USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1079 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 97 THR OG1 : rot 180:sc= 1.05 USER MOD Set 1.2: A 100 SER OG : rot 22:sc= 2.34 USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.921 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -161:sc= 1.52 (180deg=0.179) USER MOD Set 3.1: A 67 TYR OH : rot 180:sc= -0.0359 USER MOD Set 3.2: A 72 GLN : amide:sc= 0.0544 K(o=0.019,f=-6.6!) USER MOD Single : A 1 SER N :NH3+ -130:sc= 0.133 (180deg=0) USER MOD Single : A 1 SER OG : rot 151:sc= 1.03 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.136 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.056 (180deg=-0.516) USER MOD Single : A 20 SER OG : rot 79:sc= 1.25 USER MOD Single : A 21 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.03) USER MOD Single : A 34 THR OG1 : rot -40:sc= 0.012 USER MOD Single : A 37 SER OG : rot 141:sc= 0.667 USER MOD Single : A 40 ASN : amide:sc= -5.82! C(o=-5.8!,f=-20!) USER MOD Single : A 47 CYS SG : rot 62:sc= -0.589 USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= 1.17 (180deg=-0.839) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0.328 (180deg=0.209) USER MOD Single : A 53 SER OG : rot -73:sc= 0.434 USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= 1.11 (180deg=-1) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 58 GLN : amide:sc= -1.98 K(o=-2,f=-4.2!) USER MOD Single : A 60 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.08 (180deg=0.997) USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= 0.816 (180deg=0.0743) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= -1.75 (180deg=-2.55!) USER MOD Single : A 80 ASN : amide:sc=-0.00398 K(o=-0.004,f=-0.75) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 53:sc= 0.0353 USER MOD Single : A 90 THR OG1 : rot -13:sc= 1.22 USER MOD Single : A 91 ASN : amide:sc= 0.517 K(o=0.52,f=-0.68) USER MOD Single : A 92 SER OG : rot -67:sc= 0.992 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -0.219 F(o=-1.4,f=-0.22) USER MOD Single : A 105 GLN :FLIP amide:sc= -2.07 F(o=-2.6,f=-2.1) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.689 K(o=0.69,f=-7.4!) USER MOD Single : A 112 MET CE :methyl 156:sc= -3.17 (180deg=-4.84!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 117 TYR OH : rot 42:sc= 0.361 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -56:sc= 1.35 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 139:sc= -1.23 (180deg=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.540 -9.513 -11.034 1.00 0.00 N ATOM 2 CA SER A 1 -15.699 -8.381 -10.097 1.00 0.00 C ATOM 3 C SER A 1 -17.141 -8.317 -9.588 1.00 0.00 C ATOM 4 O SER A 1 -17.941 -9.214 -9.867 1.00 0.00 O ATOM 5 CB SER A 1 -15.310 -7.068 -10.792 1.00 0.00 C ATOM 6 OG SER A 1 -15.337 -5.973 -9.887 1.00 0.00 O ATOM 0 H1 SER A 1 -14.713 -10.079 -10.757 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.392 -10.109 -11.007 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.403 -9.149 -11.998 1.00 0.00 H new ATOM 0 HA SER A 1 -15.040 -8.530 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.312 -7.163 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.994 -6.876 -11.618 1.00 0.00 H new ATOM 0 HG SER A 1 -14.682 -5.300 -10.168 1.00 0.00 H new ATOM 14 N MET A 2 -17.460 -7.248 -8.852 1.00 0.00 N ATOM 15 CA MET A 2 -18.771 -7.079 -8.220 1.00 0.00 C ATOM 16 C MET A 2 -19.022 -8.205 -7.213 1.00 0.00 C ATOM 17 O MET A 2 -19.560 -9.264 -7.551 1.00 0.00 O ATOM 18 CB MET A 2 -19.902 -7.016 -9.263 1.00 0.00 C ATOM 19 CG MET A 2 -21.267 -6.715 -8.656 1.00 0.00 C ATOM 20 SD MET A 2 -21.289 -5.149 -7.757 1.00 0.00 S ATOM 21 CE MET A 2 -22.955 -5.155 -7.093 1.00 0.00 C ATOM 0 H MET A 2 -16.817 -6.476 -8.678 1.00 0.00 H new ATOM 0 HA MET A 2 -18.767 -6.127 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 2 -19.664 -6.250 -10.001 1.00 0.00 H new ATOM 0 HB3 MET A 2 -19.950 -7.967 -9.794 1.00 0.00 H new ATOM 0 HG2 MET A 2 -22.016 -6.687 -9.448 1.00 0.00 H new ATOM 0 HG3 MET A 2 -21.548 -7.523 -7.980 1.00 0.00 H new ATOM 0 HE1 MET A 2 -23.118 -4.247 -6.512 1.00 0.00 H new ATOM 0 HE2 MET A 2 -23.673 -5.195 -7.912 1.00 0.00 H new ATOM 0 HE3 MET A 2 -23.088 -6.026 -6.451 1.00 0.00 H new ATOM 31 N VAL A 3 -18.612 -7.962 -5.975 1.00 0.00 N ATOM 32 CA VAL A 3 -18.656 -8.967 -4.918 1.00 0.00 C ATOM 33 C VAL A 3 -20.070 -9.128 -4.356 1.00 0.00 C ATOM 34 O VAL A 3 -20.924 -8.255 -4.527 1.00 0.00 O ATOM 35 CB VAL A 3 -17.694 -8.576 -3.767 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.208 -7.338 -3.033 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.479 -9.738 -2.803 1.00 0.00 C ATOM 0 H VAL A 3 -18.239 -7.062 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.346 -9.916 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.726 -8.334 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.519 -7.080 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.279 -6.504 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.193 -7.546 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.800 -9.430 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.435 -10.033 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.049 -10.583 -3.341 1.00 0.00 H new ATOM 47 N SER A 4 -20.308 -10.258 -3.694 1.00 0.00 N ATOM 48 CA SER A 4 -21.550 -10.485 -2.970 1.00 0.00 C ATOM 49 C SER A 4 -21.649 -9.514 -1.786 1.00 0.00 C ATOM 50 O SER A 4 -20.692 -9.368 -1.021 1.00 0.00 O ATOM 51 CB SER A 4 -21.603 -11.938 -2.482 1.00 0.00 C ATOM 52 OG SER A 4 -21.462 -12.840 -3.568 1.00 0.00 O ATOM 0 H SER A 4 -19.649 -11.035 -3.646 1.00 0.00 H new ATOM 0 HA SER A 4 -22.396 -10.307 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.810 -12.111 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.549 -12.121 -1.972 1.00 0.00 H new ATOM 0 HG SER A 4 -21.497 -13.761 -3.235 1.00 0.00 H new ATOM 58 N PRO A 5 -22.810 -8.842 -1.622 1.00 0.00 N ATOM 59 CA PRO A 5 -23.009 -7.819 -0.580 1.00 0.00 C ATOM 60 C PRO A 5 -22.568 -8.276 0.815 1.00 0.00 C ATOM 61 O PRO A 5 -22.075 -7.476 1.610 1.00 0.00 O ATOM 62 CB PRO A 5 -24.521 -7.570 -0.619 1.00 0.00 C ATOM 63 CG PRO A 5 -24.912 -7.880 -2.023 1.00 0.00 C ATOM 64 CD PRO A 5 -24.023 -9.019 -2.452 1.00 0.00 C ATOM 0 HA PRO A 5 -22.406 -6.931 -0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.047 -8.209 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.761 -6.539 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.964 -8.160 -2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -24.775 -7.012 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.494 -9.985 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.792 -8.969 -3.516 1.00 0.00 H new ATOM 72 N GLU A 6 -22.739 -9.566 1.103 1.00 0.00 N ATOM 73 CA GLU A 6 -22.357 -10.119 2.401 1.00 0.00 C ATOM 74 C GLU A 6 -20.852 -9.965 2.636 1.00 0.00 C ATOM 75 O GLU A 6 -20.422 -9.537 3.706 1.00 0.00 O ATOM 76 CB GLU A 6 -22.769 -11.593 2.507 1.00 0.00 C ATOM 77 CG GLU A 6 -24.275 -11.817 2.388 1.00 0.00 C ATOM 78 CD GLU A 6 -24.681 -13.260 2.653 1.00 0.00 C ATOM 79 OE1 GLU A 6 -24.948 -13.600 3.826 1.00 0.00 O ATOM 80 OE2 GLU A 6 -24.730 -14.059 1.697 1.00 0.00 O ATOM 0 H GLU A 6 -23.139 -10.246 0.456 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.883 -9.559 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.263 -12.160 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.425 -11.990 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.791 -11.164 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.602 -11.530 1.389 1.00 0.00 H new ATOM 87 N GLU A 7 -20.056 -10.294 1.623 1.00 0.00 N ATOM 88 CA GLU A 7 -18.605 -10.145 1.711 1.00 0.00 C ATOM 89 C GLU A 7 -18.239 -8.664 1.708 1.00 0.00 C ATOM 90 O GLU A 7 -17.283 -8.243 2.359 1.00 0.00 O ATOM 91 CB GLU A 7 -17.917 -10.869 0.547 1.00 0.00 C ATOM 92 CG GLU A 7 -16.392 -10.747 0.539 1.00 0.00 C ATOM 93 CD GLU A 7 -15.737 -11.335 1.781 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.913 -12.546 2.029 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.022 -10.602 2.492 1.00 0.00 O ATOM 0 H GLU A 7 -20.389 -10.665 0.733 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.260 -10.595 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.185 -11.925 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.306 -10.474 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.998 -11.250 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.119 -9.695 0.455 1.00 0.00 H new ATOM 102 N ALA A 8 -19.027 -7.878 0.986 1.00 0.00 N ATOM 103 CA ALA A 8 -18.812 -6.441 0.904 1.00 0.00 C ATOM 104 C ALA A 8 -18.906 -5.798 2.288 1.00 0.00 C ATOM 105 O ALA A 8 -18.063 -4.983 2.660 1.00 0.00 O ATOM 106 CB ALA A 8 -19.813 -5.812 -0.055 1.00 0.00 C ATOM 0 H ALA A 8 -19.825 -8.215 0.447 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.808 -6.263 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.641 -4.737 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.690 -6.247 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.826 -6.001 0.301 1.00 0.00 H new ATOM 112 N VAL A 9 -19.931 -6.179 3.055 1.00 0.00 N ATOM 113 CA VAL A 9 -20.115 -5.638 4.403 1.00 0.00 C ATOM 114 C VAL A 9 -19.112 -6.256 5.379 1.00 0.00 C ATOM 115 O VAL A 9 -18.862 -5.710 6.457 1.00 0.00 O ATOM 116 CB VAL A 9 -21.563 -5.841 4.928 1.00 0.00 C ATOM 117 CG1 VAL A 9 -22.572 -5.162 4.002 1.00 0.00 C ATOM 118 CG2 VAL A 9 -21.892 -7.323 5.101 1.00 0.00 C ATOM 0 H VAL A 9 -20.640 -6.854 2.768 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.936 -4.565 4.337 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.630 -5.374 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.580 -5.316 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.361 -4.094 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.496 -5.592 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -22.912 -7.429 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.799 -7.831 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -21.200 -7.768 5.816 1.00 0.00 H new ATOM 128 N LYS A 10 -18.542 -7.402 5.000 1.00 0.00 N ATOM 129 CA LYS A 10 -17.463 -8.016 5.775 1.00 0.00 C ATOM 130 C LYS A 10 -16.206 -7.148 5.724 1.00 0.00 C ATOM 131 O LYS A 10 -15.408 -7.143 6.658 1.00 0.00 O ATOM 132 CB LYS A 10 -17.138 -9.427 5.253 1.00 0.00 C ATOM 133 CG LYS A 10 -18.196 -10.482 5.563 1.00 0.00 C ATOM 134 CD LYS A 10 -18.261 -10.810 7.053 1.00 0.00 C ATOM 135 CE LYS A 10 -19.237 -11.945 7.338 1.00 0.00 C ATOM 136 NZ LYS A 10 -19.230 -12.342 8.770 1.00 0.00 N ATOM 0 H LYS A 10 -18.809 -7.922 4.164 1.00 0.00 H new ATOM 0 HA LYS A 10 -17.802 -8.097 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -17.000 -9.377 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.188 -9.748 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -19.170 -10.127 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.977 -11.390 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.268 -11.086 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.563 -9.922 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.243 -11.638 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.980 -12.807 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.908 -13.117 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.277 -12.660 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.501 -11.528 9.357 1.00 0.00 H new ATOM 150 N TRP A 11 -16.039 -6.407 4.629 1.00 0.00 N ATOM 151 CA TRP A 11 -14.869 -5.546 4.453 1.00 0.00 C ATOM 152 C TRP A 11 -14.815 -4.467 5.530 1.00 0.00 C ATOM 153 O TRP A 11 -13.740 -3.955 5.853 1.00 0.00 O ATOM 154 CB TRP A 11 -14.870 -4.914 3.057 1.00 0.00 C ATOM 155 CG TRP A 11 -14.712 -5.919 1.952 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.265 -7.204 2.070 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.985 -5.717 0.561 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.250 -7.814 0.844 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.685 -6.922 -0.100 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.459 -4.636 -0.187 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.838 -7.075 -1.475 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.609 -4.788 -1.552 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.301 -5.998 -2.183 1.00 0.00 C ATOM 0 H TRP A 11 -16.698 -6.385 3.851 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.978 -6.165 4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.803 -4.369 2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -14.062 -4.185 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.966 -7.672 2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.962 -8.776 0.663 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.703 -3.700 0.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.601 -8.008 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.970 -3.959 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.431 -6.085 -3.252 1.00 0.00 H new ATOM 174 N GLY A 12 -15.978 -4.146 6.096 1.00 0.00 N ATOM 175 CA GLY A 12 -16.047 -3.174 7.174 1.00 0.00 C ATOM 176 C GLY A 12 -15.342 -3.649 8.435 1.00 0.00 C ATOM 177 O GLY A 12 -15.124 -2.867 9.367 1.00 0.00 O ATOM 0 H GLY A 12 -16.877 -4.545 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.599 -2.237 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.092 -2.964 7.403 1.00 0.00 H new ATOM 181 N GLU A 13 -14.994 -4.936 8.472 1.00 0.00 N ATOM 182 CA GLU A 13 -14.271 -5.510 9.604 1.00 0.00 C ATOM 183 C GLU A 13 -12.808 -5.079 9.581 1.00 0.00 C ATOM 184 O GLU A 13 -12.274 -4.609 10.588 1.00 0.00 O ATOM 185 CB GLU A 13 -14.354 -7.044 9.586 1.00 0.00 C ATOM 186 CG GLU A 13 -15.772 -7.596 9.671 1.00 0.00 C ATOM 187 CD GLU A 13 -15.804 -9.119 9.650 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.617 -9.708 8.566 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.009 -9.733 10.717 1.00 0.00 O ATOM 0 H GLU A 13 -15.203 -5.601 7.728 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.738 -5.142 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.888 -7.411 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.773 -7.438 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.244 -7.238 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.359 -7.211 8.837 1.00 0.00 H new ATOM 196 N SER A 14 -12.160 -5.234 8.427 1.00 0.00 N ATOM 197 CA SER A 14 -10.731 -4.956 8.312 1.00 0.00 C ATOM 198 C SER A 14 -10.342 -4.585 6.880 1.00 0.00 C ATOM 199 O SER A 14 -10.642 -5.318 5.926 1.00 0.00 O ATOM 200 CB SER A 14 -9.919 -6.177 8.769 1.00 0.00 C ATOM 201 OG SER A 14 -10.267 -6.564 10.088 1.00 0.00 O ATOM 0 H SER A 14 -12.600 -5.549 7.563 1.00 0.00 H new ATOM 0 HA SER A 14 -10.507 -4.104 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.093 -7.008 8.