USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 35 SER OG : rot 180:sc= -0.6 USER MOD Set 1.2: A 38 GLN : amide:sc= 0 K(o=-0.6,f=-1.4) USER MOD Set 2.1: A 32 THR OG1 : rot 151:sc= -0.0148 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.887 K(o=-0.9,f=-5.8!) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.342 K(o=0.57,f=-1.1) USER MOD Set 3.2: A 93 GLN : amide:sc= 0.232 K(o=0.57,f=-1) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.127 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 140:sc= -2.82! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -110:sc= -7.58! (180deg=-11.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -110:sc= -1.47 (180deg=-4.35!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 149:sc= 0.104 USER MOD Single : A 85 TYR OH : rot -57:sc= 0.995 USER MOD Single : A 86 TYR OH : rot 26:sc= -5.06! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 172:sc= 0 (180deg=-0.0242) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.557 F(o=-2.6,f=-0.56) USER MOD Single : A 97 GLN : amide:sc=-0.00532 X(o=-0.0053,f=-0.045) USER MOD Single : A 103 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.192 -11.630 14.972 1.00 0.00 N ATOM 2 CA GLY A 1 19.161 -10.759 14.432 1.00 0.00 C ATOM 3 C GLY A 1 19.510 -10.313 13.010 1.00 0.00 C ATOM 4 O GLY A 1 20.563 -10.671 12.484 1.00 0.00 O ATOM 0 H1 GLY A 1 19.789 -12.570 15.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.968 -11.716 14.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.557 -11.227 15.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.204 -11.281 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.046 -9.885 15.073 1.00 0.00 H new ATOM 8 N SER A 2 18.607 -9.538 12.429 1.00 0.00 N ATOM 9 CA SER A 2 18.806 -9.039 11.079 1.00 0.00 C ATOM 10 C SER A 2 20.155 -8.325 10.979 1.00 0.00 C ATOM 11 O SER A 2 20.563 -7.628 11.906 1.00 0.00 O ATOM 12 CB SER A 2 17.674 -8.095 10.669 1.00 0.00 C ATOM 13 OG SER A 2 17.999 -7.349 9.498 1.00 0.00 O ATOM 0 H SER A 2 17.735 -9.243 12.868 1.00 0.00 H new ATOM 0 HA SER A 2 18.800 -9.888 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.767 -8.672 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.459 -7.409 11.488 1.00 0.00 H new ATOM 0 HG SER A 2 17.251 -6.759 9.268 1.00 0.00 H new ATOM 19 N SER A 3 20.810 -8.523 9.844 1.00 0.00 N ATOM 20 CA SER A 3 22.105 -7.907 9.611 1.00 0.00 C ATOM 21 C SER A 3 22.089 -7.142 8.286 1.00 0.00 C ATOM 22 O SER A 3 22.129 -7.746 7.215 1.00 0.00 O ATOM 23 CB SER A 3 23.221 -8.955 9.605 1.00 0.00 C ATOM 24 OG SER A 3 24.512 -8.358 9.523 1.00 0.00 O ATOM 0 H SER A 3 20.468 -9.101 9.076 1.00 0.00 H new ATOM 0 HA SER A 3 22.303 -7.209 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.157 -9.558 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.080 -9.631 8.761 1.00 0.00 H new ATOM 0 HG SER A 3 25.197 -9.059 9.523 1.00 0.00 H new ATOM 30 N GLY A 4 22.031 -5.823 8.402 1.00 0.00 N ATOM 31 CA GLY A 4 22.009 -4.969 7.227 1.00 0.00 C ATOM 32 C GLY A 4 21.292 -3.649 7.522 1.00 0.00 C ATOM 33 O GLY A 4 20.225 -3.641 8.132 1.00 0.00 O ATOM 0 H GLY A 4 21.999 -5.325 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.029 -4.768 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.508 -5.484 6.408 1.00 0.00 H new ATOM 37 N SER A 5 21.909 -2.565 7.074 1.00 0.00 N ATOM 38 CA SER A 5 21.343 -1.243 7.282 1.00 0.00 C ATOM 39 C SER A 5 20.492 -0.842 6.075 1.00 0.00 C ATOM 40 O SER A 5 21.020 -0.380 5.065 1.00 0.00 O ATOM 41 CB SER A 5 22.442 -0.206 7.524 1.00 0.00 C ATOM 42 OG SER A 5 23.046 -0.358 8.806 1.00 0.00 O ATOM 0 H SER A 5 22.795 -2.575 6.568 1.00 0.00 H new ATOM 0 HA SER A 5 20.711 -1.277 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.205 -0.299 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.021 0.796 7.438 1.00 0.00 H new ATOM 0 HG SER A 5 23.743 0.321 8.922 1.00 0.00 H new ATOM 48 N SER A 6 19.189 -1.034 6.220 1.00 0.00 N ATOM 49 CA SER A 6 18.260 -0.698 5.155 1.00 0.00 C ATOM 50 C SER A 6 17.316 0.414 5.616 1.00 0.00 C ATOM 51 O SER A 6 16.558 0.234 6.569 1.00 0.00 O ATOM 52 CB SER A 6 17.460 -1.926 4.715 1.00 0.00 C ATOM 53 OG SER A 6 17.332 -1.999 3.297 1.00 0.00 O ATOM 0 H SER A 6 18.755 -1.418 7.059 1.00 0.00 H new ATOM 0 HA SER A 6 18.834 -0.346 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.949 -2.828 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.469 -1.894 5.168 1.00 0.00 H new ATOM 0 HG SER A 6 16.817 -2.797 3.056 1.00 0.00 H new ATOM 59 N GLY A 7 17.391 1.537 4.918 1.00 0.00 N ATOM 60 CA GLY A 7 16.552 2.678 5.244 1.00 0.00 C ATOM 61 C GLY A 7 16.577 3.716 4.120 1.00 0.00 C ATOM 62 O GLY A 7 17.510 3.745 3.318 1.00 0.00 O ATOM 0 H GLY A 7 18.020 1.682 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.528 2.345 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.896 3.134 6.172 1.00 0.00 H new ATOM 66 N PRO A 8 15.515 4.564 4.097 1.00 0.00 N ATOM 67 CA PRO A 8 15.406 5.601 3.084 1.00 0.00 C ATOM 68 C PRO A 8 16.366 6.756 3.378 1.00 0.00 C ATOM 69 O PRO A 8 16.805 6.930 4.514 1.00 0.00 O ATOM 70 CB PRO A 8 13.946 6.022 3.107 1.00 0.00 C ATOM 71 CG PRO A 8 13.394 5.542 4.439 1.00 0.00 C ATOM 72 CD PRO A 8 14.392 4.559 5.030 1.00 0.00 C ATOM 0 HA PRO A 8 15.690 5.251 2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.850 7.104 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.399 5.579 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.241 6.384 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.424 5.064 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.705 4.865 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.959 3.563 5.123 1.00 0.00 H new ATOM 80 N PHE A 9 16.663 7.516 2.334 1.00 0.00 N ATOM 81 CA PHE A 9 17.562 8.650 2.465 1.00 0.00 C ATOM 82 C PHE A 9 16.786 9.934 2.765 1.00 0.00 C ATOM 83 O PHE A 9 17.128 10.669 3.690 1.00 0.00 O ATOM 84 CB PHE A 9 18.285 8.805 1.126 1.00 0.00 C ATOM 85 CG PHE A 9 19.801 8.967 1.251 1.00 0.00 C ATOM 86 CD1 PHE A 9 20.490 8.232 2.165 1.00 0.00 C ATOM 87 CD2 PHE A 9 20.460 9.846 0.449 1.00 0.00 C ATOM 88 CE1 PHE A 9 21.897 8.383 2.282 1.00 0.00 C ATOM 89 CE2 PHE A 9 21.867 9.996 0.566 1.00 0.00 C ATOM 90 CZ PHE A 9 22.556 9.261 1.479 1.00 0.00 C ATOM 0 H PHE A 9 16.297 7.369 1.393 1.00 0.00 H new ATOM 0 HA PHE A 9 18.259 8.479 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 9 18.073 7.933 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 9 17.879 9.672 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 9 19.967 7.534 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 9 19.913 10.430 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 9 22.444 7.801 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 9 22.390 10.694 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 9 23.626 9.374 1.567 1.00 0.00 H new ATOM 100 N CYS A 10 15.755 10.164 1.965 