 14.075 1.00 0.00 O ATOM 1739 CB LEU B 120 10.879 0.528 11.799 1.00 0.00 C ATOM 1740 CG LEU B 120 11.395 0.742 10.350 1.00 0.00 C ATOM 1741 CD1 LEU B 120 12.034 2.110 10.210 1.00 0.00 C ATOM 1742 CD2 LEU B 120 12.409 -0.340 9.981 1.00 0.00 C ATOM 0 H LEU B 120 8.498 0.147 11.074 1.00 0.00 H new ATOM 0 HA LEU B 120 10.713 -1.596 11.692 1.00 0.00 H new ATOM 0 HB2 LEU B 120 10.242 1.371 12.067 1.00 0.00 H new ATOM 0 HB3 LEU B 120 11.733 0.546 12.476 1.00 0.00 H new ATOM 0 HG LEU B 120 10.544 0.678 9.672 1.00 0.00 H new ATOM 0 HD11 LEU B 120 12.390 2.243 9.188 1.00 0.00 H new ATOM 0 HD12 LEU B 120 11.298 2.881 10.441 1.00 0.00 H new ATOM 0 HD13 LEU B 120 12.874 2.192 10.900 1.00 0.00 H new ATOM 0 HD21 LEU B 120 12.761 -0.176 8.963 1.00 0.00 H new ATOM 0 HD22 LEU B 120 13.254 -0.297 10.669 1.00 0.00 H new ATOM 0 HD23 LEU B 120 11.936 -1.320 10.048 1.00 0.00 H new ATOM 1754 N SER B 121 8.955 -0.314 14.149 1.00 0.00 N ATOM 1755 CA SER B 121 8.706 -0.456 15.581 1.00 0.00 C ATOM 1756 C SER B 121 7.903 -1.737 15.909 1.00 0.00 C ATOM 1757 O SER B 121 8.279 -2.515 16.799 1.00 0.00 O ATOM 1758 CB SER B 121 7.983 0.782 16.095 1.00 0.00 C ATOM 1759 OG SER B 121 8.680 1.961 15.701 1.00 0.00 O ATOM 0 H SER B 121 8.382 0.393 13.689 1.00 0.00 H new ATOM 0 HA SER B 121 9.668 -0.552 16.085 1.00 0.00 H new ATOM 0 HB2 SER B 121 6.965 0.805 15.705 1.00 0.00 H new ATOM 0 HB3 SER B 121 7.907 0.742 17.182 1.00 0.00 H new ATOM 0 HG SER B 121 8.204 2.750 16.036 1.00 0.00 H new ATOM 1765 N HIS B 122 6.813 -1.971 15.187 1.00 0.00 N ATOM 1766 CA HIS B 122 5.995 -3.168 15.433 1.00 0.00 C ATOM 1767 C HIS B 122 6.558 -4.392 14.730 1.00 0.00 C ATOM 1768 O HIS B 122 6.041 -5.504 14.899 1.00 0.00 O ATOM 1769 CB HIS B 122 4.509 -2.972 15.052 1.00 0.00 C ATOM 1770 CG HIS B 122 3.750 -2.042 15.950 1.00 0.00 C ATOM 1771 ND1 HIS B 122 2.729 -1.206 15.532 1.00 0.00 N ATOM 1772 CD2 HIS B 122 3.830 -1.881 17.286 1.00 0.00 C ATOM 1773 CE1 HIS B 122 2.241 -0.588 16.601 1.00 0.00 C ATOM 1774 NE2 HIS B 122 2.874 -0.964 17.698 1.00 0.00 N ATOM 0 H HIS B 122 6.474 -1.365 14.439 1.00 0.00 H new ATOM 0 HA HIS B 122 6.037 -3.334 16.509 1.00 0.00 H new ATOM 0 HB2 HIS B 122 4.457 -2.593 14.031 1.00 0.00 H new ATOM 0 HB3 HIS B 122 4.015 -3.944 15.057 1.00 0.00 H new ATOM 0 HD1 HIS B 122 2.408 -1.086 14.571 1.00 0.00 H new ATOM 0 HD2 HIS B 122 4.530 -2.387 17.935 1.00 0.00 H new ATOM 0 HE1 HIS B 122 1.433 0.128 16.577 1.00 0.00 H new ATOM 1782 N SER B 123 7.634 -4.183 13.968 1.00 0.00 N ATOM 1783 CA SER B 123 8.328 -5.221 13.194 1.00 0.00 C ATOM 1784 C SER B 123 7.364 -5.988 12.274 1.00 0.00 C ATOM 1785 O SER B 123 7.423 -7.228 12.179 1.00 0.00 O ATOM 1786 CB SER B 123 9.160 -6.159 14.113 1.00 0.00 C ATOM 1787 OG SER B 123 8.361 -6.786 15.117 1.00 0.00 O ATOM 0 H SER B 123 8.060 -3.262 13.868 1.00 0.00 H new ATOM 0 HA SER B 123 9.041 -4.721 12.538 1.00 0.00 H new ATOM 0 HB2 SER B 123 9.642 -6.925 13.505 1.00 0.00 H new ATOM 0 HB3 SER B 123 9.954 -5.585 14.590 1.00 0.00 H new