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.855 -5.946 8.725 1.00 0.00 H new ATOM 0 HG SER A 14 -9.735 -7.344 10.351 1.00 0.00 H new ATOM 207 N PHE A 15 -9.639 -3.459 6.746 1.00 0.00 N ATOM 208 CA PHE A 15 -9.101 -3.018 5.461 1.00 0.00 C ATOM 209 C PHE A 15 -8.227 -4.116 4.858 1.00 0.00 C ATOM 210 O PHE A 15 -8.076 -4.211 3.640 1.00 0.00 O ATOM 211 CB PHE A 15 -8.289 -1.724 5.646 1.00 0.00 C ATOM 212 CG PHE A 15 -7.569 -1.261 4.402 1.00 0.00 C ATOM 213 CD1 PHE A 15 -8.257 -0.634 3.374 1.00 0.00 C ATOM 214 CD2 PHE A 15 -6.200 -1.451 4.263 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.601 -0.214 2.236 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.540 -1.032 3.125 1.00 0.00 C ATOM 217 CZ PHE A 15 -6.241 -0.410 2.110 1.00 0.00 C ATOM 0 H PHE A 15 -9.428 -2.831 7.522 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.926 -2.815 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.960 -0.932 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.558 -1.878 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.321 -0.472 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.645 -1.932 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.152 0.269 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.476 -1.190 3.028 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.726 -0.078 1.221 1.00 0.00 H new ATOM 227 N ASP A 16 -7.664 -4.944 5.736 1.00 0.00 N ATOM 228 CA ASP A 16 -6.846 -6.085 5.328 1.00 0.00 C ATOM 229 C ASP A 16 -7.580 -6.953 4.305 1.00 0.00 C ATOM 230 O ASP A 16 -7.072 -7.187 3.208 1.00 0.00 O ATOM 231 CB ASP A 16 -6.464 -6.931 6.549 1.00 0.00 C ATOM 232 CG ASP A 16 -5.652 -8.165 6.174 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.404 -8.073 6.127 1.00 0.00 O ATOM 234 OD2 ASP A 16 -6.255 -9.233 5.928 1.00 0.00 O ATOM 0 H ASP A 16 -7.761 -4.844 6.746 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.940 -5.697 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.889 -6.320 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.370 -7.241 7.070 1.00 0.00 H new ATOM 239 N LYS A 17 -8.784 -7.413 4.655 1.00 0.00 N ATOM 240 CA LYS A 17 -9.532 -8.312 3.773 1.00 0.00 C ATOM 241 C LYS A 17 -10.056 -7.551 2.561 1.00 0.00 C ATOM 242 O LYS A 17 -10.198 -8.118 1.477 1.00 0.00 O ATOM 243 CB LYS A 17 -10.691 -9.010 4.505 1.00 0.00 C ATOM 244 CG LYS A 17 -11.746 -8.066 5.071 1.00 0.00 C ATOM 245 CD LYS A 17 -13.063 -8.789 5.347 1.00 0.00 C ATOM 246 CE LYS A 17 -12.900 -9.965 6.305 1.00 0.00 C ATOM 247 NZ LYS A 17 -14.187 -10.676 6.522 1.00 0.00 N ATOM 0 H LYS A 17 -9.256 -7.182 5.529 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.842 -9.088 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.174 -9.702 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.281 -9.606 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.376 -7.619 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.919 -7.251 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.780 -8.082 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.480 -9.148 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.162 -10.661 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.516 -9.607 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.014 -11.554 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.833 -10.067 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.616 -10.906 5.603 1.00 0.00 H new ATOM 261 N LEU A 18 -10.337 -6.262 2.755 1.00 0.00 N ATOM 262 CA LEU A 18 -10.745 -5.390 1.655 1.00 0.00 C ATOM 263 C LEU A 18 -9.687 -5.410 0.553 1.00 0.00 C ATOM 264 O LEU A 18 -9.989 -5.665 -0.614 1.00 0.00 O ATOM 265 CB LEU A 18 -10.953 -3.953 2.163 1.00 0.00 C ATOM 266 CG LEU A 18 -11.192 -2.889 1.072 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.460 -3.186 0.282 1.00 0.00 C ATOM 268 CD2 LEU A 18 -11.254 -1.492 1.684 1.00 0.00 C ATOM 0 H LEU A 18 -10.289 -5.800 3.663 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.688 -5.756 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.804 -3.947 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.078 -3.662 2.744 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.350 -2.925 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.602 -2.419 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.370 -4.161 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.316 -3.191 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.423 -0.757 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.071 -1.446 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.313 -1.273 2.188 1.00 0.00 H new ATOM 280 N LEU A 19 -8.444 -5.165 0.949 1.00 0.00 N ATOM 281 CA LEU A 19 -7.324 -5.108 0.017 1.00 0.00 C ATOM 282 C LEU A 19 -6.984 -6.504 -0.513 1.00 0.00 C ATOM 283 O LEU A 19 -6.601 -6.662 -1.672 1.00 0.00 O ATOM 284 CB LEU A 19 -6.105 -4.490 0.719 1.00 0.00 C ATOM 285 CG LEU A 19 -4.867 -4.268 -0.166 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.174 -3.284 -1.296 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.689 -3.778 0.677 1.00 0.00 C ATOM 0 H LEU A 19 -8.184 -5.001 1.922 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.604 -4.486 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.401 -3.531 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.823 -5.135 1.551 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.593 -5.222 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.283 -3.143 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.980 -3.680 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.478 -2.327 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.821 -3.626 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.953 -2.837 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.452 -4.522 1.438 1.00 0.00 H new ATOM 299 N SER A 20 -7.132 -7.511 0.343 1.00 0.00 N ATOM 300 CA SER A 20 -6.783 -8.885 -0.015 1.00 0.00 C ATOM 301 C SER A 20 -7.813 -9.507 -0.965 1.00 0.00 C ATOM 302 O SER A 20 -7.506 -10.462 -1.685 1.00 0.00 O ATOM 303 CB SER A 20 -6.639 -9.739 1.252 1.00 0.00 C ATOM 304 OG SER A 20 -5.653 -9.197 2.119 1.00 0.00 O ATOM 0 H SER A 20 -7.492 -7.402 1.291 1.00 0.00 H new ATOM 0 HA SER A 20 -5.829 -8.859 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.596 -9.791 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.368 -10.759 0.979 1.00 0.00 H new ATOM 0 HG SER A 20 -6.032 -8.441 2.613 1.00 0.00 H new ATOM 310 N HIS A 21 -9.035 -8.973 -0.974 1.00 0.00 N ATOM 311 CA HIS A 21 -10.087 -9.502 -1.840 1.00 0.00 C ATOM 312 C HIS A 21 -10.055 -8.767 -3.177 1.00 0.00 C ATOM 313 O HIS A 21 -10.257 -7.556 -3.219 1.00 0.00 O ATOM 314 CB HIS A 21 -11.473 -9.359 -1.177 1.00 0.00 C ATOM 315 CG HIS A 21 -12.413 -10.498 -1.476 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.248 -10.539 -2.577 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.646 -11.649 -0.795 1.00 0.00 C ATOM 318 CE1 HIS A 21 -13.950 -11.659 -2.555 1.00 0.00 C ATOM 319 NE2 HIS A 21 -13.602 -12.347 -1.487 1.00 0.00 N ATOM 0 H HIS A 21 -9.318 -8.181 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.908 -10.564 -2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.342 -9.282 -0.098 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.930 -8.427 -1.510 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.312 -9.817 -3.295 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.167 -11.958 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.684 -11.959 -3.288 1.00 0.00 H new ATOM 328 N ARG A 22 -9.793 -9.516 -4.253 1.00 0.00 N ATOM 329 CA ARG A 22 -9.653 -8.964 -5.614 1.00 0.00 C ATOM 330 C ARG A 22 -10.628 -7.809 -5.864 1.00 0.00 C ATOM 331 O ARG A 22 -10.227 -6.715 -6.260 1.00 0.00 O ATOM 332 CB ARG A 22 -9.900 -10.048 -6.685 1.00 0.00 C ATOM 333 CG ARG A 22 -9.185 -11.385 -6.455 1.00 0.00 C ATOM 334 CD ARG A 22 -10.044 -12.376 -5.663 1.00 0.00 C ATOM 335 NE ARG A 22 -11.371 -12.558 -6.260 1.00 0.00 N ATOM 336 CZ ARG A 22 -12.335 -13.323 -5.735 1.00 0.00 C ATOM 337 NH1 ARG A 22 -12.126 -13.996 -4.609 1.00 0.00 N ATOM 338 NH2 ARG A 22 -13.514 -13.409 -6.336 1.00 0.00 N ATOM 0 H ARG A 22 -9.671 -10.528 -4.209 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.630 -8.594 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.972 -10.236 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.591 -9.653 -7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.922 -11.824 -7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.252 -11.208 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.534 -13.338 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.154 -12.021 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.572 -12.069 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.224 -13.932 -4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.867 -14.577 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.686 -12.892 -7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.249 -13.992 -5.936 1.00 0.00 H new ATOM 352 N ASP A 23 -11.908 -8.074 -5.616 1.00 0.00 N ATOM 353 CA ASP A 23 -12.981 -7.103 -5.852 1.00 0.00 C ATOM 354 C ASP A 23 -12.723 -5.812 -5.078 1.00 0.00 C ATOM 355 O ASP A 23 -12.855 -4.710 -5.617 1.00 0.00 O ATOM 356 CB ASP A 23 -14.331 -7.700 -5.424 1.00 0.00 C ATOM 357 CG ASP A 23 -14.495 -9.143 -5.868 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.908 -10.030 -5.207 1.00 0.00 O ATOM 359 OD2 ASP A 23 -15.195 -9.396 -6.870 1.00 0.00 O ATOM 0 H ASP A 23 -12.234 -8.967 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.006 -6.872 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.422 -7.644 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.139 -7.100 -5.843 1.00 0.00 H new ATOM 364 N GLY A 24 -12.342 -5.964 -3.810 1.00 0.00 N ATOM 365 CA GLY A 24 -12.080 -4.820 -2.954 1.00 0.00 C ATOM 366 C GLY A 24 -10.881 -4.031 -3.424 1.00 0.00 C ATOM 367 O GLY A 24 -10.918 -2.803 -3.487 1.00 0.00 O ATOM 0 H GLY A 24 -12.210 -6.869 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.956 -4.172 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.913 -5.161 -1.932 1.00 0.00 H new ATOM 371 N LEU A 25 -9.820 -4.751 -3.768 1.00 0.00 N ATOM 372 CA LEU A 25 -8.597 -4.148 -4.283 1.00 0.00 C ATOM 373 C LEU A 25 -8.897 -3.331 -5.540 1.00 0.00 C ATOM 374 O LEU A 25 -8.433 -2.197 -5.684 1.00 0.00 O ATOM 375 CB LEU A 25 -7.557 -5.253 -4.558 1.00 0.00 C ATOM 376 CG LEU A 25 -6.223 -4.803 -5.198 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.077 -5.705 -4.743 1.00 0.00 C ATOM 378 CD2 LEU A 25 -6.315 -4.813 -6.727 1.00 0.00 C ATOM 0 H LEU A 25 -9.783 -5.768 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.183 -3.465 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.332 -5.751 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.014 -5.997 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.025 -3.783 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.147 -5.372 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.983 -5.654 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.282 -6.733 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.363 -4.492 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.544 -5.822 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.103 -4.132 -7.049 1.00 0.00 H new ATOM 390 N GLU A 26 -9.697 -3.908 -6.437 1.00 0.00 N ATOM 391 CA GLU A 26 -10.068 -3.246 -7.685 1.00 0.00 C ATOM 392 C GLU A 26 -10.891 -1.990 -7.402 1.00 0.00 C ATOM 393 O GLU A 26 -10.643 -0.926 -7.973 1.00 0.00 O ATOM 394 CB GLU A 26 -10.867 -4.196 -8.585 1.00 0.00 C ATOM 395 CG GLU A 26 -11.205 -3.602 -9.950 1.00 0.00 C ATOM 396 CD GLU A 26 -12.145 -4.476 -10.761 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.685 -5.487 -11.330 1.00 0.00 O ATOM 398 OE2 GLU A 26 -13.346 -4.148 -10.841 1.00 0.00 O ATOM 0 H GLU A 26 -10.102 -4.837 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.151 -2.960 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.296 -5.114 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.792 -4.471 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.659 -2.621 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.284 -3.450 -10.512 1.00 0.00 H new ATOM 405 N ALA A 27 -11.875 -2.118 -6.520 1.00 0.00 N ATOM 406 CA ALA A 27 -12.731 -0.994 -6.153 1.00 0.00 C ATOM 407 C ALA A 27 -11.914 0.099 -5.467 1.00 0.00 C ATOM 408 O ALA A 27 -12.159 1.295 -5.663 1.00 0.00 O ATOM 409 CB ALA A 27 -13.864 -1.468 -5.249 1.00 0.00 C ATOM 0 H ALA A 27 -12.101 -2.991 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.165 -0.575 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.495 -0.621 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.461 -2.214 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.447 -1.909 -4.344 1.00 0.00 H new ATOM 415 N PHE A 28 -10.923 -0.331 -4.691 1.00 0.00 N ATOM 416 CA PHE A 28 -10.097 0.574 -3.905 1.00 0.00 C ATOM 417 C PHE A 28 -9.172 1.388 -4.804 1.00 0.00 C ATOM 418 O PHE A 28 -9.118 2.606 -4.689 1.00 0.00 O ATOM 419 CB PHE A 28 -9.283 -0.209 -2.863 1.00 0.00 C ATOM 420 CG PHE A 28 -8.432 0.663 -1.973 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.020 1.549 -1.079 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.047 0.595 -2.028 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.244 2.348 -0.264 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.268 1.393 -1.213 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.866 2.270 -0.330 1.00 0.00 C ATOM 0 H PHE A 28 -10.672 -1.315 -4.591 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.756 1.267 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.967 -0.788 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.640 -0.922 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.097 1.613 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.573 -0.090 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.714 3.034 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.191 1.331 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.258 2.894 0.308 1.00 0.00 H new ATOM 435 N THR A 29 -8.461 0.717 -5.709 1.00 0.00 N ATOM 436 CA THR A 29 -7.523 1.403 -6.596 1.00 0.00 C ATOM 437 C THR A 29 -8.261 2.396 -7.502 1.00 0.00 C ATOM 438 O THR A 29 -7.759 3.484 -7.780 1.00 0.00 O ATOM 439 CB THR A 29 -6.694 0.406 -7.454 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.750 1.114 -8.271 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.589 -0.449 -8.346 1.00 0.00 C ATOM 0 H THR A 29 -8.515 -0.292 -5.847 1.00 0.00 H new ATOM 0 HA THR A 29 -6.826 1.951 -5.962 1.00 0.00 H new ATOM 0 HB THR A 29 -6.165 -0.252 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.234 0.474 -8.804 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.973 -1.133 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.280 -1.021 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.154 0.196 -9.019 1.00 0.00 H new ATOM 449 N ARG A 30 -9.472 2.030 -7.927 1.00 0.00 N ATOM 450 CA ARG A 30 -10.279 2.893 -8.790 1.00 0.00 C ATOM 451 C ARG A 30 -10.675 4.180 -8.066 1.00 0.00 C ATOM 452 O ARG A 30 -10.684 5.261 -8.661 1.00 0.00 O ATOM 453 CB ARG A 30 -11.531 2.147 -9.279 1.00 0.00 C ATOM 454 CG ARG A 30 -11.229 1.033 -10.282 1.00 0.00 C ATOM 455 CD ARG A 30 -12.499 0.339 -10.768 1.00 0.00 C ATOM 456 NE ARG A 30 -13.104 -0.498 -9.728 1.00 0.00 N ATOM 457 CZ ARG A 30 -14.402 -0.811 -9.671 1.00 0.00 C ATOM 458 NH1 ARG A 30 -15.266 -0.277 -10.530 1.00 0.00 N ATOM 459 NH2 ARG A 30 -14.844 -1.647 -8.741 1.00 0.00 N ATOM 0 H ARG A 30 -9.914 1.143 -7.688 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.673 3.164 -9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.048 1.720 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.213 2.862 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.694 1.449 -11.136 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.569 0.299 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.220 1.089 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.265 -0.276 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.493 -0.866 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.940 0.378 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.255 -0.523 -10.478 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.193 -2.052 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.835 -1.885 -8.699 1.00 0.00 H new ATOM 473 N PHE A 31 -10.996 4.062 -6.780 1.00 0.00 N ATOM 474 CA PHE A 31 -11.367 5.220 -5.969 1.00 0.00 C ATOM 475 C PHE A 31 -10.125 6.027 -5.585 1.00 0.00 C ATOM 476 O PHE A 31 -10.067 7.237 -5.790 1.00 0.00 O ATOM 477 CB PHE A 31 -12.122 4.768 -4.710 1.00 0.00 C ATOM 478 CG PHE A 31 -12.513 5.904 -3.796 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.539 6.772 -4.147 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.856 6.105 -2.589 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.900 7.814 -3.315 1.00 0.00 C ATOM 482 CE2 PHE A 31 -12.214 7.146 -1.755 1.00 0.00 C ATOM 483 CZ PHE A 31 -13.236 8.001 -2.117 1.00 0.00 C ATOM 0 H PHE A 31 -11.007 3.175 -6.276 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.024 5.860 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.021 4.229 -5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.499 4.066 -4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.061 6.631 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.056 5.440 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.700 8.482 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.694 7.291 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.516 8.815 -1.465 1.00 0.00 H new ATOM 493 N LEU A 32 -9.130 5.332 -5.051 1.00 0.00 N ATOM 494 CA LEU A 32 -7.881 5.945 -4.596 1.00 0.00 C ATOM 495 C LEU A 32 -7.185 6.689 -5.741 1.00 0.00 C ATOM 496 O LEU A 32 -6.412 7.626 -5.521 1.00 0.00 O ATOM 497 CB LEU A 32 -6.961 4.849 -4.036 1.00 0.00 C ATOM 498 CG LEU A 32 -5.672 5.333 -3.358 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.989 6.143 -2.104 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.768 4.147 -3.027 1.00 0.00 C ATOM 0 H LEU A 32 -9.163 4.321 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.106 6.672 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.528 4.260 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.689 4.179 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.142 5.985 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.060 6.475 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.590 7.011 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.543 5.522 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.858 4.506 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.290 3.468 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.510 3.619 -3.945 1.00 0.00 H new ATOM 512 N LYS A 33 -7.477 6.261 -6.963 1.00 0.00 N ATOM 513 CA LYS A 33 -6.881 6.839 -8.161 1.00 0.00 C ATOM 514 C LYS A 33 -7.277 8.310 -8.335 1.00 0.00 C ATOM 515 O LYS A 33 -6.480 9.117 -8.813 1.00 0.00 O ATOM 516 CB LYS A 33 -7.305 6.020 -9.388 1.00 0.00 C ATOM 517 CG LYS A 33 -6.705 6.495 -10.708 1.00 0.00 C ATOM 518 CD LYS A 33 -7.002 5.518 -11.844 1.00 0.00 C ATOM 519 CE LYS A 33 -6.380 4.146 -11.594 1.00 0.00 C ATOM 520 NZ LYS A 33 -4.903 4.223 -11.426 1.00 0.00 N ATOM 0 H LYS A 33 -8.134 5.504 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.797 6.805 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.022 4.979 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.392 6.046 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.106 7.477 -10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.627 6.609 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.081 5.412 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.620 5.924 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.823 3.705 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.616 3.484 -12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.507 3.262 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.489 4.742 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.680 4.719 -10.540 1.00 0.00 H new ATOM 534 N THR A 34 -8.494 8.666 -7.916 1.00 0.00 N ATOM 535 CA THR A 34 -9.006 10.020 -8.137 1.00 0.00 C ATOM 536 C THR A 34 -8.249 11.050 -7.293 1.00 0.00 C ATOM 537 O THR A 34 -8.270 12.245 -7.596 1.00 0.00 O ATOM 538 CB THR A 34 -10.528 10.125 -7.848 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.053 11.339 -8.410 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.823 10.100 -6.350 1.00 0.00 C ATOM 0 H THR A 34 -9.137 8.043 -7.427 1.00 0.00 H new ATOM 0 HA THR A 34 -8.844 10.239 -9.192 1.00 0.00 H new ATOM 0 HB THR A 34 -11.007 9.260 -8.307 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.414 12.068 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.898 10.176 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.457 9.166 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.324 10.940 -5.867 1.00 0.00 H new ATOM 548 N GLU A 35 -7.590 10.588 -6.229 1.00 0.00 N ATOM 549 CA GLU A 35 -6.791 11.470 -5.375 1.00 0.00 C ATOM 550 C GLU A 35 -5.299 11.263 -5.640 1.00 0.00 C ATOM 551 O GLU A 35 -4.453 11.934 -5.045 1.00 0.00 O ATOM 552 CB GLU A 35 -7.128 11.233 -3.895 1.00 0.00 C ATOM 553 CG GLU A 35 -6.919 9.798 -3.427 1.00 0.00 C ATOM 554 CD GLU A 35 -7.332 9.587 -1.979 1.00 0.00 C ATOM 555 OE1 GLU A 35 -6.520 9.887 -1.077 1.00 0.00 O ATOM 556 OE2 GLU A 35 -8.472 9.132 -1.740 1.00 0.00 O ATOM 0 H GLU A 35 -7.593 9.610 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.035 12.505 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.514 11.895 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.167 11.512 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.491 9.125 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.869 9.532 -3.543 1.00 0.00 H new ATOM 563 N PHE A 36 -4.995 10.329 -6.544 1.00 0.00 N ATOM 564 CA PHE A 36 -3.622 10.061 -6.987 1.00 0.00 C ATOM 565 C PHE A 36 -2.721 9.597 -5.839 1.00 0.00 C ATOM 566 O PHE A 36 -1.496 9.631 -5.950 1.00 0.00 O ATOM 567 CB PHE A 36 -3.027 11.301 -7.678 1.00 0.00 C ATOM 568 CG PHE A 36 -3.730 11.669 -8.963 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.329 11.115 -10.172 1.00 0.00 C ATOM 570 CD2 PHE A 36 -4.794 12.561 -8.962 1.00 0.00 C ATOM 571 CE1 PHE A 36 -3.973 11.444 -11.350 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.442 12.892 -10.139 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.030 12.333 -11.333 1.00 0.00 C ATOM 0 H PHE A 36 -5.694 9.736 -6.991 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.669 9.243 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.074 12.147 -6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.973 11.119 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.504 10.419 -10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.120 13.002 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.650 11.006 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.269 13.587 -10.124 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.534 12.591 -12.253 1.00 0.00 H new ATOM 583 N SER A 37 -3.329 9.130 -4.751 1.00 0.00 N ATOM 584 CA SER A 37 -2.573 8.582 -3.625 1.00 0.00 C ATOM 585 C SER A 37 -2.236 7.111 -3.888 1.00 0.00 C ATOM 586 O SER A 37 -1.623 6.442 -3.058 1.00 0.00 O ATOM 587 CB SER A 37 -3.382 8.723 -2.331 1.00 0.00 C ATOM 588 OG SER A 37 -3.796 10.067 -2.133 1.00 0.00 O ATOM 0 H SER A 37 -4.341 9.120 -4.624 1.00 0.00 H new ATOM 0 HA SER A 37 -1.642 9.139 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.255 8.072 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.779 8.396 -1.484 1.00 0.00 H new ATOM 0 HG SER A 37 -4.710 10.079 -1.779 1.00 0.00 H new ATOM 594 N GLU A 38 -2.625 6.641 -5.076 1.00 0.00 N ATOM 595 CA GLU A 38 -2.446 5.249 -5.499 1.00 0.00 C ATOM 596 C GLU A 38 -1.007 4.760 -5.327 1.00 0.00 C ATOM 597 O GLU A 38 -0.765 3.556 -5.234 1.00 0.00 O ATOM 598 CB GLU A 38 -2.863 5.108 -6.967 1.00 0.00 C ATOM 599 CG GLU A 38 -2.168 6.109 -7.889 1.00 0.00 C ATOM 600 CD GLU A 38 -2.477 5.877 -9.357 1.00 0.00 C ATOM 601 OE1 GLU A 38 -3.658 5.961 -9.742 1.00 0.00 O ATOM 602 OE2 GLU A 38 -1.537 5.611 -10.137 1.00 0.00 O ATOM 0 H GLU A 38 -3.079 7.223 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.075 4.630 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.640 4.096 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.942 5.240 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.472 7.119 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.091 6.048 -7.736 1.00 0.00 H new ATOM 609 N GLU A 39 -0.057 5.692 -5.275 1.00 0.00 N ATOM 610 CA GLU A 39 1.359 5.343 -5.185 1.00 0.00 C ATOM 611 C GLU A 39 1.661 4.498 -3.947 1.00 0.00 C ATOM 612 O GLU A 39 2.711 3.865 -3.872 1.00 0.00 O ATOM 613 CB GLU A 39 2.233 6.599 -5.183 1.00 0.00 C ATOM 614 CG GLU A 39 2.067 7.464 -6.427 1.00 0.00 C ATOM 615 CD GLU A 39 3.242 8.402 -6.628 1.00 0.00 C ATOM 616 OE1 GLU A 39 3.377 9.373 -5.855 1.00 0.00 O ATOM 617 OE2 GLU A 39 4.068 8.141 -7.527 1.00 0.00 O ATOM 0 H GLU A 39 -0.243 6.695 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 39 1.595 4.747 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.994 7.195 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.278 6.303 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.961 6.823 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.149 8.046 -6.344 1.00 0.00 H new ATOM 624 N ASN A 40 0.749 4.496 -2.978 1.00 0.00 N ATOM 625 CA ASN A 40 0.890 3.645 -1.797 1.00 0.00 C ATOM 626 C ASN A 40 0.750 2.171 -2.192 1.00 0.00 C ATOM 627 O ASN A 40 1.487 1.304 -1.708 1.00 0.00 O ATOM 628 CB ASN A 40 -0.132 4.028 -0.708 1.00 0.00 C ATOM 629 CG ASN A 40 -1.566 4.124 -1.213 1.00 0.00 C ATOM 630 OD1 ASN A 40 -1.953 3.459 -2.168 1.00 0.00 O ATOM 631 ND2 ASN A 40 -2.365 4.963 -0.569 1.00 0.00 N ATOM 0 H ASN A 40 -0.093 5.072 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 40 1.884 3.799 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.088 3.290 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.155 4.986 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.335 5.071 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.009 5.501 0.222 1.00 0.00 H new ATOM 638 N ILE A 41 -0.179 1.907 -3.104 1.00 0.00 N ATOM 639 CA ILE A 41 -0.369 0.574 -3.656 1.00 0.00 C ATOM 640 C ILE A 41 0.862 0.171 -4.460 1.00 0.00 C ATOM 641 O ILE A 41 1.399 -0.928 -4.292 1.00 0.00 O ATOM 642 CB ILE A 41 -1.642 0.512 -4.543 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.907 0.609 -3.672 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.660 -0.755 -5.401 1.00 0.00 C ATOM 645 CD1 ILE A 41 -4.202 0.606 -4.461 1.00 0.00 C ATOM 0 H ILE A 41 -0.818 2.608 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.504 -0.127 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.626 1.365 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.918 -0.226 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.858 1.522 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.564 -0.769 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.784 -0.767 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.645 -1.632 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.046 0.677 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.215 1.457 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.277 -0.318 -5.034 1.00 0.00 H new ATOM 657 N GLU A 42 1.320 1.082 -5.317 1.00 0.00 N ATOM 658 CA GLU A 42 2.538 0.863 -6.093 1.00 0.00 C ATOM 659 C GLU A 42 3.761 0.766 -5.176 1.00 0.00 C ATOM 660 O GLU A 42 4.770 0.155 -5.533 1.00 0.00 O ATOM 661 CB GLU A 42 2.732 1.976 -7.136 1.00 0.00 C ATOM 662 CG GLU A 42 1.954 1.759 -8.434 1.00 0.00 C ATOM 663 CD GLU A 42 0.449 1.668 -8.237 1.00 0.00 C ATOM 664 OE1 GLU A 42 -0.185 2.717 -8.002 1.00 0.00 O ATOM 665 OE2 GLU A 42 -0.111 0.553 -8.351 1.00 0.00 O ATOM 0 H GLU A 42 0.866 1.978 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 42 2.432 -0.085 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.428 2.927 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.793 2.058 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.173 2.578 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.305 0.843 -8.909 1.00 0.00 H new ATOM 672 N PHE A 43 3.654 1.357 -3.990 1.00 0.00 N ATOM 673 CA PHE A 43 4.737 1.341 -3.011 1.00 0.00 C ATOM 674 C PHE A 43 5.059 -0.095 -2.593 1.00 0.00 C ATOM 675 O PHE A 43 6.163 -0.595 -2.843 1.00 0.00 O ATOM 676 CB PHE A 43 4.352 2.188 -1.787 1.00 0.00 C ATOM 677 CG PHE A 43 5.459 2.395 -0.782 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.371 3.430 -0.940 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.579 1.567 0.327 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.378 3.632 -0.016 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.583 1.768 1.254 1.00 0.00 C ATOM 682 CZ PHE A 43 7.484 2.801 1.083 1.00 0.00 C ATOM 0 H PHE A 43 2.820 1.857 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 43 5.629 1.771 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.008 3.163 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.510 1.712 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.292 4.085 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.879 0.756 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.082 4.439 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.664 1.118 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.270 2.959 1.807 1.00 0.00 H new ATOM 692 N TRP A 44 4.092 -0.776 -1.976 1.00 0.00 N ATOM 693 CA TRP A 44 4.337 -2.138 -1.499 1.00 0.00 C ATOM 694 C TRP A 44 4.172 -3.184 -2.607 1.00 0.00 C ATOM 695 O TRP A 44 4.503 -4.354 -2.405 1.00 0.00 O ATOM 696 CB TRP A 44 3.496 -2.495 -0.256 1.00 0.00 C ATOM 697 CG TRP A 44 2.120 -1.899 -0.198 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.716 -0.871 0.608 1.00 0.00 C ATOM 699 CD2 TRP A 44 0.964 -2.302 -0.945 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.386 -0.614 0.412 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.100 -1.474 -0.540 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.726 -3.279 -1.917 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.381 -1.596 -1.072 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.545 -3.398 -2.444 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.584 -2.560 -2.022 1.00 0.00 C ATOM 0 H TRP A 44 3.154 -0.418 -1.798 1.00 0.00 H new ATOM 0 HA TRP A 44 5.382 -2.159 -1.189 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.403 -3.580 -0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.044 -2.180 0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.354 -0.339 1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.156 0.102 0.896 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.522 -3.929 -2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.185 -0.953 -0.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.741 -4.150 -3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.566 -2.677 -2.455 1.00 0.00 H new ATOM 716 N ILE A 45 3.686 -2.781 -3.784 1.00 0.00 N ATOM 717 CA ILE A 45 3.685 -3.693 -4.930 1.00 0.00 C ATOM 718 C ILE A 45 5.102 -3.769 -5.499 1.00 0.00 C ATOM 719 O ILE A 45 5.521 -4.799 -6.036 1.00 0.00 O ATOM 720 CB ILE A 45 2.675 -3.283 -6.045 1.00 0.00 C ATOM 721 CG1 ILE A 45 2.163 -4.533 -6.788 1.00 0.00 C ATOM 722 CG2 ILE A 45 3.307 -2.308 -7.039 1.00 0.00 C ATOM 723 CD1 ILE A 45 1.127 -4.234 -7.853 1.00 0.00 C ATOM 0 H ILE A 45 3.298 -1.855 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 45 3.358 -4.670 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 45 1.835 -2.781 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.009 -5.040 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.735 -5.225 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.576 -2.043 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.626 -1.408 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.170 -2.778 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.817 -5.164 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.262 -3.755 -7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.556 -3.568 -8.601 1.00 0.00 H new ATOM 735 N ALA A 46 5.843 -2.667 -5.359 1.00 0.00 N ATOM 736 CA ALA A 46 7.253 -2.628 -5.732 1.00 0.00 C ATOM 737 C ALA A 46 8.071 -3.446 -4.739 1.00 0.00 C ATOM 738 O ALA A 46 9.052 -4.098 -5.105 1.00 0.00 O ATOM 739 CB ALA A 46 7.754 -1.188 -5.785 1.00 0.00 C ATOM 0 H ALA A 46 5.484 -1.787 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 46 7.369 -3.061 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.807 -1.179 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.178 -0.629 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.635 -0.725 -4.805 1.00 0.00 H new ATOM 745 N CYS A 47 7.653 -3.403 -3.474 1.00 0.00 N ATOM 746 CA CYS A 47 8.261 -4.225 -2.431 1.00 0.00 C ATOM 747 C CYS A 47 8.031 -5.709 -2.729 1.00 0.00 C ATOM 748 O CYS A 47 8.877 -6.555 -2.433 1.00 0.00 O ATOM 749 CB CYS A 47 7.685 -3.853 -1.059 1.00 0.00 C ATOM 750 SG CYS A 47 7.925 -2.117 -0.609 1.00 0.00 S ATOM 0 H CYS A 47 6.894 -2.805 -3.147 1.00 0.00 H new ATOM 0 HA CYS A 47 9.335 -4.038 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.618 -4.076 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.148 -4.482 -0.299 1.00 0.00 H new ATOM 0 HG CYS A 47 7.318 -1.357 -1.472 1.00 0.00 H new ATOM 756 N GLU A 48 6.878 -6.015 -3.326 1.00 0.00 N ATOM 757 CA GLU A 48 6.594 -7.366 -3.800 1.00 0.00 C ATOM 758 C GLU A 48 7.597 -7.713 -4.901 1.00 0.00 C ATOM 759 O GLU A 48 8.286 -8.734 -4.829 1.00 0.00 O ATOM 760 CB GLU A 48 5.141 -7.451 -4.312 1.00 0.00 C ATOM 761 CG GLU A 48 4.586 -8.872 -4.486 1.00 0.00 C ATOM 762 CD GLU A 48 5.154 -9.623 -5.684 1.00 0.00 C ATOM 763 OE1 GLU A 48 4.892 -9.207 -6.835 1.00 0.00 O ATOM 764 OE2 GLU A 48 5.837 -10.649 -5.488 1.00 0.00 O ATOM 0 H GLU A 48 6.128 -5.344 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 48 6.696 -8.085 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.497 -6.910 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.081 -6.936 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.793 -9.444 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.502 -8.817 -4.587 1.00 0.00 H new ATOM 771 N ASP A 49 7.712 -6.817 -5.888 1.00 0.00 N ATOM 772 CA ASP A 49 8.687 -6.975 -6.972 1.00 0.00 C ATOM 773 C ASP A 49 10.075 -7.260 -6.408 1.00 0.00 C ATOM 774 O ASP A 49 10.870 -7.990 -7.005 1.00 0.00 O ATOM 775 CB ASP A 49 8.732 -5.722 -7.864 1.00 0.00 C ATOM 776 CG ASP A 49 9.816 -5.804 -8.935 1.00 0.00 C ATOM 777 OD1 ASP A 49 9.654 -6.582 -9.900 1.00 0.00 O ATOM 778 OD2 ASP A 49 10.846 -5.102 -8.812 1.00 0.00 O ATOM 0 H ASP A 49 7.141 -5.975 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 49 8.371 -7.822 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.762 -5.586 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.906 -4.844 -7.242 1.00 0.00 H new ATOM 783 N PHE A 50 10.341 -6.700 -5.238 1.00 0.00 N ATOM 784 CA PHE A 50 11.628 -6.853 -4.588 1.00 0.00 C ATOM 785 C PHE A 50 11.830 -8.277 -4.071 1.00 0.00 C ATOM 786 O PHE A 50 12.901 -8.853 -4.248 1.00 0.00 O ATOM 787 CB PHE A 50 11.762 -5.833 -3.444 1.00 0.00 C ATOM 788 CG PHE A 50 13.027 -5.972 -2.630 1.00 0.00 C ATOM 789 CD1 PHE A 50 14.207 -5.372 -3.041 1.00 0.00 C ATOM 790 CD2 PHE A 50 13.032 -6.702 -1.448 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.362 -5.498 -2.296 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.186 -6.828 -0.701 1.00 0.00 C ATOM 793 CZ PHE A 50 15.351 -6.225 -1.125 1.00 0.00 C ATOM 0 H PHE A 50 9.674 -6.131 -4.717 1.00 0.00 H new ATOM 0 HA PHE A 50 12.407 -6.663 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.723 -4.828 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.904 -5.935 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.223 -4.799 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.123 -7.176 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.274 -5.027 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.176 -7.399 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.254 -6.322 -0.540 1.00 0.00 H new ATOM 803 N LYS A 51 10.805 -8.856 -3.444 1.00 0.00 N ATOM 804 CA LYS A 51 10.937 -10.200 -2.871 1.00 0.00 C ATOM 805 C LYS A 51 11.063 -11.253 -3.976 1.00 0.00 C ATOM 806 O LYS A 51 11.475 -12.388 -3.725 1.00 0.00 O ATOM 807 CB LYS A 51 9.756 -10.545 -1.943 1.00 0.00 C ATOM 808 CG LYS A 51 8.421 -10.758 -2.657 1.00 0.00 C ATOM 809 CD LYS A 51 7.381 -11.383 -1.728 1.00 0.00 C ATOM 810 CE LYS A 51 6.072 -11.689 -2.450 1.00 0.00 C ATOM 811 NZ LYS A 51 6.282 -12.540 -3.652 1.00 0.00 N ATOM 0 H LYS A 51 9.888 -8.426 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 51 11.847 -10.206 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.002 -11.449 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.638 -9.743 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.050 -9.803 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.570 -11.402 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.783 -12.303 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.186 -10.706 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.390 -12.192 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.595 -10.755 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.528 -13.254 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.260 -11.946 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.205 -13.015 -3.584 1.00 0.00 H new ATOM 825 N LYS A 52 10.697 -10.867 -5.198 1.00 0.00 N ATOM 826 CA LYS A 52 10.790 -11.762 -6.358 1.00 0.00 C ATOM 827 C LYS A 52 12.238 -11.905 -6.834 1.00 0.00 C ATOM 828 O LYS A 52 12.554 -12.796 -7.626 1.00 0.00 O ATOM 829 CB LYS A 52 9.934 -11.220 -7.509 1.00 0.00 C ATOM 830 CG LYS A 52 8.591 -10.678 -7.057 1.00 0.00 C ATOM 831 CD LYS A 52 7.840 -9.992 -8.193 1.00 0.00 C ATOM 832 CE LYS A 52 7.042 -10.974 -9.019 1.00 0.00 C ATOM 833 NZ LYS A 52 5.896 -11.527 -8.246 1.00 0.00 N ATOM 0 H LYS A 52 10.332 -9.939 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 52 10.425 -12.742 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.484 -10.429 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.771 -12.015 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.985 -11.494 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.742 -9.970 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.171 -9.237 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.551 -9.472 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.672 -10.480 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.689 -11.788 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.319 -12.132 -8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.255 -12.090 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.312 -10.746 -7.884 1.00 0.00 H new ATOM 847 N SER A 53 13.108 -11.019 -6.353 1.00 0.00 N ATOM 848 CA SER A 53 14.499 -10.982 -6.794 1.00 0.00 C ATOM 849 C SER A 53 15.196 -12.318 -6.541 1.00 0.00 C ATOM 850 O SER A 53 15.868 -12.848 -7.424 1.00 0.00 O ATOM 851 CB SER A 53 15.248 -9.858 -6.076 1.00 0.00 C ATOM 852 OG SER A 53 15.223 -10.047 -4.673 1.00 0.00 O ATOM 0 H SER A 53 12.872 -10.314 -5.654 1.00 0.00 H new ATOM 0 HA SER A 53 14.507 -10.793 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.281 -9.824 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.796 -8.898 -6.325 1.00 0.00 H new ATOM 0 HG SER A 53 14.326 -9.848 -4.332 1.00 0.00 H new ATOM 858 N LYS A 54 15.025 -12.838 -5.320 1.00 0.00 N ATOM 859 CA LYS A 54 15.621 -14.111 -4.867 1.00 0.00 C ATOM 860 C LYS A 54 17.114 -14.227 -5.217 1.00 0.00 C ATOM 861 O LYS A 54 17.685 -15.320 -5.184 1.00 0.00 O ATOM 862 CB LYS A 54 14.812 -15.342 -5.375 1.00 0.00 C ATOM 863 CG LYS A 54 14.601 -15.445 -6.894 1.00 0.00 C ATOM 864 CD LYS A 54 15.863 -15.880 -7.645 1.00 0.00 C ATOM 865 CE LYS A 54 15.699 -15.745 -9.155 1.00 0.00 C ATOM 866 NZ LYS A 54 15.403 -14.341 -9.550 1.00 0.00 N ATOM 0 H LYS A 54 14.460 -12.382 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 54 15.560 -14.107 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.320 -16.246 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.834 -15.329 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.801 -16.157 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.272 -14.478 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.708 -15.276 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.095 -16.915 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.610 -16.079 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.894 -16.397 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.949 -14.097 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.387 -14.244 -9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.665 -13.700 -8.774 1.00 0.00 H new ATOM 880 N GLY A 55 17.748 -13.093 -5.504 1.00 0.00 N ATOM 881 CA GLY A 55 19.154 -13.076 -5.868 1.00 0.00 C ATOM 882 C GLY A 55 19.923 -12.054 -5.051 1.00 0.00 C ATOM 883 O GLY A 55 19.574 -10.872 -5.075 1.00 0.00 O ATOM 0 H GLY A 55 17.305 -12.174 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.584 -14.066 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.254 -12.847 -6.929 1.00 0.00 H new ATOM 887 N PRO A 56 20.984 -12.475 -4.330 1.00 0.00 N ATOM 888 CA PRO A 56 21.725 -11.609 -3.398 1.00 0.00 C ATOM 889 C PRO A 56 22.110 -10.263 -4.016 1.00 0.00 C ATOM 890 O PRO A 56 21.818 -9.208 -3.452 1.00 0.00 O ATOM 891 CB PRO A 56 22.980 -12.434 -3.040 1.00 0.00 C ATOM 892 CG PRO A 56 22.995 -13.579 -4.003 1.00 0.00 C ATOM 893 CD PRO A 56 21.560 -13.828 -4.370 1.00 0.00 C ATOM 0 HA PRO A 56 21.120 -11.347 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.884 -11.832 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.936 -12.788 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.588 -13.339 -4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.441 -14.464 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.466 -14.280 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.071 -14.499 -3.664 1.00 0.00 H new ATOM 901 N GLN A 57 22.749 -10.298 -5.183 1.00 0.00 N ATOM 902 CA GLN A 57 23.177 -9.069 -5.851 1.00 0.00 C ATOM 903 C GLN A 57 21.974 -8.202 -6.233 1.00 0.00 C ATOM 904 O GLN A 57 22.008 -6.978 -6.087 1.00 0.00 O ATOM 905 CB GLN A 57 24.036 -9.380 -7.088 1.00 0.00 C ATOM 906 CG GLN A 57 23.352 -10.263 -8.128 1.00 0.00 C ATOM 907 CD GLN A 57 24.215 -10.484 -9.362 1.00 0.00 C ATOM 908 OE1 GLN A 57 25.017 -9.626 -9.735 1.00 0.00 O ATOM 909 NE2 GLN A 57 24.062 -11.634 -9.999 1.00 0.00 N ATOM 0 H GLN A 57 22.981 -11.156 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 57 23.790 -8.507 -5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 57 24.324 -8.441 -7.560 1.00 0.00 H new ATOM 0 HB3 GLN A 57 24.955 -9.868 -6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 57 23.111 -11.227 -7.680 1.00 0.00 H new ATOM 0 HG3 GLN A 57 22.409 -9.805 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 57 23.387 -12.319 -9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 57 24.619 -11.835 -10.830 1.00 0.00 H new ATOM 918 N GLN A 58 20.900 -8.847 -6.690 1.00 0.00 N ATOM 919 CA GLN A 58 19.701 -8.131 -7.122 1.00 0.00 C ATOM 920 C GLN A 58 19.008 -7.479 -5.923 1.00 0.00 C ATOM 921 O GLN A 58 18.324 -6.466 -6.068 1.00 0.00 O ATOM 922 CB GLN A 58 18.743 -9.084 -7.856 1.00 0.00 C ATOM 923 CG GLN A 58 17.511 -8.400 -8.451 1.00 0.00 C ATOM 924 CD GLN A 58 17.861 -7.308 -9.454 1.00 0.00 C ATOM 925 OE1 GLN A 58 18.023 -6.141 -9.093 1.00 0.00 O ATOM 926 NE2 GLN A 58 17.970 -7.675 -10.720 1.00 0.00 N ATOM 0 H GLN A 58 20.837 -9.862 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 58 19.995 -7.343 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.289 -9.584 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.415 -9.857 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.888 -9.149 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.917 -7.968 -7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.829 -8.651 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.195 -6.982 -11.434 1.00 0.00 H new ATOM 935 N ILE A 59 19.207 -8.060 -4.737 1.00 0.00 N ATOM 936 CA ILE A 59 18.687 -7.485 -3.496 1.00 0.00 C ATOM 937 C ILE A 59 19.185 -6.051 -3.331 1.00 0.00 C ATOM 938 O ILE A 59 18.403 -5.130 -3.102 1.00 0.00 O ATOM 939 CB ILE A 59 19.112 -8.322 -2.255 1.00 0.00 C ATOM 940 CG1 ILE A 59 18.500 -9.733 -2.309 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.719 -7.618 -0.954 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.988 -9.750 -2.233 1.00 0.00 C ATOM 0 H ILE A 59 19.725 -8.929 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 59 17.599 -7.494 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 59 20.198 -8.417 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.813 -10.219 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.902 -10.324 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.028 -8.226 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.210 -6.646 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.638 -7.480 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 59 16.633 -10.780 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.666 -9.295 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.575 -9.188 -3.071 1.00 0.00 H new ATOM 954 N HIS A 60 20.495 -5.871 -3.486 1.00 0.00 N ATOM 955 CA HIS A 60 21.122 -4.561 -3.302 1.00 0.00 C ATOM 956 C HIS A 60 20.622 -3.577 -4.363 1.00 0.00 C ATOM 957 O HIS A 60 20.441 -2.388 -4.091 1.00 0.00 O ATOM 958 CB HIS A 60 22.657 -4.674 -3.374 1.00 0.00 C ATOM 959 CG HIS A 60 23.254 -5.631 -2.379 1.00 0.00 C ATOM 960 ND1 HIS A 60 23.817 -5.235 -1.184 1.00 0.00 N ATOM 961 CD2 HIS A 60 23.381 -6.979 -2.417 1.00 0.00 C ATOM 962 CE1 HIS A 60 24.259 -6.297 -0.535 1.00 0.00 C ATOM 963 NE2 HIS A 60 24.006 -7.366 -1.261 1.00 0.00 N ATOM 0 H HIS A 60 21.145 -6.616 -3.739 1.00 0.00 H new ATOM 0 HA HIS A 60 20.847 -4.190 -2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.940 -4.989 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 60 23.090 -3.686 -3.216 1.00 0.00 H new ATOM 0 HD1 HIS A 60 23.882 -4.272 -0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.050 -7.630 -3.213 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.746 -6.290 0.429 1.00 0.00 H new ATOM 972 N LEU A 61 20.384 -4.091 -5.568 1.00 0.00 N ATOM 973 CA LEU A 61 19.978 -3.262 -6.701 1.00 0.00 C ATOM 974 C LEU A 61 18.528 -2.789 -6.560 1.00 0.00 C ATOM 975 O LEU A 61 18.249 -1.588 -6.630 1.00 0.00 O ATOM 976 CB LEU A 61 20.161 -4.034 -8.015 1.00 0.00 C ATOM 977 CG LEU A 61 21.603 -4.478 -8.316 1.00 0.00 C ATOM 978 CD1 LEU A 61 21.662 -5.291 -9.606 1.00 0.00 C ATOM 979 CD2 LEU A 61 22.533 -3.267 -8.396 1.00 0.00 C ATOM 0 H LEU A 61 20.466 -5.084 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 61 20.616 -2.378 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.523 -4.917 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.811 -3.410 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 61 21.941 -5.116 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 61 22.691 -5.594 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.035 -6.177 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.302 -4.683 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 61 23.548 -3.601 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 61 22.196 -2.601 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.519 -2.734 -7.445 1.00 0.00 H new ATOM 991 N LYS A 62 17.605 -3.731 -6.370 1.00 0.00 N ATOM 992 CA LYS A 62 16.187 -3.393 -6.234 1.00 0.00 C ATOM 993 C LYS A 62 15.949 -2.544 -4.985 1.00 0.00 C ATOM 994 O LYS A 62 15.110 -1.641 -4.992 1.00 0.00 O ATOM 995 CB LYS A 62 15.317 -4.659 -6.204 1.00 0.00 C ATOM 996 CG LYS A 62 15.173 -5.352 -7.560 1.00 0.00 C ATOM 997 CD LYS A 62 14.556 -4.421 -8.605 1.00 0.00 C ATOM 998 CE LYS A 62 14.307 -5.128 -9.936 1.00 0.00 C ATOM 999 NZ LYS A 62 13.278 -6.196 -9.821 1.00 0.00 N ATOM 0 H LYS A 62 17.811 -4.728 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 62 15.898 -2.807 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.745 -5.364 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.325 -4.396 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.151 -5.688 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.551 -6.241 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.614 -4.025 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.218 -3.570 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.988 -4.397 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.240 -5.562 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.043 -6.556 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.648 -6.973 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.422 -5.807 -9.377 1.00 0.00 H new ATOM 1013 N ALA A 63 16.702 -2.828 -3.922 1.00 0.00 N ATOM 1014 CA ALA A 63 16.620 -2.038 -2.696 1.00 0.00 C ATOM 1015 C ALA A 63 16.990 -0.585 -2.980 1.00 0.00 C ATOM 1016 O ALA A 63 16.269 0.335 -2.597 1.00 0.00 O ATOM 1017 CB ALA A 63 17.530 -2.620 -1.620 1.00 0.00 C ATOM 0 H ALA A 63 17.372 -3.596 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 63 15.594 -2.072 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.455 -2.017 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.226 -3.644 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.561 -2.616 -1.974 1.00 0.00 H new ATOM 1023 N LYS A 64 18.116 -0.399 -3.672 1.00 0.00 N ATOM 1024 CA LYS A 64 18.580 0.929 -4.077 1.00 0.00 C ATOM 1025 C LYS A 64 17.515 1.639 -4.917 1.00 0.00 C ATOM 1026 O LYS A 64 17.277 2.840 -4.753 1.00 0.00 O ATOM 1027 CB LYS A 64 19.895 0.800 -4.867 1.00 0.00 C ATOM 1028 CG LYS A 64 20.365 2.091 -5.542 1.00 0.00 C ATOM 1029 CD LYS A 64 20.649 3.212 -4.543 1.00 0.00 C ATOM 1030 CE LYS A 64 21.834 2.899 -3.635 1.00 0.00 C ATOM 1031 NZ LYS A 64 22.169 4.048 -2.749 1.00 0.00 N ATOM 0 H LYS A 64 18.728 -1.160 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 64 18.760 1.528 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.677 0.454 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.771 0.032 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.267 1.887 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.605 2.424 -6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.846 4.137 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.763 3.383 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.604 2.025 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.701 2.644 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.202 4.152 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.755 4.919 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.784 3.877 -1.798 1.00 0.00 H new ATOM 1045 N ALA A 65 16.870 0.880 -5.800 1.00 0.00 N ATOM 1046 CA ALA A 65 15.828 1.419 -6.669 1.00 0.00 C ATOM 1047 C ALA A 65 14.683 2.005 -5.844 1.00 0.00 C ATOM 1048 O ALA A 65 14.445 3.215 -5.873 1.00 0.00 O ATOM 1049 CB ALA A 65 15.312 0.338 -7.612 1.00 0.00 C ATOM 0 H ALA A 65 17.052 -0.115 -5.932 1.00 0.00 H new ATOM 0 HA ALA A 65 16.260 2.222 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.536 0.755 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.133 -0.030 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.898 -0.485 -7.030 1.00 0.00 H new ATOM 1055 N ILE A 66 14.001 1.142 -5.089 1.00 0.00 N ATOM 1056 CA ILE A 66 12.870 1.558 -4.254 1.00 0.00 C ATOM 1057 C ILE A 66 13.295 2.662 -3.287 1.00 0.00 C ATOM 1058 O ILE A 66 12.535 3.595 -3.009 1.00 0.00 O ATOM 1059 CB ILE A 66 12.298 0.364 -3.445 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.871 -0.774 -4.389 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.120 0.812 -2.574 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.352 -2.004 -3.670 1.00 0.00 C ATOM 0 H ILE A 66 14.213 0.146 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 66 12.094 1.935 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 66 13.084 -0.010 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.097 -0.404 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.722 -1.059 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.735 -0.041 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.454 1.580 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.331 1.216 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.071 -2.762 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.131 -2.400 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.481 -1.736 -3.073 1.00 0.00 H new ATOM 1074 N TYR A 67 14.524 2.547 -2.793 1.00 0.00 N ATOM 1075 CA TYR A 67 15.083 3.511 -1.855 1.00 0.00 C ATOM 1076 C TYR A 67 15.008 4.935 -2.409 1.00 0.00 C ATOM 1077 O TYR A 67 14.160 5.724 -1.989 1.00 0.00 O ATOM 1078 CB TYR A 67 16.534 3.128 -1.512 1.00 0.00 C ATOM 1079 CG TYR A 67 17.302 4.177 -0.726 1.00 0.00 C ATOM 1080 CD1 TYR A 67 16.707 4.880 