1.00 0.00 N ATOM 101 CA CYS A 10 14.928 11.347 2.133 1.00 0.00 C ATOM 102 C CYS A 10 13.743 11.244 1.171 1.00 0.00 C ATOM 103 O CYS A 10 13.820 10.552 0.157 1.00 0.00 O ATOM 104 CB CYS A 10 15.728 12.633 1.919 1.00 0.00 C ATOM 105 SG CYS A 10 15.004 13.993 2.906 1.00 0.00 S ATOM 0 H CYS A 10 15.474 9.552 1.199 1.00 0.00 H new ATOM 0 HA CYS A 10 14.560 11.394 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 10 16.767 12.477 2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.727 12.900 0.862 1.00 0.00 H new ATOM 0 HG CYS A 10 15.693 15.080 2.718 1.00 0.00 H new ATOM 111 N ALA A 11 12.674 11.945 1.522 1.00 0.00 N ATOM 112 CA ALA A 11 11.475 11.942 0.701 1.00 0.00 C ATOM 113 C ALA A 11 10.809 13.317 0.773 1.00 0.00 C ATOM 114 O ALA A 11 10.885 13.995 1.797 1.00 0.00 O ATOM 115 CB ALA A 11 10.544 10.818 1.162 1.00 0.00 C ATOM 0 H ALA A 11 12.614 12.518 2.363 1.00 0.00 H new ATOM 0 HA ALA A 11 11.725 11.751 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.644 10.815 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.054 9.860 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.270 10.977 2.205 1.00 0.00 H new ATOM 121 N MET A 12 10.172 13.689 -0.327 1.00 0.00 N ATOM 122 CA MET A 12 9.493 14.972 -0.401 1.00 0.00 C ATOM 123 C MET A 12 8.071 14.810 -0.942 1.00 0.00 C ATOM 124 O MET A 12 7.874 14.262 -2.026 1.00 0.00 O ATOM 125 CB MET A 12 10.282 15.915 -1.313 1.00 0.00 C ATOM 126 CG MET A 12 11.242 16.786 -0.501 1.00 0.00 C ATOM 127 SD MET A 12 10.332 18.052 0.368 1.00 0.00 S ATOM 128 CE MET A 12 11.315 18.176 1.853 1.00 0.00 C ATOM 0 H MET A 12 10.111 13.125 -1.175 1.00 0.00 H new ATOM 0 HA MET A 12 9.434 15.389 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 12 10.843 15.334 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.593 16.549 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.792 16.170 0.210 1.00 0.00 H new ATOM 0 HG3 MET A 12 11.978 17.244 -1.162 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.884 18.929 2.513 1.00 0.00 H new ATOM 0 HE2 MET A 12 11.329 17.212 2.362 1.00 0.00 H new ATOM 0 HE3 MET A 12 12.334 18.463 1.592 1.00 0.00 H new ATOM 138 N GLU A 13 7.117 15.296 -0.162 1.00 0.00 N ATOM 139 CA GLU A 13 5.719 15.211 -0.549 1.00 0.00 C ATOM 140 C GLU A 13 5.502 15.884 -1.906 1.00 0.00 C ATOM 141 O GLU A 13 5.671 17.096 -2.036 1.00 0.00 O ATOM 142 CB GLU A 13 4.816 15.829 0.520 1.00 0.00 C ATOM 143 CG GLU A 13 5.036 17.340 0.617 1.00 0.00 C ATOM 144 CD GLU A 13 4.856 17.829 2.056 1.00 0.00 C ATOM 145 OE1 GLU A 13 5.208 17.050 2.968 1.00 0.00 O ATOM 146 OE2 GLU A 13 4.371 18.971 2.211 1.00 0.00 O ATOM 0 H GLU A 13 7.284 15.750 0.736 1.00 0.00 H new ATOM 0 HA GLU A 13 5.451 14.158 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.772 15.624 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.020 15.366 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.038 17.588 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.333 17.856 -0.037 1.00 0.00 H new ATOM 153 N ASN A 14 5.132 15.069 -2.883 1.00 0.00 N ATOM 154 CA ASN A 14 4.890 15.570 -4.225 1.00 0.00 C ATOM 155 C ASN A 14 4.019 14.571 -4.989 1.00 0.00 C ATOM 156 O ASN A 14 3.004 14.947 -5.573 1.00 0.00 O ATOM 157 CB ASN A 14 6.202 15.738 -4.994 1.00 0.00 C ATOM 158 CG ASN A 14 6.102 16.883 -6.004 1.00 0.00 C ATOM 159 OD1 ASN A 14 6.579 17.984 -5.783 1.00 0.00 O ATOM 160 ND2 ASN A 14 5.458 16.563 -7.123 1.00 0.00 N ATOM 0 H ASN A 14 4.994 14.065 -2.772 1.00 0.00 H new ATOM 0 HA ASN A 14 4.395 16.537 -4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.015 15.935 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.445 14.811 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.339 17.258 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.083 15.622 -7.244 1.00 0.00 H new ATOM 167 N GLN A 15 4.447 13.318 -4.959 1.00 0.00 N ATOM 168 CA GLN A 15 3.719 12.262 -5.642 1.00 0.00 C ATOM 169 C GLN A 15 2.836 11.500 -4.651 1.00 0.00 C ATOM 170 O GLN A 15 3.034 11.591 -3.440 1.00 0.00 O ATOM 171 CB GLN A 15 4.677 11.313 -6.364 1.00 0.00 C ATOM 172 CG GLN A 15 4.189 11.017 -7.784 1.00 0.00 C ATOM 173 CD GLN A 15 5.287 11.299 -8.811 1.00 0.00 C ATOM 174 OE1 GLN A 15 6.439 10.934 -8.643 1.00 0.00 O ATOM 175 NE2 GLN A 15 4.867 11.968 -9.882 1.00 0.00 N ATOM 0 H GLN A 15 5.289 13.010 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 15 3.077 12.719 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.672 11.755 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.763 10.382 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.878 9.975 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.313 11.627 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.888 12.244 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.524 12.205 -10.625 1.00 0.00 H new ATOM 184 N VAL A 16 1.881 10.766 -5.202 1.00 0.00 N ATOM 185 CA VAL A 16 0.967 9.989 -4.381 1.00 0.00 C ATOM 186 C VAL A 16 1.301 8.502 -4.522 1.00 0.00 C ATOM 187 O VAL A 16 1.981 8.102 -5.466 1.00 0.00 O ATOM 188 CB VAL A 16 -0.480 10.314 -4.757 1.00 0.00 C ATOM 189 CG1 VAL A 16 -0.754 11.814 -4.630 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.807 9.814 -6.165 1.00 0.00 C ATOM 0 H VAL A 16 1.720 10.693 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 16 1.082 10.251 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.134 9.793 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.789 12.019 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.580 12.130 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.088 12.363 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.841 10.058 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.143 10.293 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.669 8.734 -6.209 1.00 0.00 H new ATOM 200 N LEU A 17 0.807 7.725 -3.570 1.00 0.00 N ATOM 201 CA LEU A 17 1.045 6.291 -3.576 1.00 0.00 C ATOM 202 C LEU A 17 -0.085 5.595 -4.338 1.00 0.00 C ATOM 203 O LEU A 17 -1.236 6.024 -4.278 1.00 0.00 O ATOM 204 CB LEU A 17 1.234 5.773 -2.149 1.00 0.00 C ATOM 205 CG LEU A 17 1.054 4.267 -1.952 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.392 3.535 -2.070 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.350 3.966 -0.627 1.00 0.00 C ATOM 0 H LEU A 17 0.243 8.061 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 17 1.973 6.061 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.235 6.046 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.528 6.291 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 17 0.411 3.893 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.236 2.466 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.816 3.710 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.079 3.907 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.235 2.888 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.945 4.357 