ATOM 0 HG SER B 123 7.413 -6.696 14.884 1.00 0.00 H new ATOM 1793 N ASP B 124 6.474 -5.225 11.619 1.00 0.00 N ATOM 1794 CA ASP B 124 5.467 -5.741 10.682 1.00 0.00 C ATOM 1795 C ASP B 124 4.399 -6.572 11.378 1.00 0.00 C ATOM 1796 O ASP B 124 3.296 -6.078 11.654 1.00 0.00 O ATOM 1797 CB ASP B 124 6.108 -6.483 9.480 1.00 0.00 C ATOM 1798 CG ASP B 124 5.109 -7.243 8.612 1.00 0.00 C ATOM 1799 OD1 ASP B 124 4.098 -6.672 8.205 1.00 0.00 O ATOM 1800 OD2 ASP B 124 5.335 -8.446 8.348 1.00 0.00 O ATOM 0 H ASP B 124 6.435 -4.212 11.729 1.00 0.00 H new ATOM 0 HA ASP B 124 4.955 -4.872 10.269 1.00 0.00 H new ATOM 0 HB2 ASP B 124 6.635 -5.759 8.859 1.00 0.00 H new ATOM 0 HB3 ASP B 124 6.854 -7.184 9.855 1.00 0.00 H new ATOM 1805 N GLY B 125 4.718 -7.809 11.677 1.00 0.00 N ATOM 1806 CA GLY B 125 3.789 -8.689 12.342 1.00 0.00 C ATOM 1807 C GLY B 125 2.807 -9.317 11.374 1.00 0.00 C ATOM 1808 O GLY B 125 2.663 -10.538 11.326 1.00 0.00 O ATOM 0 H GLY B 125 5.623 -8.231 11.468 1.00 0.00 H new ATOM 0 HA2 GLY B 125 4.341 -9.474 12.859 1.00 0.00 H new ATOM 0 HA3 GLY B 125 3.242 -8.131 13.102 1.00 0.00 H new ATOM 1812 N GLY B 126 2.140 -8.480 10.596 1.00 0.00 N ATOM 1813 CA GLY B 126 1.141 -8.943 9.653 1.00 0.00 C ATOM 1814 C GLY B 126 -0.126 -9.366 10.367 1.00 0.00 C ATOM 1815 O GLY B 126 -0.960 -10.075 9.816 1.00 0.00 O ATOM 0 H GLY B 126 2.276 -7.469 10.601 1.00 0.00 H new ATOM 0 HA2 GLY B 126 0.914 -8.150 8.940 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.537 -9.782 9.081 1.00 0.00 H new ATOM 1819 N GLY B 127 -0.274 -8.898 11.589 1.00 0.00 N ATOM 1820 CA GLY B 127 -1.390 -9.278 12.411 1.00 0.00 C ATOM 1821 C GLY B 127 -2.346 -8.140 12.619 1.00 0.00 C ATOM 1822 O GLY B 127 -3.085 -8.102 13.613 1.00 0.00 O ATOM 0 H GLY B 127 0.375 -8.248 12.033 1.00 0.00 H new ATOM 0 HA2 GLY B 127 -1.915 -10.113 11.947 1.00 0.00 H new ATOM 0 HA3 GLY B 127 -1.027 -9.628 13.377 1.00 0.00 H new ATOM 1826 N SER B 128 -2.328 -7.201 11.714 1.00 0.00 N ATOM 1827 CA SER B 128 -3.232 -6.092 11.775 1.00 0.00 C ATOM 1828 C SER B 128 -4.543 -6.511 11.113 1.00 0.00 C ATOM 1829 O SER B 128 -4.588 -6.718 9.909 1.00 0.00 O ATOM 1830 CB SER B 128 -2.618 -4.880 11.061 1.00 0.00 C ATOM 1831 OG SER B 128 -1.348 -4.535 11.630 1.00 0.00 O ATOM 0 H SER B 128 -1.689 -7.185 10.919 1.00 0.00 H new ATOM 0 HA SER B 128 -3.422 -5.807 12.810 1.00 0.00 H new ATOM 0 HB2 SER B 128 -2.497 -5.102 10.001 1.00 0.00 H new ATOM 0 HB3 SER B 128 -3.296 -4.029 11.134 1.00 0.00 H new ATOM 0 HG SER B 128 -0.977 -3.761 11.157 1.00 0.00 H new ATOM 1837 N GLY B 129 -5.581 -6.690 11.896 1.00 0.00 N ATOM 1838 CA GLY B 129 -6.834 -7.142 11.335 1.00 0.00 C ATOM 1839 C GLY B 129 -7.954 -6.185 11.618 1.00 0.00 C ATOM 1840 O GLY B 129 -9.131 -6.499 11.391 1.00 0.00 O ATOM 0 H GLY B 129 -5.586 -6.534 12.904 1.00 0.00 H new ATOM 0 HA2 GLY B 129 -6.725 -7.265 10.257 1.00 0.00 H new ATOM 0 HA3 GLY B 129 -7.082 -8.121 11.744 1.00 0.00 H new ATOM 1844 N GLY B 130 -7.603 -5.032 12.115 1.00 0.00 N ATOM 1845 CA