0.317 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.627 4.466 -1.037 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.409 5.837 1.021 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.334 5.420 -0.334 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.722 6.104 0.692 1.00 0.00 C ATOM 1085 OH TYR A 67 19.425 7.060 1.391 1.00 0.00 O ATOM 0 H TYR A 67 15.158 1.784 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 67 14.489 3.487 -0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.524 2.201 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.070 2.925 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.680 4.673 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 67 19.111 3.934 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.932 6.375 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.363 5.629 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 67 20.335 7.123 1.033 1.00 0.00 H new ATOM 1095 N GLU A 68 15.863 5.247 -3.375 1.00 0.00 N ATOM 1096 CA GLU A 68 15.991 6.616 -3.870 1.00 0.00 C ATOM 1097 C GLU A 68 14.830 7.017 -4.777 1.00 0.00 C ATOM 1098 O GLU A 68 14.759 8.161 -5.218 1.00 0.00 O ATOM 1099 CB GLU A 68 17.329 6.802 -4.597 1.00 0.00 C ATOM 1100 CG GLU A 68 18.532 6.797 -3.659 1.00 0.00 C ATOM 1101 CD GLU A 68 19.856 7.014 -4.374 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.939 7.926 -5.224 1.00 0.00 O ATOM 1103 OE2 GLU A 68 20.823 6.279 -4.083 1.00 0.00 O ATOM 0 H GLU A 68 16.478 4.574 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 68 15.962 7.274 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.448 6.007 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.309 7.744 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.401 7.576 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.566 5.845 -3.128 1.00 0.00 H new ATOM 1110 N LYS A 69 13.922 6.085 -5.054 1.00 0.00 N ATOM 1111 CA LYS A 69 12.751 6.395 -5.872 1.00 0.00 C ATOM 1112 C LYS A 69 11.553 6.745 -4.989 1.00 0.00 C ATOM 1113 O LYS A 69 10.740 7.603 -5.345 1.00 0.00 O ATOM 1114 CB LYS A 69 12.396 5.214 -6.789 1.00 0.00 C ATOM 1115 CG LYS A 69 11.377 5.559 -7.875 1.00 0.00 C ATOM 1116 CD LYS A 69 11.974 6.469 -8.951 1.00 0.00 C ATOM 1117 CE LYS A 69 13.071 5.764 -9.747 1.00 0.00 C ATOM 1118 NZ LYS A 69 13.698 6.659 -10.757 1.00 0.00 N ATOM 0 H LYS A 69 13.972 5.119 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 69 12.996 7.257 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.307 4.847 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.003 4.400 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.014 4.641 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.516 6.050 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.186 6.795 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.383 7.365 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.837 5.399 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.650 4.892 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.436 6.138 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.974 6.987 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.123 7.478 -10.278 1.00 0.00 H new ATOM 1132 N PHE A 70 11.449 6.088 -3.832 1.00 0.00 N ATOM 1133 CA PHE A 70 10.277 6.237 -2.966 1.00 0.00 C ATOM 1134 C PHE A 70 10.668 6.515 -1.513 1.00 0.00 C ATOM 1135 O PHE A 70 10.196 7.481 -0.911 1.00 0.00 O ATOM 1136 CB PHE A 70 9.406 4.969 -3.020 1.00 0.00 C ATOM 1137 CG PHE A 70 8.914 4.606 -4.402 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.946 5.375 -5.035 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.416 3.493 -5.064 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.493 5.042 -6.297 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.963 3.157 -6.326 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.000 3.932 -6.943 1.00 0.00 C ATOM 0 H PHE A 70 12.159 5.450 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 70 9.714 7.093 -3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.979 4.132 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.545 5.107 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.543 6.243 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.169 2.883 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.742 5.650 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.362 2.289 -6.830 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.644 3.670 -7.929 1.00 0.00 H new ATOM 1152 N ILE A 71 11.529 5.663 -0.958 1.00 0.00 N ATOM 1153 CA ILE A 71 11.855 5.706 0.473 1.00 0.00 C ATOM 1154 C ILE A 71 12.482 7.045 0.862 1.00 0.00 C ATOM 1155 O ILE A 71 12.122 7.648 1.879 1.00 0.00 O ATOM 1156 CB ILE A 71 12.828 4.562 0.866 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.222 3.186 0.534 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.195 4.647 2.349 1.00 0.00 C ATOM 1159 CD1 ILE A 71 10.960 2.860 1.307 1.00 0.00 C ATOM 0 H ILE A 71 12.016 4.932 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 71 10.916 5.580 1.011 1.00 0.00 H new ATOM 0 HB ILE A 71 13.740 4.680 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.002 3.146 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.967 2.416 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.878 3.836 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.678 5.603 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.291 4.563 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.598 1.874 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.176 2.864 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.196 3.606 1.088 1.00 0.00 H new ATOM 1171 N GLN A 72 13.406 7.506 0.034 1.00 0.00 N ATOM 1172 CA GLN A 72 14.169 8.709 0.317 1.00 0.00 C ATOM 1173 C GLN A 72 13.273 9.946 0.237 1.00 0.00 C ATOM 1174 O GLN A 72 12.467 10.076 -0.679 1.00 0.00 O ATOM 1175 CB GLN A 72 15.340 8.807 -0.674 1.00 0.00 C ATOM 1176 CG GLN A 72 16.208 10.046 -0.502 1.00 0.00 C ATOM 1177 CD GLN A 72 16.720 10.215 0.919 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.073 10.860 1.743 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.877 9.639 1.213 1.00 0.00 N ATOM 0 H GLN A 72 13.647 7.058 -0.850 1.00 0.00 H new ATOM 0 HA GLN A 72 14.566 8.659 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.967 7.922 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.943 8.795 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.056 9.987 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.633 10.928 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.381 9.113 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.263 9.722 2.153 1.00 0.00 H new ATOM 1188 N THR A 73 13.402 10.845 1.209 1.00 0.00 N ATOM 1189 CA THR A 73 12.652 12.095 1.196 1.00 0.00 C ATOM 1190 C THR A 73 13.187 12.995 0.083 1.00 0.00 C ATOM 1191 O THR A 73 12.448 13.757 -0.540 1.00 0.00 O ATOM 1192 CB THR A 73 12.748 12.823 2.556 1.00 0.00 C ATOM 1193 OG1 THR A 73 12.432 11.909 3.616 1.00 0.00 O ATOM 1194 CG2 THR A 73 11.795 14.017 2.617 1.00 0.00 C ATOM 0 H THR A 73 14.018 10.730 2.014 1.00 0.00 H new ATOM 0 HA THR A 73 11.602 11.866 1.014 1.00 0.00 H new ATOM 0 HB THR A 73 13.768 13.191 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.495 12.372 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.887 14.507 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.047 14.725 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.770 13.672 2.481 1.00 0.00 H new ATOM 1202 N ASP A 74 14.485 12.865 -0.174 1.00 0.00 N ATOM 1203 CA ASP A 74 15.152 13.597 -1.250 1.00 0.00 C ATOM 1204 C ASP A 74 14.980 12.873 -2.589 1.00 0.00 C ATOM 1205 O ASP A 74 15.657 13.191 -3.568 1.00 0.00 O ATOM 1206 CB ASP A 74 16.645 13.771 -0.926 1.00 0.00 C ATOM 1207 CG ASP A 74 16.881 14.677 0.275 1.00 0.00 C ATOM 1208 OD1 ASP A 74 16.611 14.250 1.419 1.00 0.00 O ATOM 1209 OD2 ASP A 74 17.325 15.829 0.081 1.00 0.00 O ATOM 0 H ASP A 74 15.104 12.251 0.355 1.00 0.00 H new ATOM 0 HA ASP A 74 14.691 14.581 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.087 12.794 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.156 14.185 -1.795 1.00 0.00 H new ATOM 1214 N ALA A 75 14.066 11.902 -2.625 1.00 0.00 N ATOM 1215 CA ALA A 75 13.740 11.186 -3.858 1.00 0.00 C ATOM 1216 C ALA A 75 13.133 12.150 -4.883 1.00 0.00 C ATOM 1217 O ALA A 75 12.633 13.213 -4.506 1.00 0.00 O ATOM 1218 CB ALA A 75 12.781 10.039 -3.556 1.00 0.00 C ATOM 0 H ALA A 75 13.537 11.593 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 75 14.653 10.768 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.543 9.511 -4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.249 9.349 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.865 10.436 -3.119 1.00 0.00 H new ATOM 1224 N PRO A 76 13.145 11.788 -6.188 1.00 0.00 N ATOM 1225 CA PRO A 76 12.690 12.677 -7.272 1.00 0.00 C ATOM 1226 C PRO A 76 11.308 13.288 -7.011 1.00 0.00 C ATOM 1227 O PRO A 76 11.015 14.394 -7.467 1.00 0.00 O ATOM 1228 CB PRO A 76 12.663 11.766 -8.520 1.00 0.00 C ATOM 1229 CG PRO A 76 12.849 10.372 -8.011 1.00 0.00 C ATOM 1230 CD PRO A 76 13.607 10.494 -6.717 1.00 0.00 C ATOM 0 HA PRO A 76 13.351 13.537 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.719 11.864 -9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.455 12.036 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.887 9.884 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.401 9.766 -8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.379 9.674 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.685 10.484 -6.877 1.00 0.00 H new ATOM 1238 N LYS A 77 10.460 12.563 -6.283 1.00 0.00 N ATOM 1239 CA LYS A 77 9.129 13.063 -5.928 1.00 0.00 C ATOM 1240 C LYS A 77 8.701 12.563 -4.540 1.00 0.00 C ATOM 1241 O LYS A 77 7.559 12.766 -4.124 1.00 0.00 O ATOM 1242 CB LYS A 77 8.117 12.663 -7.024 1.00 0.00 C ATOM 1243 CG LYS A 77 7.980 11.155 -7.254 1.00 0.00 C ATOM 1244 CD LYS A 77 6.992 10.518 -6.282 1.00 0.00 C ATOM 1245 CE LYS A 77 6.961 9.004 -6.397 1.00 0.00 C ATOM 1246 NZ LYS A 77 6.009 8.417 -5.425 1.00 0.00 N ATOM 0 H LYS A 77 10.668 11.630 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 77 9.159 14.151 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.139 13.066 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.413 13.134 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.651 10.972 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.955 10.681 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.259 10.797 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.994 10.914 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.675 8.718 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.959 8.602 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.787 7.440 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.436 8.418 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.135 8.980 -5.412 1.00 0.00 H new ATOM 1260 N GLU A 78 9.653 11.930 -3.837 1.00 0.00 N ATOM 1261 CA GLU A 78 9.465 11.365 -2.484 1.00 0.00 C ATOM 1262 C GLU A 78 8.159 10.566 -2.314 1.00 0.00 C ATOM 1263 O GLU A 78 7.441 10.283 -3.275 1.00 0.00 O ATOM 1264 CB GLU A 78 9.568 12.460 -1.400 1.00 0.00 C ATOM 1265 CG GLU A 78 8.410 13.456 -1.376 1.00 0.00 C ATOM 1266 CD GLU A 78 8.443 14.367 -0.160 1.00 0.00 C ATOM 1267 OE1 GLU A 78 7.947 13.952 0.909 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.955 15.506 -0.267 1.00 0.00 O ATOM 0 H GLU A 78 10.597 11.792 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 78 10.279 10.652 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.634 11.979 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.497 13.010 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.440 14.063 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.467 12.910 -1.390 1.00 0.00 H new ATOM 1275 N VAL A 79 7.901 10.174 -1.065 1.00 0.00 N ATOM 1276 CA VAL A 79 6.703 9.439 -0.667 1.00 0.00 C ATOM 1277 C VAL A 79 6.433 9.731 0.805 1.00 0.00 C ATOM 1278 O VAL A 79 7.372 9.810 1.606 1.00 0.00 O ATOM 1279 CB VAL A 79 6.843 7.896 -0.858 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.686 7.147 -0.190 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.920 7.526 -2.338 1.00 0.00 C ATOM 0 H VAL A 79 8.533 10.363 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 79 5.883 9.768 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 79 7.774 7.595 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.812 6.075 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.680 7.365 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.742 7.467 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.017 6.445 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.013 7.857 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.785 8.011 -2.790 1.00 0.00 H new ATOM 1291 N ASN A 80 5.170 9.913 1.157 1.00 0.00 N ATOM 1292 CA ASN A 80 4.794 10.218 2.533 1.00 0.00 C ATOM 1293 C ASN A 80 4.996 9.003 3.441 1.00 0.00 C ATOM 1294 O ASN A 80 4.100 8.180 3.627 1.00 0.00 O ATOM 1295 CB ASN A 80 3.349 10.728 2.581 1.00 0.00 C ATOM 1296 CG ASN A 80 3.205 12.062 1.864 1.00 0.00 C ATOM 1297 OD1 ASN A 80 4.101 12.910 1.916 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.099 12.253 1.168 1.00 0.00 N ATOM 0 H ASN A 80 4.385 9.855 0.509 1.00 0.00 H new ATOM 0 HA ASN A 80 5.445 11.008 2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.687 9.994 2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.034 10.836 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.965 13.122 0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.379 11.531 1.147 1.00 0.00 H new ATOM 1305 N LEU A 81 6.212 8.898 3.968 1.00 0.00 N ATOM 1306 CA LEU A 81 6.608 7.829 4.878 1.00 0.00 C ATOM 1307 C LEU A 81 7.362 8.432 6.063 1.00 0.00 C ATOM 1308 O LEU A 81 8.084 9.420 5.903 1.00 0.00 O ATOM 1309 CB LEU A 81 7.478 6.801 4.125 1.00 0.00 C ATOM 1310 CG LEU A 81 8.351 5.873 4.988 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.488 4.895 5.773 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.370 5.132 4.123 1.00 0.00 C ATOM 0 H LEU A 81 6.960 9.563 3.772 1.00 0.00 H new ATOM 0 HA LEU A 81 5.726 7.311 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.821 6.181 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.130 7.343 3.441 1.00 0.00 H new ATOM 0 HG LEU A 81 8.898 6.487 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.126 4.249 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.812 5.448 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.906 4.286 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.977 4.481 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.847 4.532 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.014 5.854 3.620 1.00 0.00 H new ATOM 1324 N ASP A 82 7.177 7.843 7.244 1.00 0.00 N ATOM 1325 CA ASP A 82 7.766 8.356 8.482 1.00 0.00 C ATOM 1326 C ASP A 82 9.281 8.535 8.372 1.00 0.00 C ATOM 1327 O ASP A 82 9.982 7.718 7.763 1.00 0.00 O ATOM 1328 CB ASP A 82 7.434 7.428 9.656 1.00 0.00 C ATOM 1329 CG ASP A 82 8.197 7.795 10.920 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.883 8.836 11.530 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.122 7.048 11.296 1.00 0.00 O ATOM 0 H ASP A 82 6.617 7.000 7.370 1.00 0.00 H new ATOM 0 HA ASP A 82 7.330 9.339 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.363 7.469 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.667 6.400 9.380 1.00 0.00 H new ATOM 1336 N PHE A 83 9.769 9.608 8.989 1.00 0.00 N ATOM 1337 CA PHE A 83 11.180 9.978 8.938 1.00 0.00 C ATOM 1338 C PHE A 83 12.062 8.955 9.658 1.00 0.00 C ATOM 1339 O PHE A 83 13.110 8.559 9.146 1.00 0.00 O ATOM 1340 CB PHE A 83 11.384 11.381 9.541 1.00 0.00 C ATOM 1341 CG PHE A 83 10.837 11.545 10.945 1.00 0.00 C ATOM 1342 CD1 PHE A 83 9.514 11.913 11.150 1.00 0.00 C ATOM 1343 CD2 PHE A 83 11.646 11.337 12.056 1.00 0.00 C ATOM 1344 CE1 PHE A 83 9.010 12.066 12.428 1.00 0.00 C ATOM 1345 CE2 PHE A 83 11.145 11.488 13.336 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.826 11.853 13.521 1.00 0.00 C ATOM 0 H PHE A 83 9.195 10.247 9.540 1.00 0.00 H new ATOM 0 HA PHE A 83 11.481 9.991 7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.450 11.607 9.551 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.908 12.115 8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.870 12.082 10.300 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.679 11.054 11.918 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.978 12.352 12.571 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.785 11.321 14.190 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.433 11.972 14.520 1.00 0.00 H new ATOM 1356 N HIS A 84 11.625 8.507 10.832 1.00 0.00 N ATOM 1357 CA HIS A 84 12.429 7.597 11.647 1.00 0.00 C ATOM 1358 C HIS A 84 12.498 6.219 10.997 1.00 0.00 C ATOM 1359 O HIS A 84 13.489 5.496 11.138 1.00 0.00 O ATOM 1360 CB HIS A 84 11.859 7.496 13.069 1.00 0.00 C ATOM 1361 