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.632 4.438 -0.621 1.00 0.00 H new ATOM 219 N VAL A 18 0.285 4.532 -5.038 1.00 0.00 N ATOM 220 CA VAL A 18 -0.683 3.772 -5.811 1.00 0.00 C ATOM 221 C VAL A 18 -0.599 2.296 -5.415 1.00 0.00 C ATOM 222 O VAL A 18 0.396 1.630 -5.696 1.00 0.00 O ATOM 223 CB VAL A 18 -0.456 4.004 -7.306 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.438 3.182 -8.143 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.553 5.491 -7.651 1.00 0.00 C ATOM 0 H VAL A 18 1.241 4.179 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.696 4.110 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 18 0.553 3.669 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.255 3.365 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.300 2.122 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.459 3.472 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.388 5.628 -8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.543 5.862 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.203 6.044 -7.093 1.00 0.00 H new ATOM 235 N ILE A 19 -1.658 1.829 -4.770 1.00 0.00 N ATOM 236 CA ILE A 19 -1.717 0.444 -4.333 1.00 0.00 C ATOM 237 C ILE A 19 -2.445 -0.389 -5.390 1.00 0.00 C ATOM 238 O ILE A 19 -3.615 -0.143 -5.681 1.00 0.00 O ATOM 239 CB ILE A 19 -2.338 0.348 -2.938 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.460 1.046 -1.898 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.623 -1.108 -2.564 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.254 1.350 -0.626 1.00 0.00 C ATOM 0 H ILE A 19 -2.482 2.385 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.713 0.031 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.295 0.870 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.605 0.414 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.064 1.972 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.064 -1.148 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.316 -1.540 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.692 -1.675 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.607 1.846 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.094 2.001 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.628 0.419 -0.199 1.00 0.00 H new ATOM 254 N ARG A 20 -1.724 -1.357 -5.935 1.00 0.00 N ATOM 255 CA ARG A 20 -2.287 -2.228 -6.953 1.00 0.00 C ATOM 256 C ARG A 20 -2.794 -3.525 -6.320 1.00 0.00 C ATOM 257 O ARG A 20 -2.009 -4.426 -6.028 1.00 0.00 O ATOM 258 CB ARG A 20 -1.250 -2.563 -8.026 1.00 0.00 C ATOM 259 CG ARG A 20 -1.712 -3.740 -8.887 1.00 0.00 C ATOM 260 CD ARG A 20 -0.680 -4.069 -9.967 1.00 0.00 C ATOM 261 NE ARG A 20 -1.007 -5.365 -10.603 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.141 -6.086 -11.327 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.110 -5.644 -11.511 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.526 -7.251 -11.867 1.00 0.00 N ATOM 0 H ARG A 20 -0.754 -1.558 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.118 -1.699 -7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.080 -1.691 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.298 -2.805 -7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.875 -4.614 -8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.668 -3.501 -9.353 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.664 -3.280 -10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.317 -4.111 -9.528 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.951 -5.732 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.404 -4.758 -11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.769 -6.193 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.478 -7.588 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.133 -7.800 -12.418 1.00 0.00 H new ATOM 278 N ILE A 21 -4.104 -3.579 -6.128 1.00 0.00 N ATOM 279 CA ILE A 21 -4.725 -4.752 -5.535 1.00 0.00 C ATOM 280 C ILE A 21 -4.801 -5.867 -6.580 1.00 0.00 C ATOM 281 O ILE A 21 -5.464 -5.717 -7.605 1.00 0.00 O ATOM 282 CB ILE A 21 -6.080 -4.389 -4.924 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.904 -3.521 -3.676 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.906 -5.644 -4.637 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.883 -2.035 -4.040 1.00 0.00 C ATOM 0 H ILE A 21 -4.752 -2.830 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.119 -5.128 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.635 -3.798 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.716 -3.716 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.976 -3.788 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.864 -5.358 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.076 -6.188 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.367 -6.282 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.757 -1.441 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.055 -1.839 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.822 -1.765 -4.523 1.00 0.00 H new ATOM 297 N LYS A 22 -4.112 -6.959 -6.284 1.00 0.00 N ATOM 298 CA LYS A 22 -4.093 -8.099 -7.185 1.00 0.00 C ATOM 299 C LYS A 22 -5.468 -8.771 -7.179 1.00 0.00 C ATOM 300 O LYS A 22 -5.794 -9.517 -6.257 1.00 0.00 O ATOM 301 CB LYS A 22 -2.945 -9.045 -6.829 1.00 0.00 C ATOM 302 CG LYS A 22 -1.842 -8.991 -7.888 1.00 0.00 C ATOM 303 CD LYS A 22 -2.386 -9.372 -9.266 1.00 0.00 C ATOM 304 CE LYS A 22 -1.579 -10.518 -9.878 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.277 -11.808 -9.679 1.00 0.00 N ATOM 0 H LYS A 22 -3.563 -7.079 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.901 -7.773 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.534 -8.774 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.322 -10.064 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.418 -7.988 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.034 -9.669 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.432 -9.665 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.352 -8.506 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.431 -10.338 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.590 -10.559 -9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.715 -12.575 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.396 -11.985 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.211 -11.771 -10.135 1.00 0.00 H new ATOM 319 N ILE A 23 -6.236 -8.483 -8.219 1.00 0.00 N ATOM 320 CA ILE A 23 -7.568 -9.051 -8.346 1.00 0.00 C ATOM 321 C ILE A 23 -7.456 -10.509 -8.795 1.00 0.00 C ATOM 322 O ILE A 23 -6.611 -10.844 -9.624 1.00 0.00 O ATOM 323 CB ILE A 23 -8.433 -8.188 -9.267 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.318 -6.708 -8.899 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.886 -8.668 -9.264 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.539 -6.244 -8.103 1.00 0.00 C ATOM 0 H ILE A 23 -5.962 -7.864 -8.982 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.075 -9.053 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.060 -8.297 -10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.414 -6.545 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.222 -6.111 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.479 -8.037 -9.927 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.929 -9.700 -9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.287 -8.609 -8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.431 -5.188 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.439 -6.386 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.618 -6.827 -7.185 1.00 0.00 H new ATOM 338 N PRO A 24 -8.343 -11.360 -8.213 1.00 0.00 N ATOM 339 CA PRO A 24 -8.351 -12.774 -8.544 1.00 0.00 C ATOM 340 C PRO A 24 -8.976 -13.011 -9.921 1.00 0.00 C ATOM 341 O PRO A 24 -10.160 -12.749 -10.123 1.00 0.00 O ATOM 342 CB PRO A 24 -9.127 -13.438 -7.418 1.00 0.00 C ATOM 343 CG PRO A 24 -9.919 -12.327 -6.747 1.00 0.00 C ATOM 344 CD PRO A 24 -9.357 -10.999 -7.227 1.00 0.00 C ATOM 0 HA PRO A 24 -7.348 -13.194 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.790 -14.212 -7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.453 -13.920 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.977 -12.407 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.842 -12.405 -5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.135 -10.376 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.924 -10.431 -6.403 1.00 0.00 H new ATOM 352 N ASN A 25 -8.150 -13.503 -10.833 1.00 0.00 N ATOM 353 CA ASN A 25 -8.606 -13.778 -12.185 1.00 0.00 C ATOM 354 C ASN A 25 -9.512 -12.638 -12.654 1.00 0.00 C ATOM 355 O ASN A 25 -10.725 -12.810 -12.764 1.00 0.00 O ATOM 356 CB ASN A 25 -9.413 -15.077 -12.241 1.00 0.00 C ATOM 357 CG ASN A 25 -8.532 -16.251 -12.671 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.499 -16.088 -13.299 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.997 -17.441 -12.300 1.00 0.00 N ATOM 0 H ASN A 25 -7.168 -13.718 -10.662 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.728 -13.871 -12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.847 -15.282 -11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.242 -14.965 -12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.481 -18.288 -12.540 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.869 -17.507 -11.775 1.00 0.00 H new ATOM 366 N SER A 26 -8.888 -11.499 -12.918 1.00 0.00 N ATOM 367 CA SER A 26 -9.623 -10.331 -13.373 1.00 0.00 C ATOM 368 C SER A 26 -8.648 -9.242 -13.823 1.00 0.00 C ATOM 369 O SER A 26 -8.863 -8.596 -14.848 1.00 0.00 O ATOM 370 CB SER A 26 -10.545 -9.798 -12.275 1.00 0.00 C ATOM 371 OG SER A 26 -11.889 -9.659 -12.726 1.00 0.00 O ATOM 0 H SER A 26 -7.882 -11.360 -12.825 1.00 0.00 H new ATOM 0 HA SER A 26 -10.244 -10.626 -14.219 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.518 -10.473 -11.420 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.177 -8.832 -11.930 1.00 0.00 H new ATOM 0 HG SER A 26 -12.446 -9.318 -11.995 1.00 0.00 H new ATOM 377 N GLY A 27 -7.596 -9.072 -13.036 1.00 0.00 N ATOM 378 CA GLY A 27 -6.587 -8.072 -13.341 1.00 0.00 C ATOM 379 C GLY A 27 -5.995 -7.482 -12.059 1.00 0.00 C ATOM 380 O GLY A 27 -5.308 -8.176 -11.311 1.00 0.00 O ATOM 0 H GLY A 27 -7.420 -9.610 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.794 -8.521 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.028 -7.277 -13.942 1.00 0.00 H new ATOM 384 N ALA A 28 -6.284 -6.207 -11.844 1.00 0.00 N ATOM 385 CA ALA A 28 -5.789 -5.516 -10.666 1.00 0.00 C ATOM 386 C ALA A 28 -6.311 -4.077 -10.667 1.00 0.00 C ATOM 387 O ALA A 28 -6.407 -3.449 -11.720 1.00 0.00 O ATOM 388 CB ALA A 28 -4.261 -5.581 -10.640 1.00 0.00 C ATOM 0 H ALA A 28 -6.855 -5.634 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.151 -5.998 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.890 -5.062 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.942 -6.623 -10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.861 -5.104 -11.535 1.00 0.00 H new ATOM 394 N VAL A 29 -6.633 -3.598 -9.475 1.00 0.00 N ATOM 395 CA VAL A 29 -7.143 -2.245 -9.325 1.00 0.00 C ATOM 396 C VAL A 29 -6.125 -1.405 -8.551 1.00 0.00 C ATOM 397 O VAL A 29 -5.433 -1.916 -7.672 1.00 0.00 O ATOM 398 CB VAL A 29 -8.521 -2.276 -8.662 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.941 -0.877 -8.204 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.567 -2.883 -9.599 1.00 0.00 C ATOM 0 H VAL A 29 -6.551 -4.122 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.277 -1.776 -10.300 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.453 -2.911 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.924 -0.927 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.216 -0.497 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.983 -0.210 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.538 -2.893 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.631 -2.286 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.279 -3.903 -9.854 1.00 0.00 H new ATOM 410 N ASP A 30 -6.067 -0.129 -8.905 1.00 0.00 N ATOM 411 CA ASP A 30 -5.146 0.787 -8.255 1.00 0.00 C ATOM 412 C ASP A 30 -5.929 1.715 -7.325 1.00 0.00 C ATOM 413 O ASP A 30 -6.849 2.406 -7.761 1.00 0.00 O ATOM 414 CB ASP A 30 -4.415 1.654 -9.282 1.00 0.00 C ATOM 415 CG ASP A 30 -5.185 2.889 -9.752 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.258 2.690 -10.361 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.684 4.004 -9.491 1.00 0.00 O ATOM 0 H ASP A 30 -6.643 0.292 -9.634 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.418 0.196 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.467 1.977 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.178 1.040 -10.151 1.00 0.00 H new ATOM 422 N TRP A 31 -5.535 1.702 -6.060 1.00 0.00 N ATOM 423 CA TRP A 31 -6.189 2.535 -5.064 1.00 0.00 C ATOM 424 C TRP A 31 -5.376 3.822 -4.916 1.00 0.00 C ATOM 425 O TRP A 31 -4.320 3.825 -4.285 1.00 0.00 O ATOM 426 CB TRP A 31 -6.358 1.780 -3.744 1.00 0.00 C ATOM 427 CG TRP A 31 -6.608 2.686 -2.537 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.265 3.854 -2.503 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.175 2.450 -1.180 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.287 4.385 -1.230 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.604 3.504 -0.400 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.446 1.381 -0.631 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.352 3.593 0.975 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.203 1.484 0.744 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.627 2.539 1.544 1.00 0.00 C ATOM 0 H TRP A 31 -4.772 1.128 -5.702 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.198 2.796 -5.382 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.190 1.082 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.463 1.186 -3.560 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.720 4.321 -3.364 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.724 5.263 -0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.101 0.546 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.698 4.429 1.