GLY B 130 -8.581 -4.040 12.444 1.00 0.00 C ATOM 1846 C GLY B 130 -9.032 -3.302 11.229 1.00 0.00 C ATOM 1847 O GLY B 130 -8.210 -2.735 10.492 1.00 0.00 O ATOM 0 H GLY B 130 -6.639 -4.757 12.301 1.00 0.00 H new ATOM 0 HA2 GLY B 130 -9.437 -4.515 12.923 1.00 0.00 H new ATOM 0 HA3 GLY B 130 -8.162 -3.338 13.164 1.00 0.00 H new ATOM 1851 N GLY B 131 -10.306 -3.323 10.995 1.00 0.00 N ATOM 1852 CA GLY B 131 -10.859 -2.668 9.860 1.00 0.00 C ATOM 1853 C GLY B 131 -12.334 -2.911 9.774 1.00 0.00 C ATOM 1854 O GLY B 131 -12.826 -3.924 10.282 1.00 0.00 O ATOM 0 H GLY B 131 -10.989 -3.795 11.587 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -10.665 -1.597 9.922 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -10.373 -3.028 8.953 1.00 0.00 H new ATOM 1858 N SER B 132 -13.033 -1.969 9.213 1.00 0.00 N ATOM 1859 CA SER B 132 -14.452 -2.062 8.972 1.00 0.00 C ATOM 1860 C SER B 132 -14.844 -1.018 7.928 1.00 0.00 C ATOM 1861 O SER B 132 -15.345 -1.348 6.850 1.00 0.00 O ATOM 1862 CB SER B 132 -15.226 -1.889 10.291 1.00 0.00 C ATOM 1863 OG SER B 132 -14.720 -0.778 11.038 1.00 0.00 O ATOM 0 H SER B 132 -12.625 -1.088 8.900 1.00 0.00 H new ATOM 0 HA SER B 132 -14.709 -3.047 8.582 1.00 0.00 H new ATOM 0 HB2 SER B 132 -16.284 -1.738 10.079 1.00 0.00 H new ATOM 0 HB3 SER B 132 -15.147 -2.799 10.886 1.00 0.00 H new ATOM 0 HG SER B 132 -15.228 -0.686 11.871 1.00 0.00 H new ATOM 1869 N GLY B 133 -14.599 0.244 8.256 1.00 0.00 N ATOM 1870 CA GLY B 133 -14.799 1.335 7.328 1.00 0.00 C ATOM 1871 C GLY B 133 -16.254 1.715 7.140 1.00 0.00 C ATOM 1872 O GLY B 133 -16.688 2.794 7.569 1.00 0.00 O ATOM 0 H GLY B 133 -14.257 0.533 9.172 1.00 0.00 H new ATOM 0 HA2 GLY B 133 -14.248 2.206 7.681 1.00 0.00 H new ATOM 0 HA3 GLY B 133 -14.376 1.060 6.361 1.00 0.00 H new ATOM 1876 N GLY B 134 -16.998 0.841 6.520 1.00 0.00 N ATOM 1877 CA GLY B 134 -18.381 1.089 6.220 1.00 0.00 C ATOM 1878 C GLY B 134 -18.901 0.077 5.236 1.00 0.00 C ATOM 1879 O GLY B 134 -19.325 0.428 4.123 1.00 0.00 O ATOM 0 H GLY B 134 -16.660 -0.069 6.207 1.00 0.00 H new ATOM 0 HA2 GLY B 134 -18.970 1.049 7.136 1.00 0.00 H new ATOM 0 HA3 GLY B 134 -18.495 2.093 5.811 1.00 0.00 H new ATOM 1883 N GLY B 135 -18.837 -1.176 5.626 1.00 0.00 N ATOM 1884 CA GLY B 135 -19.261 -2.265 4.779 1.00 0.00 C ATOM 1885 C GLY B 135 -18.154 -2.674 3.848 1.00 0.00 C ATOM 1886 O GLY B 135 -17.393 -3.600 4.135 1.00 0.00 O ATOM 0 H GLY B 135 -18.489 -1.468 6.540 1.00 0.00 H new ATOM 0 HA2 GLY B 135 -19.560 -3.115 5.393 1.00 0.00 H new ATOM 0 HA3 GLY B 135 -20.136 -1.965 4.202 1.00 0.00 H new ATOM 1890 N SER B 136 -18.068 -1.968 2.764 1.00 0.00 N ATOM 1891 CA SER B 136 -17.072 -2.133 1.752 1.00 0.00 C ATOM 1892 C SER B 136 -16.965 -0.789 1.052 1.00 0.00 C ATOM 1893 O SER B 136 -17.992 -0.174 0.734 1.00 0.00 O ATOM 1894 CB SER B 136 -17.469 -3.274 0.809 1.00 0.00 C ATOM 1895 OG SER B 136 -18.846 -3.175 0.424 1.00 0.00 O ATOM 0 H SER B 136 -18.727 -1.220 2.550 1.00 0.00 H new ATOM 0 HA SER B 136 -16.100 -2.414 2.156 