CG HIS A 84 12.683 6.643 13.987 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.922 7.025 14.456 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.445 5.419 14.514 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.410 6.074 15.228 1.00 0.00 C ATOM 1365 NE2 HIS A 84 13.532 5.087 15.282 1.00 0.00 N ATOM 0 H HIS A 84 10.724 8.757 11.240 1.00 0.00 H new ATOM 0 HA HIS A 84 13.440 7.998 11.713 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.779 8.498 13.491 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.849 7.090 13.018 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.563 4.816 14.359 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.365 6.097 15.731 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.644 4.221 15.808 1.00 0.00 H new ATOM 1374 N THR A 85 11.441 5.869 10.278 1.00 0.00 N ATOM 1375 CA THR A 85 11.383 4.608 9.559 1.00 0.00 C ATOM 1376 C THR A 85 12.440 4.578 8.456 1.00 0.00 C ATOM 1377 O THR A 85 13.252 3.652 8.383 1.00 0.00 O ATOM 1378 CB THR A 85 9.982 4.383 8.946 1.00 0.00 C ATOM 1379 OG1 THR A 85 8.983 4.479 9.970 1.00 0.00 O ATOM 1380 CG2 THR A 85 9.886 3.020 8.266 1.00 0.00 C ATOM 0 H THR A 85 10.607 6.447 10.178 1.00 0.00 H new ATOM 0 HA THR A 85 11.582 3.806 10.270 1.00 0.00 H new ATOM 0 HB THR A 85 9.816 5.153 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.087 5.327 10.450 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.889 2.893 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.627 2.958 7.469 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.074 2.234 8.998 1.00 0.00 H new ATOM 1388 N LYS A 86 12.445 5.614 7.617 1.00 0.00 N ATOM 1389 CA LYS A 86 13.388 5.685 6.507 1.00 0.00 C ATOM 1390 C LYS A 86 14.805 5.932 7.020 1.00 0.00 C ATOM 1391 O LYS A 86 15.774 5.597 6.348 1.00 0.00 O ATOM 1392 CB LYS A 86 12.974 6.765 5.497 1.00 0.00 C ATOM 1393 CG LYS A 86 12.955 8.183 6.056 1.00 0.00 C ATOM 1394 CD LYS A 86 12.567 9.201 4.987 1.00 0.00 C ATOM 1395 CE LYS A 86 11.138 8.997 4.485 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.843 9.849 3.302 1.00 0.00 N ATOM 0 H LYS A 86 11.810 6.409 7.686 1.00 0.00 H new ATOM 0 HA LYS A 86 13.374 4.725 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.658 6.732 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.981 6.526 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.250 8.239 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.938 8.431 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.667 10.207 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.259 9.126 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.990 7.949 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.435 9.229 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.813 9.936 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.257 10.793 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.252 9.414 2.450 1.00 0.00 H new ATOM 1410 N GLU A 87 14.912 6.518 8.214 1.00 0.00 N ATOM 1411 CA GLU A 87 16.201 6.688 8.892 1.00 0.00 C ATOM 1412 C GLU A 87 16.913 5.339 9.009 1.00 0.00 C ATOM 1413 O GLU A 87 18.022 5.147 8.493 1.00 0.00 O ATOM 1414 CB GLU A 87 15.976 7.295 10.290 1.00 0.00 C ATOM 1415 CG GLU A 87 17.228 7.376 11.163 1.00 0.00 C ATOM 1416 CD GLU A 87 18.273 8.341 10.629 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.017 9.561 10.638 1.00 0.00 O ATOM 1418 OE2 GLU A 87 19.363 7.888 10.223 1.00 0.00 O ATOM 0 H GLU A 87 14.116 6.886 8.735 1.00 0.00 H new ATOM 0 HA GLU A 87 16.827 7.363 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.566 8.298 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.224 6.702 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.941 7.682 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.669 6.383 11.246 1.00 0.00 H new ATOM 1425 N VAL A 88 16.251 4.393 9.668 1.00 0.00 N ATOM 1426 CA VAL A 88 16.793 3.048 9.829 1.00 0.00 C ATOM 1427 C VAL A 88 17.113 2.437 8.462 1.00 0.00 C ATOM 1428 O VAL A 88 18.170 1.824 8.267 1.00 0.00 O ATOM 1429 CB VAL A 88 15.804 2.131 10.595 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.378 0.722 10.764 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.448 2.741 11.952 1.00 0.00 C ATOM 0 H VAL A 88 15.337 4.533 10.100 1.00 0.00 H new ATOM 0 HA VAL A 88 17.710 3.126 10.413 1.00 0.00 H new ATOM 0 HB VAL A 88 14.891 2.050 10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.664 0.101 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.569 0.287 9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.311 0.774 11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.753 2.084 12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.354 2.859 12.547 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.983 3.715 11.802 1.00 0.00 H new ATOM 1441 N ILE A 89 16.204 2.643 7.509 1.00 0.00 N ATOM 1442 CA ILE A 89 16.365 2.107 6.161 1.00 0.00 C ATOM 1443 C ILE A 89 17.629 2.656 5.494 1.00 0.00 C ATOM 1444 O ILE A 89 18.418 1.892 4.953 1.00 0.00 O ATOM 1445 CB ILE A 89 15.129 2.404 5.270 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.869 1.762 5.879 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.358 1.899 3.843 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.599 2.035 5.098 1.00 0.00 C ATOM 0 H ILE A 89 15.347 3.179 7.648 1.00 0.00 H new ATOM 0 HA ILE A 89 16.460 1.026 6.262 1.00 0.00 H new ATOM 0 HB ILE A 89 14.982 3.483 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.018 0.684 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.743 2.129 6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.480 2.117 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.228 2.397 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.529 0.823 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.757 1.549 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.423 3.110 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.703 1.643 4.086 1.00 0.00 H new ATOM 1460 N THR A 90 17.841 3.971 5.564 1.00 0.00 N ATOM 1461 CA THR A 90 18.996 4.593 4.911 1.00 0.00 C ATOM 1462 C THR A 90 20.303 4.013 5.452 1.00 0.00 C ATOM 1463 O THR A 90 21.300 3.911 4.732 1.00 0.00 O ATOM 1464 CB THR A 90 19.009 6.139 5.081 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.978 6.504 6.470 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.829 6.785 4.365 1.00 0.00 C ATOM 0 H THR A 90 17.234 4.622 6.062 1.00 0.00 H new ATOM 0 HA THR A 90 18.908 4.371 3.848 1.00 0.00 H new ATOM 0 HB THR A 90 19.935 6.503 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.750 5.718 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.867 7.866 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.878 6.553 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.897 6.399 4.778 1.00 0.00 H new ATOM 1474 N ASN A 91 20.276 3.606 6.719 1.00 0.00 N ATOM 1475 CA ASN A 91 21.475 3.111 7.396 1.00 0.00 C ATOM 1476 C ASN A 91 21.689 1.611 7.174 1.00 0.00 C ATOM 1477 O ASN A 91 22.790 1.103 7.397 1.00 0.00 O ATOM 1478 CB ASN A 91 21.393 3.422 8.896 1.00 0.00 C ATOM 1479 CG ASN A 91 21.339 4.917 9.167 1.00 0.00 C ATOM 1480 OD1 ASN A 91 21.916 5.715 8.427 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.645 5.311 10.221 1.00 0.00 N ATOM 0 H ASN A 91 19.437 3.609 7.299 1.00 0.00 H new ATOM 0 HA ASN A 91 22.333 3.624 6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.508 2.945 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.257 2.993 9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.575 6.304 10.443 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.180 4.622 10.812 1.00 0.00 H new ATOM 1488 N SER A 92 20.650 0.896 6.740 1.00 0.00 N ATOM 1489 CA SER A 92 20.769 -0.549 6.507 1.00 0.00 C ATOM 1490 C SER A 92 20.433 -0.930 5.059 1.00 0.00 C ATOM 1491 O SER A 92 20.452 -2.109 4.701 1.00 0.00 O ATOM 1492 CB SER A 92 19.862 -1.310 7.484 1.00 0.00 C ATOM 1493 OG SER A 92 18.523 -0.844 7.417 1.00 0.00 O ATOM 0 H SER A 92 19.727 1.285 6.544 1.00 0.00 H new ATOM 0 HA SER A 92 21.808 -0.829 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.890 -2.375 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.239 -1.193 8.500 1.00 0.00 H new ATOM 0 HG SER A 92 18.478 0.074 7.758 1.00 0.00 H new ATOM 1499 N ILE A 93 20.164 0.073 4.223 1.00 0.00 N ATOM 1500 CA ILE A 93 19.740 -0.156 2.837 1.00 0.00 C ATOM 1501 C ILE A 93 20.812 -0.901 2.034 1.00 0.00 C ATOM 1502 O ILE A 93 20.509 -1.561 1.038 1.00 0.00 O ATOM 1503 CB ILE A 93 19.390 1.185 2.127 1.00 0.00 C ATOM 1504 CG1 ILE A 93 18.762 0.930 0.744 1.00 0.00 C ATOM 1505 CG2 ILE A 93 20.627 2.075 2.004 1.00 0.00 C ATOM 1506 CD1 ILE A 93 17.438 0.193 0.801 1.00 0.00 C ATOM 0 H ILE A 93 20.232 1.057 4.481 1.00 0.00 H new ATOM 0 HA ILE A 93 18.846 -0.778 2.878 1.00 0.00 H new ATOM 0 HB ILE A 93 18.655 1.707 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 93 18.614 1.885 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 93 19.462 0.355 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.357 3.006 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.017 2.296 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.390 1.559 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 93 17.057 0.050 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 93 17.582 -0.778 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 93 16.721 0.776 1.379 1.00 0.00 H new ATOM 1518 N THR A 94 22.061 -0.801 2.479 1.00 0.00 N ATOM 1519 CA THR A 94 23.174 -1.444 1.792 1.00 0.00 C ATOM 1520 C THR A 94 23.073 -2.971 1.885 1.00 0.00 C ATOM 1521 O THR A 94 23.455 -3.686 0.957 1.00 0.00 O ATOM 1522 CB THR A 94 24.539 -0.967 2.354 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.617 -1.580 1.634 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.671 -1.283 3.844 1.00 0.00 C ATOM 0 H THR A 94 22.327 -0.279 3.314 1.00 0.00 H new ATOM 0 HA THR A 94 23.115 -1.154 0.743 1.00 0.00 H new ATOM 0 HB THR A 94 24.587 0.115 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.472 -1.269 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.639 -0.935 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.876 -0.780 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.592 -2.359 3.996 1.00 0.00 H new ATOM 1532 N GLN A 95 22.534 -3.470 3.000 1.00 0.00 N ATOM 1533 CA GLN A 95 22.409 -4.912 3.223 1.00 0.00 C ATOM 1534 C GLN A 95 21.031 -5.243 3.800 1.00 0.00 C ATOM 1535 O GLN A 95 20.896 -5.492 5.000 1.00 0.00 O ATOM 1536 CB GLN A 95 23.509 -5.421 4.172 1.00 0.00 C ATOM 1537 CG GLN A 95 24.933 -5.201 3.666 1.00 0.00 C ATOM 1538 CD GLN A 95 25.983 -5.682 4.653 1.00 0.00 C ATOM 1539 OE1 GLN A 95 25.758 -5.688 5.865 1.00 0.00 O ATOM 1540 NE2 GLN A 95 27.141 -6.079 4.147 1.00 0.00 N ATOM 0 H GLN A 95 22.177 -2.896 3.763 1.00 0.00 H new ATOM 0 HA GLN A 95 22.524 -5.412 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.398 -4.924 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.358 -6.487 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.063 -5.724 2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.085 -4.140 3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 95 27.290 -6.060 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 95 27.884 -6.404 4.766 1.00 0.00 H new ATOM 1549 N PRO A 96 19.984 -5.219 2.961 1.00 0.00 N ATOM 1550 CA PRO A 96 18.626 -5.533 3.384 1.00 0.00 C ATOM 1551 C PRO A 96 18.270 -7.009 3.182 1.00 0.00 C ATOM 1552 O PRO A 96 19.065 -7.791 2.653 1.00 0.00 O ATOM 1553 CB PRO A 96 17.796 -4.640 2.459 1.00 0.00 C ATOM 1554 CG PRO A 96 18.572 -4.599 1.177 1.00 0.00 C ATOM 1555 CD PRO A 96 20.025 -4.858 1.530 1.00 0.00 C ATOM 0 HA PRO A 96 18.463 -5.362 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.797 -5.048 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.671 -3.642 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.204 -5.352 0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.460 -3.631 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.445 -5.663 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.641 -3.976 1.358 1.00 0.00 H new ATOM 1563 N THR A 97 17.070 -7.377 3.616 1.00 0.00 N ATOM 1564 CA THR A 97 16.536 -8.716 3.418 1.00 0.00 C ATOM 1565 C THR A 97 15.278 -8.639 2.551 1.00 0.00 C ATOM 1566 O THR A 97 14.833 -7.543 2.199 1.00 0.00 O ATOM 1567 CB THR A 97 16.202 -9.402 4.767 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.245 -8.620 5.498 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.458 -9.593 5.615 1.00 0.00 C ATOM 0 H THR A 97 16.439 -6.751 4.117 1.00 0.00 H new ATOM 0 HA THR A 97 17.297 -9.315 2.919 1.00 0.00 H new ATOM 0 HB THR A 97 15.780 -10.382 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.041 -9.064 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.192 -10.076 6.555 1.00 0.00 H new ATOM 0 HG22 THR A 97 18.170 -10.217 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.909 -8.622 5.821 1.00 0.00 H new ATOM 1577 N LEU A 98 14.690 -9.795 2.250 1.00 0.00 N ATOM 1578 CA LEU A 98 13.565 -9.886 1.315 1.00 0.00 C ATOM 1579 C LEU A 98 12.384 -9.007 1.744 1.00 0.00 C ATOM 1580 O LEU A 98 11.569 -8.607 0.910 1.00 0.00 O ATOM 1581 CB LEU A 98 13.091 -11.348 1.169 1.00 0.00 C ATOM 1582 CG LEU A 98 14.043 -12.310 0.425 1.00 0.00 C ATOM 1583 CD1 LEU A 98 14.351 -11.796 -0.979 1.00 0.00 C ATOM 1584 CD2 LEU A 98 15.332 -12.541 1.214 1.00 0.00 C ATOM 0 H LEU A 98 14.976 -10.692 2.643 1.00 0.00 H new ATOM 0 HA LEU A 98 13.927 -9.522 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 98 12.911 -11.750 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.133 -11.346 0.649 1.00 0.00 H new ATOM 0 HG LEU A 98 13.534 -13.270 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.023 -12.491 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.425 -11.712 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 98 14.825 -10.817 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 98 15.979 -13.223 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 98 15.845 -11.590 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.092 -12.975 2.185 1.00 0.00 H new ATOM 1596 N HIS A 99 12.279 -8.715 3.040 1.00 0.00 N ATOM 1597 CA HIS A 99 11.150 -7.936 3.557 1.00 0.00 C ATOM 1598 C HIS A 99 11.582 -6.913 4.610 1.00 0.00 C ATOM 1599 O HIS A 99 10.800 -6.572 5.492 1.00 0.00 O ATOM 1600 CB HIS A 99 10.074 -8.870 4.136 1.00 0.00 C ATOM 1601 CG HIS A 99 9.358 -9.681 3.095 1.00 0.00 C ATOM 1602 ND1 HIS A 99 9.536 -10.960 2.687 1.00 0.00 N flip ATOM 1603 CD2 HIS A 99 8.329 -9.179 2.325 1.00 0.00 C flip ATOM 1604 CE1 HIS A 99 8.624 -11.201 1.690 1.00 0.00 C flip ATOM 1605 NE2 HIS A 99 7.911 -10.111 1.491 1.00 0.00 N flip ATOM 0 H HIS A 99 12.955 -9.002 3.748 1.00 0.00 H new ATOM 0 HA HIS A 99 10.733 -7.381 2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.539 -9.545 4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.345 -8.274 4.685 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.221 -11.622 3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.928 -8.179 2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.509 -12.132 1.156 1.00 0.00 H new ATOM 1614 N SER A 100 12.805 -6.388 4.492 1.00 0.00 N ATOM 1615 CA SER A 100 13.268 -5.322 5.395 1.00 0.00 C ATOM 1616 C SER A 100 12.400 -4.068 5.252 1.00 0.00 C ATOM 1617 O SER A 100 12.340 -3.231 6.152 1.00 0.00 O ATOM 1618 CB SER A 100 14.737 -4.973 5.121 1.00 0.00 C ATOM 1619 OG SER A 100 15.594 -6.045 5.473 1.00 0.00 O ATOM 0 H SER A 100 13.487 -6.677 3.791 1.00 0.00 H new ATOM 0 HA SER A 100 13.180 -5.693 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.865 -4.733 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.013 -4.083 5.686 1.00 0.00 H new ATOM 0 HG SER A 100 15.084 -6.882 5.484 1.00 0.00 H new ATOM 1625 N PHE A 101 11.722 -3.953 4.115 1.00 0.00 N ATOM 1626 CA PHE A 101 10.861 -2.807 3.840 1.00 0.00 C ATOM 1627 C PHE A 101 9.489 -2.970 4.497 1.00 0.00 C ATOM 1628 O PHE A 101 8.586 -2.171 4.257 1.00 0.00 O ATOM 1629 CB PHE A 101 10.690 -2.622 2.324 1.00 0.00 C ATOM 1630 CG PHE A 101 11.973 -2.280 1.601 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.795 -3.282 1.100 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.354 -0.956 1.421 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.967 -2.969 0.438 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.526 -0.640 0.760 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.333 -1.648 0.268 1.00 0.00 C ATOM 0 H PHE A 101 11.752 -4.643 3.365 1.00 0.00 H new ATOM 0 HA PHE A 101 11.340 -1.924 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.278 -3.538 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.961 -1.832 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.515 -4.317 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.727 -0.164 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 101 14.597 -3.757 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.811 0.393 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.249 -1.403 -0.249 1.00 0.00 H new ATOM 1645 N ASP A 102 9.333 -3.998 5.333 1.00 0.00 N ATOM 1646 CA ASP A 102 8.048 -4.277 5.977 1.00 0.00 C ATOM 1647 C ASP A 102 7.620 -3.100 6.845 1.00 0.00 C ATOM 1648 O ASP A 102 6.443 -2.757 6.897 1.00 0.00 O ATOM 1649 CB ASP A 102 8.116 -5.556 6.822 1.00 0.00 C ATOM 1650 CG ASP A 102 8.923 -5.379 8.100 1.00 0.00 C ATOM 1651 OD1 ASP A 102 10.154 -5.209 8.009 1.00 0.00 O ATOM 1652 OD2 ASP A 102 8.326 -5.409 9.196 1.00 0.00 O ATOM 0 H ASP A 102 10.078 -4.650 5.580 1.00 0.00 H new ATOM 0 HA ASP A 102 7.308 -4.426 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.104 -5.871 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.558 -6.355 6.227 1.00 0.00 H new ATOM 1657 N ALA A 103 8.591 -2.480 7.511 1.00 0.00 N ATOM 1658 CA ALA A 103 8.332 -1.305 8.337 1.00 0.00 C ATOM 1659 C ALA A 103 7.779 -0.160 7.488 1.00 0.00 C ATOM 1660 O ALA A 103 6.823 0.513 7.878 1.00 0.00 O ATOM 1661 CB ALA A 103 9.606 -0.876 9.055 1.00 0.00 C ATOM 0 H ALA A 103 9.568 -2.774 7.494 1.00 0.00 H new ATOM 0 HA ALA A 103 7.582 -1.564 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.400 0.001 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.957 -1.689 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.374 -0.633 8.320 1.00 0.00 H new ATOM 1667 N ALA A 104 8.378 0.039 6.314 1.00 0.00 N ATOM 1668 CA ALA A 104 7.952 1.094 5.395 1.00 0.00 C ATOM 1669 C ALA A 104 6.542 0.818 4.881 1.00 0.00 C ATOM 1670 O ALA A 104 5.684 1.707 4.871 1.00 0.00 O ATOM 1671 CB ALA A 104 8.936 1.208 4.234 1.00 0.00 C ATOM 0 H ALA A 104 9.162 -0.519 5.976 1.00 0.00 H new ATOM 0 HA ALA A 104 7.938 2.042 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.609 1.996 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.927 1.448 4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.976 0.261 3.696 1.00 0.00 H new ATOM 1677 N GLN A 105 6.314 -0.427 4.468 1.00 0.00 N ATOM 1678 CA GLN A 105 5.004 -0.864 3.994 1.00 0.00 C ATOM 1679 C GLN A 105 3.968 -0.697 5.098 1.00 0.00 C ATOM 1680 O GLN A 105 2.850 -0.249 4.856 1.00 0.00 O ATOM 1681 CB GLN A 105 5.061 -2.332 3.552 1.00 0.00 C ATOM 1682 CG GLN A 105 6.047 -2.598 2.421 1.00 0.00 C ATOM 1683 CD GLN A 105 6.210 -4.079 2.128 1.00 0.00 C ATOM 1684 OE1 GLN A 105 7.151 -4.714 2.807 1.00 0.00 O flip ATOM 1685 NE2 GLN A 105 5.500 -4.647 1.304 1.00 0.00 N flip ATOM 0 H GLN A 105 7.027 -1.156 4.453 1.00 0.00 H new ATOM 0 HA GLN A 105 4.719 -0.249 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.331 -2.949 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.066 -2.645 3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.707 -2.088 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.017 -2.174 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.785 -4.123 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.625 -5.643 1.123 1.00 0.00 H new ATOM 1694 N SER A 106 4.367 -1.056 6.316 1.00 0.00 N ATOM 1695 CA SER A 106 3.516 -0.926 7.489 1.00 0.00 C ATOM 1696 C SER A 106 3.046 0.520 7.631 1.00 0.00 C ATOM 1697 O SER A 106 1.847 0.796 7.593 1.00 0.00 O ATOM 1698 CB SER A 106 4.287 -1.377 8.744 1.00 0.00 C ATOM 1699 OG SER A 106 3.497 -1.284 9.918 1.00 0.00 O ATOM 0 H SER A 106 5.289 -1.445 6.514 1.00 0.00 H new ATOM 0 HA SER A 106 2.639 -1.563 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.621 -2.406 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.181 -0.764 8.860 1.00 0.00 H new ATOM 0 HG SER A 106 4.022 -1.581 10.690 1.00 0.00 H new ATOM 1705 N ARG A 107 4.009 1.436 7.741 1.00 0.00 N ATOM 1706 CA ARG A 107 3.727 2.864 7.910 1.00 0.00 C ATOM 1707 C ARG A 107 2.667 3.350 6.918 1.00 0.00 C ATOM 1708 O ARG A 107 1.605 3.833 7.320 1.00 0.00 O ATOM 1709 CB ARG A 107 5.018 3.674 7.734 1.00 0.00 C ATOM 1710 CG ARG A 107 6.094 3.391 8.785 1.00 0.00 C ATOM 1711 CD ARG A 107 5.862 4.157 10.088 1.00 0.00 C ATOM 1712 NE ARG A 107 4.683 3.697 10.827 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.020 4.445 11.712 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.381 5.706 11.929 1.00 0.00 N ATOM 1715 NH2 ARG A 107 2.998 3.931 12.378 1.00 0.00 N ATOM 0 H ARG A 107 5.004 1.211 7.716 1.00 0.00 H new ATOM 0 HA ARG A 107 3.335 3.012 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.430 3.467 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.772 4.736 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.118 2.322 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.070 3.658 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.742 4.056 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.751 5.218 9.863 1.00 0.00 H new ATOM 0 HE ARG A 107 4.349 2.749 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.168 6.106 11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.871 6.273 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.717 2.964 12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.491 4.502 13.054 1.00 0.00 H new ATOM 1729 N VAL A 108 2.951 3.197 5.627 1.00 0.00 N ATOM 1730 CA VAL A 108 2.067 3.698 4.583 1.00 0.00 C ATOM 1731 C VAL A 108 0.710 2.978 4.599 1.00 0.00 C ATOM 1732 O VAL A 108 -0.323 3.582 4.314 1.00 0.00 O ATOM 1733 CB VAL A 108 2.728 3.566 3.186 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.906 2.103 2.785 1.00 0.00 C ATOM 1735 CG2 VAL A 108 1.930 4.330 2.137 1.00 0.00 C ATOM 0 H VAL A 108 3.788 2.729 5.280 1.00 0.00 H new ATOM 0 HA VAL A 108 1.891 4.754 4.787 1.00 0.00 H new ATOM 0 HB VAL A 108 3.722 4.009 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.372 2.050 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.541 1.600 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.933 1.614 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.412 4.224 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.918 3.929 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.889 5.385 2.408 1.00 0.00 H new ATOM 1745 N TYR A 109 0.720 1.696 4.962 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.501 0.887 5.011 1.00 0.00 C ATOM 1747 C TYR A 109 -1.451 1.383 6.107 1.00 0.00 C ATOM 1748 O TYR A 109 -2.659 1.496 5.883 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.135 -0.596 5.204 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.250 -1.477 5.750 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -2.218 -2.023 4.911 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.325 -1.771 7.110 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -3.226 -2.830 5.412 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.327 -2.578 7.615 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.276 -3.105 6.763 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.275 -3.915 7.264 1.00 0.00 O ATOM 0 H TYR A 109 1.565 1.191 5.228 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.031 0.990 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.189 -1.001 4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.718 -0.657 5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.182 -1.814 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.586 -1.360 7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.970 -3.243 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.367 -2.795 8.672 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.165 -4.008 8.233 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.904 1.691 7.283 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.706 2.225 8.390 1.00 0.00 C ATOM 1768 C GLN A 110 -2.296 3.561 7.974 1.00 0.00 C ATOM 1769 O GLN A 110 -3.454 3.873 8.257 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.841 2.409 9.643 1.00 0.00 C ATOM 1771 CG GLN A 110 0.052 1.219 9.920 1.00 0.00 C ATOM 1772 CD GLN A 110 0.971 1.421 11.111 1.00 0.00 C ATOM 1773 OE1 GLN A 110 2.090 1.908 10.969 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.508 1.042 12.293 1.00 0.00 N ATOM 0 H GLN A 110 0.087 1.581 7.496 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.505 1.521 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -0.225 3.300 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -1.488 2.580 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.569 0.340 10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.655 1.013 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.427 0.642 12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.087 1.151 13.126 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.472 4.335 7.283 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.879 5.619 6.745 1.00 0.00 C ATOM 1785 C LEU A 111 -3.035 5.442 5.758 1.00 0.00 C ATOM 1786 O LEU A 111 -3.989 6.222 5.766 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.683 6.303 6.070 1.00 0.00 C ATOM 1788 CG LEU A 111 0.454 6.729 7.017 1.00 0.00 C ATOM 1789 CD1 LEU A 111 1.609 7.351 6.232 1.00 0.00 C ATOM 1790 CD2 LEU A 111 -0.062 7.700 8.082 1.00 0.00 C ATOM 0 H LEU A 111 -0.503 4.088 7.081 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.227 6.253 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.274 5.626 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.042 7.185 5.540 1.00 0.00 H new ATOM 0 HG LEU A 111 0.827 5.838 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.401 7.645 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.999 6.623 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.252 8.229 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.758 7.988 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.468 8.588 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.844 7.216 8.667 1.00 0.00 H new ATOM 1802 N MET A 112 -2.957 4.399 4.926 1.00 0.00 N ATOM 1803 CA MET A 112 -4.031 4.096 3.978 1.00 0.00 C ATOM 1804 C MET A 112 -5.325 3.813 4.731 1.00 0.00 C ATOM 1805 O MET A 112 -6.399 4.231 4.314 1.00 0.00 O ATOM 1806 CB MET A 112 -3.689 2.893 3.083 1.00 0.00 C ATOM 1807 CG MET A 112 -2.474 3.097 2.188 1.00 0.00 C ATOM 1808 SD MET A 112 -2.346 1.852 0.885 1.00 0.00 S ATOM 1809 CE MET A 112 -2.446 0.332 1.824 1.00 0.00 C ATOM 0 H MET A 112 -2.167 3.755 4.890 1.00 0.00 H new ATOM 0 HA MET A 112 -4.153 4.969 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.516 2.023 3.716 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.552 2.665 2.457 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.525 4.087 1.734 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.571 3.072 2.798 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.803 -0.471 1.179 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.459 0.076 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.137 0.464 2.657 1.00 0.00 H new ATOM 1819 N GLU A 113 -5.216 3.107 5.849 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.380 2.791 6.663 1.00 0.00 C ATOM 1821 C GLU A 113 -7.036 4.079 7.171 1.00 0.00 C ATOM 1822 O GLU A 113 -8.138 4.441 6.745 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.984 1.888 7.841 1.00 0.00 C ATOM 1824 CG GLU A 113 -7.155 1.485 8.733 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.732 0.591 9.889 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -6.304 1.124 10.935 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -6.826 -0.648 9.756 1.00 0.00 O ATOM 0 H GLU A 113 -4.335 2.743 6.211 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.100 2.253 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.510 0.987 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.239 2.404 8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.631 2.382 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.902 0.966 8.132 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.315 4.801 8.024 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.860 5.973 8.715 1.00 0.00 C ATOM 1836 C GLN A 114 -6.984 7.197 7.797 1.00 0.00 C ATOM 1837 O GLN A 114 -7.144 8.322 8.277 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.993 6.304 9.937 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.535 6.594 9.604 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.679 6.771 10.844 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.507 7.882 11.349 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.150 5.669 11.357 1.00 0.00 N ATOM 0 H GLN A 114 -5.343 4.595 8.257 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.870 5.721 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.417 7.169 10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -6.036 5.469 10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.134 5.778 9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.477 7.496 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.316 4.768 10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.577 5.723 12.199 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.915 6.983 6.486 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.151 8.058 5.522 1.00 0.00 C ATOM 1853 C ASP A 115 -7.914 7.536 4.309 1.00 0.00 C ATOM 1854 O ASP A 115 -9.062 7.914 4.078 1.00 0.00 O ATOM 1855 CB ASP A 115 -5.832 8.708 5.074 1.00 0.00 C ATOM 1856 CG ASP A 115 -6.062 9.892 4.141 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -6.596 10.920 4.608 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -5.727 9.801 2.943 1.00 0.00 O ATOM 0 H ASP A 115 -6.699 6.079 6.066 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.754 8.818 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.277 9.041 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.215 7.964 4.569 1.00 0.00 H new ATOM 1863 N SER A 116 -7.279 6.650 3.553 1.00 0.00 N ATOM 1864 CA SER A 116 -7.856 6.125 2.320 1.00 0.00 C ATOM 1865 C SER A 116 -9.072 5.235 2.606 1.00 0.00 C ATOM 1866 O SER A 116 -10.066 5.280 1.878 1.00 0.00 O ATOM 1867 CB SER A 116 -6.796 5.329 1.551 1.00 0.00 C ATOM 1868 OG SER A 116 -5.555 6.018 1.532 1.00 0.00 O ATOM 0 H SER A 116 -6.356 6.276 3.774 1.00 0.00 H new ATOM 0 HA SER A 116 -8.191 6.968 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.665 4.350 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.136 5.157 0.530 1.00 0.00 H new ATOM 0 HG SER A 116 -4.895 5.489 1.037 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.002 4.442 3.680 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.056 3.475 3.988 1.00 0.00 C ATOM 1876 C TYR A 117 -11.310 4.195 4.465 1.00 0.00 C ATOM 1877 O TYR A 117 -12.419 3.838 4.076 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.569 2.463 5.036 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.619 1.461 5.493 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -11.288 0.650 4.582 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.927 1.317 6.844 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -12.231 -0.271 5.003 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.867 0.400 7.270 1.00 0.00 C ATOM 1884 CZ TYR A 117 -12.516 -0.392 6.347 1.00 0.00 C ATOM 1885 OH TYR A 117 -13.451 -1.307 6.771 1.00 0.00 O ATOM 0 H TYR A 117 -8.230 4.452 4.347 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.303 2.925 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.720 1.916 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.205 3.009 5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -11.068 0.741 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.421 1.934 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.742 -0.892 4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.093 0.304 8.322 1.00 0.00 H new ATOM 0 HH TYR A 117 -13.338 -2.144 6.275 1.00 0.00 H new ATOM 1895 N THR A 118 -11.130 5.223 5.286 1.00 0.00 N ATOM 1896 CA THR A 118 -12.252 6.019 5.768 1.00 0.00 C ATOM 1897 C THR A 118 -12.942 6.723 4.599 1.00 0.00 C ATOM 1898 O THR A 118 -14.174 6.737 4.504 1.00 0.00 O ATOM 1899 CB THR A 118 -11.787 7.052 6.816 1.00 0.00 C ATOM 1900 OG1 THR A 118 -10.678 7.798 6.303 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.380 6.367 8.117 1.00 0.00 C ATOM 0 H THR A 118 -10.219 5.525 5.631 1.00 0.00 H new ATOM 0 HA THR A 118 -12.965 5.348 6.247 1.00 0.00 H new ATOM 0 HB THR A 118 -12.620 7.724 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.387 8.453 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.057 7.118 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.231 5.819 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.561 5.674 7.923 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.137 7.283 3.697 1.00 0.00 N ATOM 1910 CA ARG A 119 -12.650 7.895 2.471 1.00 0.00 C ATOM 1911 C ARG A 119 -13.402 6.854 1.642 1.00 0.00 C ATOM 1912 O ARG A 119 -14.466 7.134 1.080 1.00 0.00 O ATOM 1913 CB ARG A 119 -11.498 8.502 1.652 1.00 0.00 C ATOM 1914 CG ARG A 119 -10.794 9.663 2.352 1.00 0.00 C ATOM 1915 CD ARG A 119 -9.532 10.107 1.614 1.00 0.00 C ATOM 1916 NE ARG A 119 -9.821 10.609 0.268 1.00 0.00 N ATOM 1917 CZ ARG A 119 -9.890 11.904 -0.051 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -9.681 12.837 0.872 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -10.157 12.262 -1.301 1.00 0.00 N ATOM 0 H ARG A 119 -11.122 7.326 3.793 