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.647 0.688 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.398 2.546 2.599 1.00 0.00 H new ATOM 446 N THR A 32 -5.898 4.886 -5.509 1.00 0.00 N ATOM 447 CA THR A 32 -5.234 6.177 -5.452 1.00 0.00 C ATOM 448 C THR A 32 -5.027 6.606 -3.998 1.00 0.00 C ATOM 449 O THR A 32 -5.950 7.108 -3.358 1.00 0.00 O ATOM 450 CB THR A 32 -6.062 7.171 -6.267 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.602 8.447 -5.830 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.542 7.157 -5.880 1.00 0.00 C ATOM 0 H THR A 32 -6.774 4.880 -6.032 1.00 0.00 H new ATOM 0 HA THR A 32 -4.237 6.129 -5.889 1.00 0.00 H new ATOM 0 HB THR A 32 -5.962 6.942 -7.328 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.700 9.097 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.084 7.881 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.953 6.161 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.645 7.419 -4.827 1.00 0.00 H new ATOM 460 N VAL A 33 -3.811 6.393 -3.519 1.00 0.00 N ATOM 461 CA VAL A 33 -3.471 6.751 -2.152 1.00 0.00 C ATOM 462 C VAL A 33 -2.623 8.025 -2.159 1.00 0.00 C ATOM 463 O VAL A 33 -1.556 8.061 -2.770 1.00 0.00 O ATOM 464 CB VAL A 33 -2.779 5.576 -1.459 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.362 5.948 -0.035 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.672 4.334 -1.463 1.00 0.00 C ATOM 0 H VAL A 33 -3.048 5.977 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.373 6.963 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.876 5.340 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.872 5.095 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.672 6.791 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.245 6.223 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.156 3.513 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.601 4.552 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.896 4.050 -2.491 1.00 0.00 H new ATOM 476 N HIS A 34 -3.130 9.039 -1.474 1.00 0.00 N ATOM 477 CA HIS A 34 -2.433 10.311 -1.394 1.00 0.00 C ATOM 478 C HIS A 34 -1.653 10.387 -0.080 1.00 0.00 C ATOM 479 O HIS A 34 -0.574 10.975 -0.027 1.00 0.00 O ATOM 480 CB HIS A 34 -3.407 11.477 -1.573 1.00 0.00 C ATOM 481 CG HIS A 34 -4.265 11.376 -2.812 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.459 12.438 -3.678 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.976 10.329 -3.320 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.254 12.037 -4.660 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.573 10.730 -4.436 1.00 0.00 N ATOM 0 H HIS A 34 -4.016 9.006 -0.969 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.713 10.387 -2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.055 11.533 -0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.841 12.408 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.042 9.341 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.590 12.639 -5.491 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.172 10.155 -5.029 1.00 0.00 H new ATOM 493 N SER A 35 -2.230 9.783 0.949 1.00 0.00 N ATOM 494 CA SER A 35 -1.602 9.775 2.259 1.00 0.00 C ATOM 495 C SER A 35 -0.678 8.563 2.389 1.00 0.00 C ATOM 496 O SER A 35 -0.758 7.818 3.366 1.00 0.00 O ATOM 497 CB SER A 35 -2.652 9.764 3.373 1.00 0.00 C ATOM 498 OG SER A 35 -2.883 11.068 3.901 1.00 0.00 O ATOM 0 H SER A 35 -3.125 9.296 0.902 1.00 0.00 H new ATOM 0 HA SER A 35 -1.012 10.686 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.587 9.358 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.324 9.101 4.174 1.00 0.00 H new ATOM 0 HG SER A 35 -3.560 11.020 4.608 1.00 0.00 H new ATOM 504 N GLY A 36 0.178 8.401 1.391 1.00 0.00 N ATOM 505 CA GLY A 36 1.116 7.292 1.382 1.00 0.00 C ATOM 506 C GLY A 36 1.656 7.019 2.787 1.00 0.00 C ATOM 507 O GLY A 36 1.598 5.889 3.270 1.00 0.00 O ATOM 0 H GLY A 36 0.241 9.020 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.624 6.398 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.943 7.516 0.708 1.00 0.00 H new ATOM 511 N PRO A 37 2.184 8.101 3.420 1.00 0.00 N ATOM 512 CA PRO A 37 2.734 7.989 4.760 1.00 0.00 C ATOM 513 C PRO A 37 1.620 7.878 5.803 1.00 0.00 C ATOM 514 O PRO A 37 1.677 7.028 6.690 1.00 0.00 O ATOM 515 CB PRO A 37 3.593 9.230 4.937 1.00 0.00 C ATOM 516 CG PRO A 37 3.126 10.215 3.878 1.00 0.00 C ATOM 517 CD PRO A 37 2.270 9.454 2.879 1.00 0.00 C ATOM 0 HA PRO A 37 3.329 7.086 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.475 9.647 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.650 8.994 4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.554 11.023 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.980 10.672 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.282 9.904 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.722 9.456 1.887 1.00 0.00 H new ATOM 525 N GLN A 38 0.633 8.751 5.662 1.00 0.00 N ATOM 526 CA GLN A 38 -0.492 8.762 6.581 1.00 0.00 C ATOM 527 C GLN A 38 -1.489 7.662 6.213 1.00 0.00 C ATOM 528 O GLN A 38 -2.676 7.929 6.034 1.00 0.00 O ATOM 529 CB GLN A 38 -1.171 10.133 6.600 1.00 0.00 C ATOM 530 CG GLN A 38 -1.996 10.319 7.875 1.00 0.00 C ATOM 531 CD GLN A 38 -2.506 11.757 7.993 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.498 12.526 7.046 1.00 0.00 O ATOM 533 NE2 GLN A 38 -2.949 12.076 9.206 1.00 0.00 N ATOM 0 H GLN A 38 0.589 9.455 4.925 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.117 8.564 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.417 10.917 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.816 10.235 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.840 9.629 7.870 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.388 10.072 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.928 11.384 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.310 13.013 9.387 1.00 0.00 H new ATOM 542 N LEU A 39 -0.970 6.447 6.110 1.00 0.00 N ATOM 543 CA LEU A 39 -1.800 5.305 5.767 1.00 0.00 C ATOM 544 C LEU A 39 -1.731 4.273 6.894 1.00 0.00 C ATOM 545 O LEU A 39 -0.664 4.034 7.458 1.00 0.00 O ATOM 546 CB LEU A 39 -1.404 4.748 4.398 1.00 0.00 C ATOM 547 CG LEU A 39 -2.312 3.654 3.831 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.687 4.217 3.467 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.648 2.951 2.645 1.00 0.00 C ATOM 0 H LEU A 39 0.015 6.229 6.258 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.843 5.606 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.375 