1.00 0.00 H new ATOM 0 HB2 SER B 136 -16.838 -3.251 -0.079 1.00 0.00 H new ATOM 0 HB3 SER B 136 -17.294 -4.232 1.299 1.00 0.00 H new ATOM 0 HG SER B 136 -19.131 -2.238 0.468 1.00 0.00 H new ATOM 1901 N LEU B 137 -15.776 -0.303 0.872 1.00 0.00 N ATOM 1902 CA LEU B 137 -15.585 1.054 0.414 1.00 0.00 C ATOM 1903 C LEU B 137 -15.146 1.129 -1.023 1.00 0.00 C ATOM 1904 O LEU B 137 -15.382 2.130 -1.690 1.00 0.00 O ATOM 1905 CB LEU B 137 -14.601 1.829 1.317 1.00 0.00 C ATOM 1906 CG LEU B 137 -15.029 2.080 2.786 1.00 0.00 C ATOM 1907 CD1 LEU B 137 -15.036 0.816 3.622 1.00 0.00 C ATOM 1908 CD2 LEU B 137 -14.178 3.157 3.423 1.00 0.00 C ATOM 0 H LEU B 137 -14.913 -0.823 1.034 1.00 0.00 H new ATOM 0 HA LEU B 137 -16.564 1.530 0.480 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -13.656 1.286 1.329 1.00 0.00 H new ATOM 0 HB3 LEU B 137 -14.407 2.796 0.852 1.00 0.00 H new ATOM 0 HG LEU B 137 -16.060 2.432 2.755 1.00 0.00 H new ATOM 0 HD11 LEU B 137 -15.344 1.055 4.640 1.00 0.00 H new ATOM 0 HD12 LEU B 137 -15.734 0.099 3.191 1.00 0.00 H new ATOM 0 HD13 LEU B 137 -14.035 0.384 3.637 1.00 0.00 H new ATOM 0 HD21 LEU B 137 -14.499 3.313 4.453 1.00 0.00 H new ATOM 0 HD22 LEU B 137 -13.133 2.849 3.412 1.00 0.00 H new ATOM 0 HD23 LEU B 137 -14.288 4.086 2.864 1.00 0.00 H new ATOM 1920 N GLU B 138 -14.519 0.071 -1.487 1.00 0.00 N ATOM 1921 CA GLU B 138 -13.920 0.024 -2.812 1.00 0.00 C ATOM 1922 C GLU B 138 -14.979 0.276 -3.900 1.00 0.00 C ATOM 1923 O GLU B 138 -14.909 1.265 -4.624 1.00 0.00 O ATOM 1924 CB GLU B 138 -13.249 -1.352 -3.082 1.00 0.00 C ATOM 1925 CG GLU B 138 -12.519 -2.011 -1.895 1.00 0.00 C ATOM 1926 CD GLU B 138 -13.476 -2.647 -0.892 1.00 0.00 C ATOM 1927 OE1 GLU B 138 -13.917 -3.793 -1.128 1.00 0.00 O ATOM 1928 OE2 GLU B 138 -13.852 -1.989 0.095 1.00 0.00 O ATOM 0 H GLU B 138 -14.407 -0.791 -0.954 1.00 0.00 H new ATOM 0 HA GLU B 138 -13.162 0.806 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU B 138 -14.016 -2.041 -3.435 1.00 0.00 H new ATOM 0 HB3 GLU B 138 -12.534 -1.228 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU B 138 -11.836 -2.772 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU B 138 -11.912 -1.262 -1.386 1.00 0.00 H new ATOM 1935 N CYS B 139 -15.971 -0.599 -3.960 1.00 0.00 N ATOM 1936 CA CYS B 139 -17.085 -0.531 -4.915 1.00 0.00 C ATOM 1937 C CYS B 139 -16.640 -0.230 -6.377 1.00 0.00 C ATOM 1938 O CYS B 139 -16.080 -1.097 -7.065 1.00 0.00 O ATOM 1939 CB CYS B 139 -18.188 0.439 -4.420 1.00 0.00 C ATOM 1940 SG CYS B 139 -19.620 0.617 -5.518 1.00 0.00 S ATOM 0 H CYS B 139 -16.032 -1.401 -3.332 1.00 0.00 H new ATOM 0 HA CYS B 139 -17.516 -1.532 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS B 139 -18.539 0.096 -3.447 1.00 0.00 H new ATOM 0 HB3 CYS B 139 -17.742 1.422 -4.270 1.00 0.00 H new ATOM 0 HG CYS B 139 -19.565 1.768 -6.120 1.00 0.00 H new ATOM 1946 N ASP B 140 -16.802 1.028 -6.795 1.00 0.00 N ATOM 1947 CA ASP B 140 -16.517 1.479 -8.168 1.00 0.00 C ATOM 1948 C ASP B 140 -15.035 1.582 -8.378 1.00 0.00 C ATOM 1949 O ASP B 140 -14.551 1.583 -9.512 1.00 0.00 O ATOM 1950 CB ASP B 140 -17.097 2.883 -8.420 1.00 0.00 C ATOM 1951 CG ASP B 140 -18.528 3.045 -8.004 1.00 0.00 C ATOM 1952 OD1 ASP B 140 -18.767 3.227 -6.802 1.00 0.00 O ATOM 1953 OD2 ASP B 140 -19.431 3.045 -8.857 1.00 0.00 O ATOM 0 H ASP B 140 -17.138 1.774 -6.186 1.00 0.00 H new ATOM 0 HA ASP B 140 -16.967 0.753 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP B 140 -16.491 3.615 -7.886 1.00 0.00 H new ATOM 0 HB3 ASP B 140 -17.012 3.113 -9.482 1.00 0.00 H new ATOM 1958 N MET B 141 -14.307 1.674 -7.284 1.00 0.00 N ATOM 1959 CA MET B 141 -12.887 1.841 -7.331 1.00 0.00 C ATOM 1960 C MET B 141 -12.237 0.552 -7.800 1.00 0.00 C ATOM 1961 O MET B 141 -11.188 0.579 -8.416 1.00 0.00 O ATOM 1962 CB MET B 141 -12.344 2.263 -5.967 1.00 0.00 C ATOM 1963 CG MET B 141 -10.893 2.649 -5.991 1.00 0.00 C ATOM 1964 SD MET B 141 -10.243 3.059 -4.390 1.00 0.00 S ATOM 1965 CE MET B 141 -8.570 3.463 -4.828 1.00 0.00 C ATOM 0 H MET B 141 -14.693 1.634 -6.341 1.00 0.00 H new ATOM 0 HA MET B 141 -12.647 2.634 -8.040 1.00 0.00 H new ATOM 0 HB2 MET B 141 -12.929 3.105 -5.597 1.00 0.00 H new ATOM 0 HB3 MET B 141 -12.482 1.444 -5.261 1.00 0.00 H new ATOM 0 HG2 MET B 141 -10.313 1.827 -6.410 1.00 0.00 H new ATOM 0 HG3 MET B 141 -10.763 3.502 -6.657 1.00 0.00 H new ATOM 0 HE1 MET B 141 -7.933 3.380 -3.947 1.00 0.00 H new ATOM 0 HE2 MET B 141 -8.218 2.774 -5.596 1.00 0.00 H new ATOM 0 HE3 MET B 141 -8.530 4.483 -5.210 1.00 0.00 H new ATOM 1975 N GLU B 142 -12.912 -0.576 -7.564 1.00 0.00 N ATOM 1976 CA GLU B 142 -12.418 -1.876 -8.003 1.00 0.00 C ATOM 1977 C GLU B 142 -12.177 -1.931 -9.508 1.00 0.00 C ATOM 1978 O GLU B 142 -11.334 -2.665 -9.960 1.00 0.00 O ATOM 1979 CB GLU B 142 -13.329 -3.010 -7.585 1.00 0.00 C ATOM 1980 CG GLU B 142 -13.180 -3.436 -6.139 1.00 0.00 C ATOM 1981 CD GLU B 142 -14.141 -4.553 -5.812 1.00 0.00 C ATOM 1982 OE1 GLU B 142 -14.110 -5.601 -6.493 1.00 0.00 O ATOM 1983 OE2 GLU B 142 -14.930 -4.426 -4.857 1.00 0.00 O ATOM 0 H GLU B 142 -13.804 -0.611 -7.070 1.00 0.00 H new ATOM 0 HA GLU B 142 -11.459 -2.006 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU B 142 -14.363 -2.711 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU B 142 -13.135 -3.870 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU B 142 -12.157 -3.764 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU B 142 -13.366 -2.586 -5.483 1.00 0.00 H new ATOM 1990 N SER B 143 -12.910 -1.138 -10.269 1.00 0.00 N ATOM 1991 CA SER B 143 -12.736 -1.099 -11.706 1.00 0.00 C ATOM 1992 C SER B 143 -11.364 -0.498 -12.065 1.00 0.00 C ATOM 1993 O SER B 143 -10.594 -1.086 -12.862 1.00 0.00 O ATOM 1994 CB SER B 143 -13.859 -0.286 -12.302 1.00 0.00 C ATOM 1995 OG SER B 143 -15.096 -0.747 -11.790 1.00 0.00 O ATOM 0 H SER B 143 -13.632 -0.512 -9.913 1.00 0.00 H new ATOM 0 HA SER B 143 -12.766 -2.109 -12.114 1.00 0.00 H new ATOM 0 HB2 SER B 143 -13.725 0.769 -12.064 1.00 0.00 H new ATOM 0 HB3 SER