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.340 8.695 2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -10.767 7.723 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -11.887 8.848 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.481 10.506 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -10.533 9.367 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.032 10.886 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.840 9.268 1.545 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.980 9.926 -0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.466 12.566 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.735 13.824 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.309 11.549 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.210 13.250 -1.548 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.852 5.644 1.591 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.468 4.548 0.851 1.00 0.00 C ATOM 1935 C PHE A 120 -14.791 4.145 1.507 1.00 0.00 C ATOM 1936 O PHE A 120 -15.740 3.774 0.825 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.514 3.349 0.767 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.991 2.259 -0.160 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.982 2.450 -1.536 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.448 1.046 0.338 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.416 1.457 -2.392 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.882 0.051 -0.516 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.868 0.256 -1.882 1.00 0.00 C ATOM 0 H PHE A 120 -11.978 5.398 2.055 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.675 4.886 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.536 3.696 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.380 2.932 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.631 3.387 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.464 0.879 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.402 1.620 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.233 -0.889 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.210 -0.521 -2.550 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.855 4.239 2.832 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.097 3.973 3.559 1.00 0.00 C ATOM 1955 C LEU A 121 -17.156 5.017 3.198 1.00 0.00 C ATOM 1956 O LEU A 121 -18.356 4.759 3.289 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.854 3.974 5.077 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.928 2.863 5.603 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.716 3.001 7.109 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.490 1.485 5.262 1.00 0.00 C ATOM 0 H LEU A 121 -14.066 4.496 3.424 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.456 2.986 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.431 4.938 5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.817 3.889 5.581 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.960 2.968 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.058 2.205 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.262 3.968 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.676 2.929 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.820 0.714 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.473 1.370 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.579 1.386 4.180 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.695 6.201 2.797 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.588 7.292 2.404 1.00 0.00 C ATOM 1974 C LYS A 122 -17.932 7.221 0.913 1.00 0.00 C ATOM 1975 O LYS A 122 -18.883 7.866 0.461 1.00 0.00 O ATOM 1976 CB LYS A 122 -16.936 8.649 2.721 1.00 0.00 C ATOM 1977 CG LYS A 122 -16.567 8.865 4.196 1.00 0.00 C ATOM 1978 CD LYS A 122 -17.792 9.029 5.105 1.00 0.00 C ATOM 1979 CE LYS A 122 -18.391 7.695 5.541 1.00 0.00 C ATOM 1980 NZ LYS A 122 -19.592 7.883 6.396 1.00 0.00 N ATOM 0 H LYS A 122 -15.703 6.431 2.735 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.512 7.189 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.034 8.751 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.617 9.443 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.975 8.019 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.938 9.751 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -17.508 9.600 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -18.552 9.609 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -18.659 7.112 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.642 7.121 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.970 6.954 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -19.331 8.418 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -20.316 8.408 5.866 1.00 0.00 H new ATOM 1994 N SER A 123 -17.151 6.451 0.153 1.00 0.00 N ATOM 1995 CA SER A 123 -17.345 6.354 -1.293 1.00 0.00 C ATOM 1996 C SER A 123 -18.724 5.784 -1.629 1.00 0.00 C ATOM 1997 O SER A 123 -19.199 4.844 -0.982 1.00 0.00 O ATOM 1998 CB SER A 123 -16.255 5.484 -1.938 1.00 0.00 C ATOM 1999 OG SER A 123 -16.440 4.109 -1.642 1.00 0.00 O ATOM 0 H SER A 123 -16.381 5.888 0.514 1.00 0.00 H new ATOM 0 HA SER A 123 -17.276 7.364 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.265 5.629 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.276 5.804 -1.583 1.00 0.00 H new ATOM 0 HG SER A 123 -16.466 3.984 -0.670 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.347 6.349 -2.657 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.669 5.923 -3.108 1.00 0.00 C ATOM 2007 C ASP A 124 -20.639 4.472 -3.582 1.00 0.00 C ATOM 2008 O ASP A 124 -21.630 3.748 -3.463 1.00 0.00 O ATOM 2009 CB ASP A 124 -21.153 6.833 -4.247 1.00 0.00 C ATOM 2010 CG ASP A 124 -20.269 6.742 -5.486 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -19.032 6.853 -5.349 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -20.804 6.571 -6.604 1.00 0.00 O ATOM 0 H ASP A 124 -18.951 7.115 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.359 5.998 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -22.175 6.563 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.177 7.865 -3.897 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.497 4.053 -4.123 1.00 0.00 N ATOM 2018 CA ILE A 125 -19.330 2.688 -4.614 1.00 0.00 C ATOM 2019 C ILE A 125 -19.433 1.687 -3.456 1.00 0.00 C ATOM 2020 O ILE A 125 -20.132 0.677 -3.559 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.982 2.528 -5.391 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.861 1.142 -6.071 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.781 2.793 -4.481 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.383 0.016 -5.170 1.00 0.00 C ATOM 0 H ILE A 125 -18.671 4.642 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 125 -20.135 2.475 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.984 3.279 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -18.834 0.870 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -17.174 1.228 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.859 2.674 -5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.837 3.809 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.789 2.085 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -17.333 -0.911 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -16.394 0.257 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -18.079 -0.107 -4.340 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.762 1.986 -2.344 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.778 1.101 -1.181 1.00 0.00 C ATOM 2038 C TYR A 126 -20.161 1.099 -0.535 1.00 0.00 C ATOM 2039 O TYR A 126 -20.686 0.045 -0.172 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.713 1.530 -0.165 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.542 0.568 1.002 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -16.871 -0.641 0.837 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.045 0.868 2.266 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -16.703 -1.517 1.892 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -17.880 -0.005 3.326 1.00 0.00 C ATOM 2046 CZ TYR A 126 -17.209 -1.196 3.134 1.00 0.00 C ATOM 2047 OH TYR A 126 -17.043 -2.067 4.186 1.00 0.00 O ATOM 0 H TYR A 126 -18.203 2.831 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.548 0.089 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.757 1.634 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -17.974 2.514 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.474 -0.899 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -18.573 1.798 2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.178 -2.449 1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -18.275 0.244 4.300 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.457 -1.691 4.991 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.753 2.286 -0.411 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.089 2.431 0.170 1.00 0.00 C ATOM 2059 C LEU A 127 -23.116 1.651 -0.649 1.00 0.00 C ATOM 2060 O LEU A 127 -24.053 1.064 -0.098 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.477 3.914 0.254 1.00 0.00 C ATOM 2062 CG LEU A 127 -21.579 4.776 1.162 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.011 6.240 1.122 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.593 4.243 2.596 1.00 0.00 C ATOM 0 H LEU A 127 -20.327 3.165 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.075 2.021 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.461 4.335 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.504 3.985 0.613 1.00 0.00 H new ATOM 0 HG LEU A 127 -20.558 4.717 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -21.362 6.829 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.938 6.613 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.042 6.325 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -20.953 4.865 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -22.612 4.266 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -21.224 3.217 2.607 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.920 1.634 -1.965 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.785 0.880 -2.871 1.00 0.00 C ATOM 2078 C ASP A 128 -23.684 -0.614 -2.580 1.00 0.00 C ATOM 2079 O ASP A 128 -24.683 -1.336 -2.619 1.00 0.00 O ATOM 2080 CB ASP A 128 -23.401 1.156 -4.330 1.00 0.00 C ATOM 2081 CG ASP A 128 -24.264 0.391 -5.326 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -25.383 0.854 -5.630 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.826 -0.670 -5.817 1.00 0.00 O ATOM 0 H ASP A 128 -22.165 2.137 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.814 1.202 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -23.488 2.224 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -22.355 0.888 -4.482 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.467 -1.067 -2.281 1.00 0.00 N ATOM 2089 CA LEU A 129 -22.216 -2.473 -1.963 1.00 0.00 C ATOM 2090 C LEU A 129 -22.809 -2.841 -0.603 1.00 0.00 C ATOM 2091 O LEU A 129 -23.151 -3.999 -0.363 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.708 -2.767 -1.973 1.00 0.00 C ATOM 2093 CG LEU A 129 -20.013 -2.609 -3.335 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -18.519 -2.891 -3.213 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.651 -3.524 -4.380 1.00 0.00 C ATOM 0 H LEU A 129 -21.635 -0.477 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 129 -22.701 -3.080 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.221 -2.104 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.552 -3.787 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 129 -20.141 -1.578 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -18.046 -2.774 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -18.073 -2.191 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -18.369 -3.910 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -20.143 -3.395 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -20.561 -4.562 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.705 -3.269 -4.492 1.00 0.00 H new ATOM 2107 N MET A 130 -22.917 -1.852 0.284 1.00 0.00 N ATOM 2108 CA MET A 130 -23.486 -2.071 1.614 1.00 0.00 C ATOM 2109 C MET A 130 -24.955 -2.459 1.501 1.00 0.00 C ATOM 2110 O MET A 130 -25.348 -3.560 1.889 1.00 0.00 O ATOM 2111 CB MET A 130 -23.345 -0.816 2.491 1.00 0.00 C ATOM 2112 CG MET A 130 -21.909 -0.364 2.751 1.00 0.00 C ATOM 2113 SD MET A 130 -20.898 -1.604 3.594 1.00 0.00 S ATOM 2114 CE MET A 130 -20.291 -2.584 2.218 1.00 0.00 C ATOM 0 H MET A 130 -22.619 -0.893 0.106 1.00 0.00 H new ATOM 0 HA MET A 130 -22.933 -2.884 2.086 1.00 0.00 H new ATOM 0 HB2 MET A 130 -23.887 0.002 2.017 1.00 0.00 H new ATOM 0 HB3 MET A 130 -23.829 -1.005 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.440 -0.110 1.801 1.00 0.00 H new ATOM 0 HG3 MET A 130 -21.927 0.546 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 130 -19.243 -2.833 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 130 -20.874 -3.502 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 130 -20.387 -2.013 1.294 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.761 -1.534 0.976 1.00 0.00 N ATOM 2125 CA GLU A 131 -27.191 -1.767 0.750 1.00 0.00 C ATOM 2126 C GLU A 131 -27.893 -2.198 2.050 1.00 0.00 C ATOM 2127 O GLU A 131 -28.969 -2.800 2.026 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.372 -2.821 -0.362 1.00 0.00 C ATOM 2129 CG GLU A 131 -28.785 -2.900 -0.935 1.00 0.00 C ATOM 2130 CD GLU A 131 -28.873 -3.813 -2.148 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -28.577 -3.350 -3.273 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -29.233 -4.999 -1.987 1.00 0.00 O ATOM 0 H GLU A 131 -25.444 -0.606 0.696 1.00 0.00 H new ATOM 0 HA GLU A 131 -27.656 -0.835 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -26.677 -2.599 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -27.099 -3.799 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -29.466 -3.259 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -29.117 -1.900 -1.213 1.00 0.00 H new ATOM 2139 N GLY A 132 -27.277 -1.865 3.188 1.00 0.00 N ATOM 2140 CA GLY A 132 -27.836 -2.219 4.485 1.00 0.00 C ATOM 2141 C GLY A 132 -27.876 -3.720 4.731 1.00 0.00 C ATOM 2142 O GLY A 132 -28.590 -4.189 5.620 1.00 0.00 O ATOM 0 H GLY A 132 -26.396 -1.353 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -27.246 -1.744 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -28.847 -1.818 4.559 1.00 0.00 H new ATOM 2146 N ARG A 133 -27.101 -4.471 3.953 1.00 0.00 N ATOM 2147 CA ARG A 133 -27.067 -5.930 4.065 1.00 0.00 C ATOM 2148 C ARG A 133 -26.352 -6.362 5.350 1.00 0.00 C ATOM 2149 O ARG A 133 -25.358 -5.751 5.748 1.00 0.00 O ATOM 2150 CB ARG A 133 -26.363 -6.540 2.845 1.00 0.00 C ATOM 2151 CG ARG A 133 -27.080 -6.286 1.521 1.00 0.00 C ATOM 2152 CD ARG A 133 -28.442 -6.970 1.464 1.00 0.00 C ATOM 2153 NE ARG A 133 -29.044 -6.866 0.131 1.00 0.00 N ATOM 2154 CZ ARG A 133 -29.958 -7.709 -0.354 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -30.456 -8.675 0.410 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -30.394 -7.561 -1.598 1.00 0.00 N ATOM 0 H ARG A 133 -26.484 -4.093 3.234 1.00 0.00 H new ATOM 0 HA ARG A 133 -28.095 -6.292 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -25.353 -6.136 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -26.268 -7.616 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -27.208 -5.213 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -26.460 -6.645 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -28.334 -8.021 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -29.107 -6.519 2.200 1.00 0.00 H new ATOM 0 HE ARG A 133 -28.743 -6.096 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -30.140 -8.776 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -31.154 -9.315 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -30.031 -6.806 -2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -31.092 -8.203 -1.973 1.00 0.00 H new ATOM 2170 N PRO A 134 -26.863 -7.413 6.023 1.00 0.00 N ATOM 2171 CA PRO A 134 -26.246 -7.953 7.236 1.00 0.00 C ATOM 2172 C PRO A 134 -25.118 -8.940 6.923 1.00 0.00 C ATOM 2173 O PRO A 134 -25.100 -9.567 5.858 1.00 0.00 O ATOM 2174 CB PRO A 134 -27.416 -8.666 7.916 1.00 0.00 C ATOM 2175 CG PRO A 134 -28.262 -9.153 6.787 1.00 0.00 C ATOM 2176 CD PRO A 134 -28.093 -8.153 5.663 1.00 0.00 C ATOM 0 HA PRO A 134 -25.778 -7.182 7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -27.070 -9.492 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -27.971 -7.988 8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -27.951 -10.149 6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -29.307 -9.226 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -27.992 -8.650 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -28.952 -7.487 5.589 1.00 0.00 H new TER 2184 PRO A 134