5.573 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.391 4.352 4.468 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.467 2.903 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.312 3.419 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.157 4.634 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.573 5.000 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.314 2.178 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.444 3.678 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.713 2.495 2.969 1.00 0.00 H new ATOM 561 N LEU A 40 -2.883 3.688 7.188 1.00 0.00 N ATOM 562 CA LEU A 40 -2.967 2.686 8.238 1.00 0.00 C ATOM 563 C LEU A 40 -3.317 1.332 7.618 1.00 0.00 C ATOM 564 O LEU A 40 -3.781 1.267 6.480 1.00 0.00 O ATOM 565 CB LEU A 40 -3.942 3.134 9.328 1.00 0.00 C ATOM 566 CG LEU A 40 -3.522 4.360 10.142 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.694 4.902 10.962 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.307 4.046 11.018 1.00 0.00 C ATOM 0 H LEU A 40 -3.766 3.888 6.718 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.003 2.570 8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.905 3.344 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.095 2.302 10.015 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.225 5.146 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.368 5.773 11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.505 5.189 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.045 4.131 11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.029 4.934 11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.554 3.237 11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.472 3.743 10.387 1.00 0.00 H new ATOM 580 N PHE A 41 -3.083 0.284 8.393 1.00 0.00 N ATOM 581 CA PHE A 41 -3.368 -1.065 7.935 1.00 0.00 C ATOM 582 C PHE A 41 -4.858 -1.240 7.638 1.00 0.00 C ATOM 583 O PHE A 41 -5.228 -1.785 6.599 1.00 0.00 O ATOM 584 CB PHE A 41 -2.970 -2.015 9.066 1.00 0.00 C ATOM 585 CG PHE A 41 -3.185 -3.495 8.740 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.535 -4.060 7.687 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.025 -4.244 9.503 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.734 -5.433 7.385 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.224 -5.617 9.200 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.575 -6.183 8.148 1.00 0.00 C ATOM 0 H PHE A 41 -2.699 0.342 9.336 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.816 -1.271 7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.919 -1.856 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.544 -1.763 9.958 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.868 -3.465 7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.541 -3.795 10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.218 -5.882 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.891 -6.212 9.806 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.727 -7.227 7.918 1.00 0.00 H new ATOM 600 N ARG A 42 -5.674 -0.767 8.569 1.00 0.00 N ATOM 601 CA ARG A 42 -7.116 -0.864 8.420 1.00 0.00 C ATOM 602 C ARG A 42 -7.559 -0.215 7.107 1.00 0.00 C ATOM 603 O ARG A 42 -8.297 -0.819 6.330 1.00 0.00 O ATOM 604 CB ARG A 42 -7.837 -0.185 9.586 1.00 0.00 C ATOM 605 CG ARG A 42 -7.357 -0.742 10.927 1.00 0.00 C ATOM 606 CD ARG A 42 -7.488 -2.266 10.966 1.00 0.00 C ATOM 607 NE ARG A 42 -8.803 -2.675 10.423 1.00 0.00 N ATOM 608 CZ ARG A 42 -9.067 -3.894 9.934 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.110 -4.831 9.917 1.00 0.00 N ATOM 610 NH2 ARG A 42 -10.289 -4.176 9.463 1.00 0.00 N ATOM 0 H ARG A 42 -5.364 -0.315 9.429 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.378 -1.922 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.661 0.890 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.912 -0.335 9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.317 -0.458 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.939 -0.302 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.687 -2.723 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.382 -2.622 11.991 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.555 -1.986 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.180 -4.617 10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.311 -5.759 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.018 -3.463 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.490 -5.104 9.091 1.00 0.00 H new ATOM 624 N ASP A 43 -7.090 1.007 6.901 1.00 0.00 N ATOM 625 CA ASP A 43 -7.429 1.745 5.695 1.00 0.00 C ATOM 626 C ASP A 43 -7.349 0.807 4.489 1.00 0.00 C ATOM 627 O ASP A 43 -8.276 0.745 3.684 1.00 0.00 O ATOM 628 CB ASP A 43 -6.451 2.898 5.463 1.00 0.00 C ATOM 629 CG ASP A 43 -6.856 4.228 6.103 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.068 4.387 6.363 1.00 0.00 O ATOM 631 OD2 ASP A 43 -5.944 5.055 6.318 1.00 0.00 O ATOM 0 H ASP A 43 -6.478 1.505 7.548 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.436 2.144 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.474 2.609 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.338 3.048 4.389 1.00 0.00 H new ATOM 636 N VAL A 44 -6.231 0.100 4.403 1.00 0.00 N ATOM 637 CA VAL A 44 -6.018 -0.832 3.308 1.00 0.00 C ATOM 638 C VAL A 44 -7.181 -1.824 3.255 1.00 0.00 C ATOM 639 O VAL A 44 -7.775 -2.033 2.199 1.00 0.00 O ATOM 640 CB VAL A 44 -4.657 -1.514 3.460 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.444 -2.562 2.366 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.525 -0.485 3.460 1.00 0.00 C ATOM 0 H VAL A 44 -5.464 0.154 5.073 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.998 -0.304 2.355 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.645 -2.026 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.469 -3.032 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.224 -3.320 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.487 -2.081 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.569 -0.996 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.536 0.068 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.663 0.208 4.290 1.00 0.00 H new ATOM 652 N LEU A 45 -7.472 -2.409 4.408 1.00 0.00 N ATOM 653 CA LEU A 45 -8.553 -3.374 4.506 1.00 0.00 C ATOM 654 C LEU A 45 -9.879 -2.683 4.182 1.00 0.00 C ATOM 655 O LEU A 45 -10.749 -3.269 3.540 1.00 0.00 O ATOM 656 CB LEU A 45 -8.536 -4.062 5.873 1.00 0.00 C ATOM 657 CG LEU A 45 -7.350 -4.991 6.141 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.901 -5.692 4.857 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.202 -4.235 6.813 1.00 0.00 C ATOM 0 H LEU A 45 -6.977 -2.233 5.