B 143 -13.848 -0.372 -13.389 1.00 0.00 H new ATOM 0 HG SER B 143 -15.826 -0.219 -12.175 1.00 0.00 H new ATOM 2001 N ILE B 144 -11.025 0.625 -11.427 1.00 0.00 N ATOM 2002 CA ILE B 144 -9.747 1.271 -11.668 1.00 0.00 C ATOM 2003 C ILE B 144 -8.626 0.461 -11.020 1.00 0.00 C ATOM 2004 O ILE B 144 -7.497 0.420 -11.502 1.00 0.00 O ATOM 2005 CB ILE B 144 -9.740 2.821 -11.289 1.00 0.00 C ATOM 2006 CG1 ILE B 144 -10.092 3.149 -9.799 1.00 0.00 C ATOM 2007 CG2 ILE B 144 -10.678 3.583 -12.207 1.00 0.00 C ATOM 2008 CD1 ILE B 144 -8.939 3.018 -8.811 1.00 0.00 C ATOM 0 H ILE B 144 -11.618 1.098 -10.745 1.00 0.00 H new ATOM 0 HA ILE B 144 -9.563 1.276 -12.742 1.00 0.00 H new ATOM 0 HB ILE B 144 -8.706 3.138 -11.422 1.00 0.00 H new ATOM 0 HG12 ILE B 144 -10.476 4.168 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE B 144 -10.898 2.489 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE B 144 -10.667 4.640 -11.942 1.00 0.00 H new ATOM 0 HG22 ILE B 144 -10.351 3.465 -13.240 1.00 0.00 H new ATOM 0 HG23 ILE B 144 -11.690 3.192 -12.099 1.00 0.00 H new ATOM 0 HD11 ILE B 144 -9.288 3.267 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE B 144 -8.566 1.994 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE B 144 -8.137 3.699 -9.095 1.00 0.00 H new ATOM 2020 N ILE B 145 -8.993 -0.244 -9.964 1.00 0.00 N ATOM 2021 CA ILE B 145 -8.117 -1.173 -9.283 1.00 0.00 C ATOM 2022 C ILE B 145 -7.792 -2.349 -10.166 1.00 0.00 C ATOM 2023 O ILE B 145 -6.648 -2.752 -10.253 1.00 0.00 O ATOM 2024 CB ILE B 145 -8.752 -1.664 -7.954 1.00 0.00 C ATOM 2025 CG1 ILE B 145 -8.703 -0.575 -6.870 1.00 0.00 C ATOM 2026 CG2 ILE B 145 -8.244 -3.035 -7.473 1.00 0.00 C ATOM 2027 CD1 ILE B 145 -7.334 0.057 -6.674 1.00 0.00 C ATOM 0 H ILE B 145 -9.924 -0.184 -9.551 1.00 0.00 H new ATOM 0 HA ILE B 145 -7.192 -0.646 -9.050 1.00 0.00 H new ATOM 0 HB ILE B 145 -9.804 -1.847 -8.175 1.00 0.00 H new ATOM 0 HG12 ILE B 145 -9.417 0.207 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE B 145 -9.029 -1.007 -5.924 1.00 0.00 H new ATOM 0 HG21 ILE B 145 -8.740 -3.300 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE B 145 -8.465 -3.790 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE B 145 -7.167 -2.988 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE B 145 -7.391 0.814 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE B 145 -6.617 -0.711 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE B 145 -7.011 0.522 -7.605 1.00 0.00 H new ATOM 2039 N ARG B 146 -8.801 -2.882 -10.827 1.00 0.00 N ATOM 2040 CA ARG B 146 -8.628 -4.023 -11.679 1.00 0.00 C ATOM 2041 C ARG B 146 -7.733 -3.670 -12.846 1.00 0.00 C ATOM 2042 O ARG B 146 -6.891 -4.462 -13.248 1.00 0.00 O ATOM 2043 CB ARG B 146 -9.966 -4.575 -12.149 1.00 0.00 C ATOM 2044 CG ARG B 146 -9.848 -5.938 -12.794 1.00 0.00 C ATOM 2045 CD ARG B 146 -11.199 -6.498 -13.143 1.00 0.00 C ATOM 2046 NE ARG B 146 -11.103 -7.855 -13.674 1.00 0.00 N ATOM 2047 CZ ARG B 146 -11.899 -8.866 -13.318 1.00 0.00 C ATOM 2048 NH1 ARG B 146 -12.855 -8.684 -12.402 1.00 0.00 N ATOM 2049 NH2 ARG B 146 -11.732 -10.058 -13.861 1.00 0.00 N ATOM 0 H ARG B 146 -9.758 -2.531 -10.783 1.00 0.00 H new ATOM 0 HA ARG B 146 -8.145 -4.812 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG B 146 -10.645 -4.639 -11.299 1.00 0.00 H new ATOM 0 HB3 ARG B 146 -10.410 -3.879 -12.861 1.00 0.00 H new ATOM 0 HG2 ARG B 146 -9.239 -5.864 -13.695 1.00 0.00 H new ATOM 0 HG3 ARG B 146 -9.334 -6.620 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG B 146 -11.832 -6.499 -12.256 1.00 0.00 H new ATOM 0 HD3 ARG B 146 -11.681 -5.853 -13.878 1.00 0.00 H new ATOM 0 HE ARG B 146 -10.377 -8.044 -14.365 1.00 0.00 H new ATOM 0 HH11 ARG B 146 -12.980 -7.768 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG B 146 -13.460 -9.461 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG B 146 -10.996 -10.205 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG B 146 -12.339 -10.831 -13.590 1.00 0.00 H new ATOM 2063 N SER B 147 -7.886 -2.451 -13.345 1.00 0.00 N ATOM 2064 CA SER B 147 -7.046 -1.963 -14.422 1.00 0.00 C ATOM 2065 C SER B 147 -5.577 -1.893 -13.928 1.00 0.00 C ATOM 2066 O SER B 147 -4.654 -2.334 -14.616 1.00 0.00 O ATOM 2067 CB SER B 147 -7.555 -0.582 -14.894 1.00 0.00 C ATOM 2068 OG SER B 147 -6.939 -0.169 -16.113 1.00 0.00 O ATOM 0 H SER B 147 -8.585 -1.784 -13.019 1.00 0.00 H new ATOM 0 HA SER B 147 -7.089 -2.642 -15.274 1.00 0.00 H new ATOM 0 HB2 SER B 147 -8.636 -0.622 -15.030 1.00 0.00 H new ATOM 0 HB3 SER B 147 -7.359 0.160 -14.120 1.00 0.00 H new ATOM 0 HG SER B 147 -7.290 0.707 -16.376 1.00 0.00 H new ATOM 2074 N GLU B 148 -5.394 -1.386 -12.713 1.00 0.00 N ATOM 2075 CA GLU B 148 -4.089 -1.300 -12.074 1.00 0.00 C ATOM 2076 C GLU B 148 -3.484 -2.701 -11.821 1.00 0.00 C ATOM 2077 O GLU B 148 -2.369 -2.968 -12.238 1.00 0.00 O ATOM 2078 CB GLU B 148 -4.210 -0.466 -10.774 1.00 0.00 C ATOM 2079 CG GLU B 148 -3.054 -0.557 -9.773 1.00 0.00 C ATOM 2080 CD GLU B 148 -1.709 -0.053 -10.237 1.00 0.00 C ATOM 2081 OE1 GLU B 148 -1.021 -0.761 -10.998 1.00 0.00 O ATOM 2082 OE2 GLU B 148 -1.270 1.014 -9.770 1.00 0.00 O ATOM 0 H GLU B 148 -6.155 -1.021 -12.141 1.00 0.00 H new ATOM 0 HA GLU B 148 -3.395 -0.793 -12.744 1.00 0.00 H new ATOM 0 HB2 GLU B 148 -4.333 0.580 -11.054 1.00 0.00 H new ATOM 0 HB3 GLU B 148 -5.124 -0.768 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU B 148 -3.335 -0.001 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU B 148 -2.942 -1.600 -9.478 1.00 0.00 H new ATOM 2089 N LEU B 149 -4.243 -3.605 -11.189 1.00 0.00 N ATOM 2090 CA LEU B 149 -3.733 -4.942 -10.843 1.00 0.00 C ATOM 2091 C LEU B 149 -3.453 -5.799 -12.076 1.00 0.00 C ATOM 2092 O LEU B 149 -2.624 -6.715 -12.032 1.00 0.00 O ATOM 2093 CB LEU B 149 -4.630 -5.674 -9.799 1.00 0.00 C ATOM 2094 CG LEU B 149 -6.087 -5.945 -10.169 1.00 0.00 C ATOM 2095 CD1 LEU B 149 -6.246 -7.130 -11.119 1.00 0.00 C ATOM 2096 CD2 LEU B 149 -6.937 -6.120 -8.930 1.00 0.00 C ATOM 0 H LEU B 149 -5.209 -3.438 -10.907 1.00 0.00 H new ATOM 0 HA LEU B 149 -2.770 -4.782 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU B 149 -4.161 -6.630 -9.568 1.00 0.00 H new ATOM 0 HB3 LEU B 149 -4.623 -5.086 -8.882 1.00 0.00 H new ATOM 0 HG LEU B 149 -6.441 -5.067 -10.709 1.00 0.00 H new ATOM 0 HD11 LEU B 149 -7.302 -7.275 -11.347 1.00 0.00 H new ATOM 0 HD12 LEU B 149 -5.700 -6.933 -12.041 1.00 0.00 H new ATOM 0 HD13 LEU B 149 -5.850 -8.030 -10.648 1.00 0.00 H new ATOM 0 HD21 LEU B 149 -7.970 -6.312 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU B 149 -6.562 -6.962 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU B 149 -6.893 -5.213 -8.327 1.00 0.00 H new ATOM 2108 N MET B 150 -4.137 -5.476 -13.159 1.00 0.00 N ATOM 2109 CA MET B 150 -4.007 -6.174 -14.431 1.00 0.00 C ATOM 2110 C MET B 150 -2.584 -6.109 -14.971 1.00 0.00 C ATOM 2111 O MET B 150 -2.022 -7.130 -15.403 1.00 0.00 O ATOM 2112 CB MET B 150 -4.965 -5.558 -15.460 1.00 0.00 C ATOM 2113 CG MET B 150 -4.904 -6.178 -16.847 1.00 0.00 C ATOM 2114 SD MET B 150 -5.948 -5.299 -18.026 1.00 0.00 S ATOM 2115 CE MET B 150 -5.647 -6.242 -19.517 1.00 0.00 C ATOM 0 H MET B 150 -4.810 -4.710 -13.182 1.00 0.00 H new ATOM 0 HA MET B 150 -4.257 -7.221 -14.259 1.00 0.00 H new ATOM 0 HB2 MET B 150 -5.984 -5.646 -15.084 1.00 0.00 H new ATOM 0 HB3 MET B 150 -4.748 -4.493 -15.545 1.00 0.00 H new ATOM 0 HG2 MET B 150 -3.873 -6.173 -17.201 1.00 0.00 H new ATOM 0 HG3 MET B 150 -5.217 -7.221 -16.792 1.00 0.00 H new ATOM 0 HE1 MET B 150 -6.225 -5.819 -20.338 1.00 0.00 H new ATOM 0 HE2 MET B 150 -4.586 -6.205 -19.763 1.00 0.00 H new ATOM 0 HE3 MET B 150 -5.946 -7.278 -19.359 1.00 0.00 H new ATOM 2125 N ASP B 151 -1.979 -4.939 -14.932 1.00 0.00 N ATOM 2126 CA ASP B 151 -0.683 -4.790 -15.552 1.00 0.00 C ATOM 2127 C ASP B 151 0.249 -3.892 -14.762 1.00 0.00 C ATOM 2128 O ASP B 151 -0.165 -2.862 -14.215 1.00 0.00 O ATOM 2129 CB ASP B 151 -0.851 -4.298 -16.991 1.00 0.00 C ATOM 2130 CG ASP B 151 0.447 -4.207 -17.741 1.00 0.00 C ATOM 2131 OD1 ASP B 151 1.074 -5.260 -17.998 1.00 0.00 O ATOM 2132 OD2 ASP B 151 0.849 -3.093 -18.130 1.00 0.00 O ATOM 0 H ASP B 151 -2.353 -4.099 -14.490 1.00 0.00 H new ATOM 0 HA ASP B 151 -0.208 -5.771 -15.564 1.00 0.00 H new ATOM 0 HB2 ASP B 151 -1.524 -4.972 -17.522 1.00 0.00 H new ATOM 0 HB3 ASP B 151 -1.326 -3.317 -16.980 1.00 0.00 H new ATOM 2137 N ALA B 152 1.490 -4.309 -14.674 1.00 0.00 N ATOM 2138 CA ALA B 152 2.514 -3.574 -13.982 1.00 0.00 C ATOM 2139 C ALA B 152 3.366 -2.821 -14.988 1.00 0.00 C ATOM 2140 O ALA B 152 3.209 -1.592 -15.122 1.00 0.00 O ATOM 2141 CB ALA B 152 3.370 -4.512 -13.151 1.00 0.00 C ATOM 2142 OXT ALA B 152 4.168 -3.464 -15.707 1.00 0.00 O ATOM 0 H ALA B 152 1.818 -5.181 -15.088 1.00 0.00 H new ATOM 0 HA ALA B 152 2.046 -2.857 -13.307 1.00 0.00 H new ATOM 0 HB1 ALA B 152 4.140 -3.940 -12.634 1.00 0.00 H new ATOM 0 HB2 ALA B 152 2.745 -5.023 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA B 152 3.841 -5.248 -13.803 1.00 0.00 H new TER 2148 ALA B 152