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.420 -4.170 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.551 -3.293 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.455 -4.638 5.979 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.674 -5.767 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.057 -6.346 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.725 -6.284 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.601 -4.946 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.372 -4.918 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.871 -3.424 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.544 -3.823 7.762 1.00 0.00 H new ATOM 671 N ASP A 46 -9.992 -1.445 4.642 1.00 0.00 N ATOM 672 CA ASP A 46 -11.197 -0.667 4.409 1.00 0.00 C ATOM 673 C ASP A 46 -11.363 -0.430 2.907 1.00 0.00 C ATOM 674 O ASP A 46 -12.481 -0.263 2.422 1.00 0.00 O ATOM 675 CB ASP A 46 -11.114 0.696 5.098 1.00 0.00 C ATOM 676 CG ASP A 46 -11.721 0.751 6.501 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.888 -0.339 7.090 1.00 0.00 O ATOM 678 OD2 ASP A 46 -12.005 1.881 6.953 1.00 0.00 O ATOM 0 H ASP A 46 -9.269 -0.962 5.175 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.042 -1.224 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.067 0.991 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.617 1.433 4.472 1.00 0.00 H new ATOM 683 N VAL A 47 -10.235 -0.422 2.213 1.00 0.00 N ATOM 684 CA VAL A 47 -10.242 -0.207 0.776 1.00 0.00 C ATOM 685 C VAL A 47 -10.446 -1.547 0.066 1.00 0.00 C ATOM 686 O VAL A 47 -11.439 -1.736 -0.636 1.00 0.00 O ATOM 687 CB VAL A 47 -8.958 0.507 0.348 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.861 0.592 -1.177 1.00 0.00 C ATOM 689 CG2 VAL A 47 -8.866 1.896 0.981 1.00 0.00 C ATOM 0 H VAL A 47 -9.310 -0.561 2.619 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.070 0.442 0.490 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.113 -0.081 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.940 1.104 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.859 -0.413 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.715 1.146 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.944 2.382 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.720 2.496 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.868 1.802 2.067 1.00 0.00 H new ATOM 699 N ILE A 48 -9.491 -2.442 0.272 1.00 0.00 N ATOM 700 CA ILE A 48 -9.554 -3.758 -0.340 1.00 0.00 C ATOM 701 C ILE A 48 -10.997 -4.264 -0.304 1.00 0.00 C ATOM 702 O ILE A 48 -11.510 -4.761 -1.306 1.00 0.00 O ATOM 703 CB ILE A 48 -8.553 -4.706 0.324 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.117 -4.346 -0.062 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.885 -6.165 0.004 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.115 -5.269 0.633 1.00 0.00 C ATOM 0 H ILE A 48 -8.669 -2.281 0.854 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.261 -3.705 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.634 -4.587 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.997 -4.421 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.912 -3.310 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.159 -6.818 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.884 -6.400 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.849 -6.318 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.102 -4.992 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.221 -5.173 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.307 -6.301 0.340 1.00 0.00 H new ATOM 718 N GLY A 49 -11.613 -4.120 0.861 1.00 0.00 N ATOM 719 CA GLY A 49 -12.987 -4.556 1.040 1.00 0.00 C ATOM 720 C GLY A 49 -13.853 -4.145 -0.152 1.00 0.00 C ATOM 721 O GLY A 49 -14.679 -4.925 -0.623 1.00 0.00 O ATOM 0 H GLY A 49 -11.185 -3.707 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.016 -5.639 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.393 -4.124 1.955 1.00 0.00 H new ATOM 725 N GLN A 50 -13.634 -2.920 -0.607 1.00 0.00 N ATOM 726 CA GLN A 50 -14.384 -2.395 -1.736 1.00 0.00 C ATOM 727 C GLN A 50 -13.985 -3.122 -3.022 1.00 0.00 C ATOM 728 O GLN A 50 -14.820 -3.345 -3.898 1.00 0.00 O ATOM 729 CB GLN A 50 -14.183 -0.885 -1.874 1.00 0.00 C ATOM 730 CG GLN A 50 -14.523 -0.165 -0.568 1.00 0.00 C ATOM 731 CD GLN A 50 -15.517 0.973 -0.812 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.653 0.765 -1.204 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.028 2.183 -0.558 1.00 0.00 N ATOM 0 H GLN A 50 -12.948 -2.276 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.445 -2.571 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.150 -0.676 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.812 -0.503 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.945 -0.875 0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.612 0.233 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.067 2.287 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.614 3.008 -0.689 1.00 0.00 H new ATOM 742 N VAL A 51 -12.709 -3.471 -3.095 1.00 0.00 N ATOM 743 CA VAL A 51 -12.189 -4.167 -4.259 1.00 0.00 C ATOM 744 C VAL A 51 -12.684 -5.615 -4.245 1.00 0.00 C ATOM 745 O VAL A 51 -13.034 -6.165 -5.288 1.00 0.00 O ATOM 746 CB VAL A 51 -10.664 -4.058 -4.297 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.106 -4.610 -5.610 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.212 -2.613 -4.073 1.00 0.00 C ATOM 0 H VAL A 51 -12.020 -3.285 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.557 -3.705 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.265 -4.664 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.020 -4.520 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.383 -5.659 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.517 -4.044 -6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.124 -2.563 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.627 -1.977 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.563 -2.269 -3.100 1.00 0.00 H new ATOM 758 N LEU A 52 -12.699 -6.190 -3.052 1.00 0.00 N ATOM 759 CA LEU A 52 -13.146 -7.563 -2.888 1.00 0.00 C ATOM 760 C LEU A 52 -14.300 -7.604 -1.885 1.00 0.00 C ATOM 761 O LEU A 52 -14.103 -7.947 -0.721 1.00 0.00 O ATOM 762 CB LEU A 52 -11.971 -8.468 -2.511 1.00 0.00 C ATOM 763 CG LEU A 52 -10.946 -8.733 -3.616 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.085 -7.495 -3.874 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.097 -9.964 -3.292 1.00 0.00 C ATOM 0 H LEU A 52 -12.409 -5.730 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.529 -7.953 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.453 -8.022 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.369 -9.425 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.486 -8.947 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.365 -7.711 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.723 -6.666 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.553 -7.225 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.377 -10.130 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.566 -9.803 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.743 -10.837 -3.198 1.00 0.00 H new ATOM 777 N PRO A 53 -15.510 -7.238 -2.386 1.00 0.00 N ATOM 778 CA PRO A 53 -16.696 -7.229 -1.547 1.00 0.00 C ATOM 779 C PRO A 53 -17.195 -8.652 -1.287 1.00 0.00 C ATOM 780 O PRO A 53 -17.921 -8.893 -0.324 1.00 0.00 O ATOM 781 CB PRO A 53 -17.704 -6.375 -2.298 1.00 0.00 C ATOM 782 CG PRO A 53 -17.215 -6.322 -3.737 1.00 0.00 C ATOM 783 CD PRO A 53 -15.781 -6.825 -3.760 1.00 0.00 C ATOM 0 HA PRO A 53 -16.506 -6.818 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.703 -6.808 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.765 -5.375 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.846 -6.938 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.269 -5.303 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.665 -7.658 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.093 -6.044 -4.082 1.00 0.00 H new ATOM 791 N GLU A 54 -16.784 -9.558 -2.163 1.00 0.00 N ATOM 792 CA GLU A 54 -17.180 -10.951 -2.040 1.00 0.00 C ATOM 793 C GLU A 54 -16.003 -11.796 -1.550 1.00 0.00 C ATOM 794 O GLU A 54 -16.118 -13.014 -1.425 1.00 0.00 O ATOM 795 CB GLU A 54 -17.725 -11.485 -3.367 1.00 0.00 C ATOM 796 CG GLU A 54 -18.103 -10.338 -4.306 1.00 0.00 C ATOM 797 CD GLU A 54 -19.128 -9.409 -3.652 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.350 -9.577 -2.433 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.667 -8.553 -4.386 1.00 0.00 O ATOM 0 H GLU A 54 -16.181 -9.355 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.981 -11.018 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.976 -12.118 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.598 -12.110 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.210 -9.771 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.512 -10.741 -5.233 1.00 0.00 H new ATOM 806 N ALA A 55 -14.897 -11.116 -1.287 1.00 0.00 N ATOM 807 CA ALA A 55 -13.699 -11.789 -0.814 1.00 0.00 C ATOM 808 C ALA A 55 -12.955 -10.873 0.160 1.00 0.00 C ATOM 809 O ALA A 55 -11.836 -10.445 -0.117 1.00 0.00 O ATOM 810 CB ALA A 55 -12.835 -12.194 -2.009 1.00 0.00 C ATOM 0 H ALA A 55 -14.805 -10.106 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.959 -12.701 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.937 -12.699 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.399 -12.868 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.553 -11.304 -2.572 1.00 0.00 H new ATOM 816 N THR A 56 -13.608 -10.600 1.281 1.00 0.00 N ATOM 817 CA THR A 56 -13.022 -9.743 2.297 1.00 0.00 C ATOM 818 C THR A 56 -11.562 -10.127 2.543 1.00 0.00 C ATOM 819 O THR A 56 -11.098 -11.158 2.058 1.00 0.00 O ATOM 820 CB THR A 56 -13.894 -9.833 3.551 1.00 0.00 C ATOM 821 OG1 THR A 56 -15.126 -9.233 3.162 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.385 -8.938 4.684 1.00 0.00 C ATOM 0 H THR A 56 -14.536 -10.957 1.507 1.00 0.00 H new ATOM 0 HA THR A 56 -13.000 -8.703 1.972 1.00 0.00 H new ATOM 0 HB THR A 56 -13.930 -10.867 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.751 -9.251 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.039 -9.039 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.373 -9.237 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.380 -7.900 4.353 1.00 0.00 H new ATOM 830 N THR A 57 -10.878 -9.278 3.296 1.00 0.00 N ATOM 831 CA THR A 57 -9.480 -9.517 3.612 1.00 0.00 C ATOM 832 C THR A 57 -9.061 -8.695 4.833 1.00 0.00 C ATOM 833 O THR A 57 -9.566 -7.594 5.047 1.00 0.00 O ATOM 834 CB THR A 57 -8.654 -9.211 2.361 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.327 -10.495 1.838 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.296 -8.587 2.694 1.00 0.00 C ATOM 0 H THR A 57 -11.266 -8.424 3.696 1.00 0.00 H new ATOM 0 HA THR A 57 -9.309 -10.558 3.886 1.00 0.00 H new ATOM 0 HB THR A 57 -9.214 -8.537 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.396 -10.477 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.750 -8.390 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.448 -7.652 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.722 -9.275 3.315 1.00 0.00 H new ATOM 844 N THR A 58 -8.143 -9.261 5.601 1.00 0.00 N ATOM 845 CA THR A 58 -7.651 -8.595 6.795 1.00 0.00 C ATOM 846 C THR A 58 -6.185 -8.196 6.617 1.00 0.00 C ATOM 847 O THR A 58 -5.757 -7.153 7.110 1.00 0.00 O ATOM 848 CB THR A 58 -7.887 -9.524 7.987 1.00 0.00 C ATOM 849 OG1 THR A 58 -7.244 -10.740 7.612 1.00 0.00 O ATOM 850 CG2 THR A 58 -9.358 -9.914 8.143 1.00 0.00 C ATOM 0 H THR A 58 -7.726 -10.174 5.420 1.00 0.00 H new ATOM 0 HA THR A 58 -8.189 -7.665 6.979 1.00 0.00 H new ATOM 0 HB THR A 58 -7.541 -9.038 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.347 -11.399 8.330 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.470 -10.574 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.958 -9.017 8.293 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.695 -10.430 7.244 1.00 0.00 H new ATOM 858 N ALA A 59 -5.455 -9.047 5.910 1.00 0.00 N ATOM 859 CA ALA A 59 -4.045 -8.796 5.661 1.00 0.00 C ATOM 860 C ALA A 59 -3.776 -8.875 4.157 1.00 0.00 C ATOM 861 O ALA A 59 -4.676 -9.182 3.377 1.00 0.00 O ATOM 862 CB ALA A 59 -3.201 -9.792 6.458 1.00 0.00 C ATOM 0 H ALA A 59 -5.813 -9.910 5.502 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.768 -7.795 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.144 -9.604 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.408 -9.675 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.449 -10.808 6.150 1.00 0.00 H new ATOM 868 N PHE A 60 -2.533 -8.592 3.795 1.00 0.00 N ATOM 869 CA PHE A 60 -2.134 -8.627 2.398 1.00 0.00 C ATOM 870 C PHE A 60 -0.615 -8.751 2.265 1.00 0.00 C ATOM 871 O PHE A 60 0.125 -8.363 3.169 1.00 0.00 O ATOM 872 CB PHE A 60 -2.583 -7.306 1.771 1.00 0.00 C ATOM 873 CG PHE A 60 -2.259 -6.073 2.617 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.063 -5.733 3.660 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.166 -5.318 2.327 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.762 -4.589 4.445 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.865 -4.174 3.112 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.669 -3.833 4.155 1.00 0.00 C ATOM 0 H PHE A 60 -1.789 -8.338 4.445 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.587 -9.486 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.109 -7.199 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.659 -7.344 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.931 -6.333 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.527 -5.589 1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.401 -4.319 5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.003 -3.574 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.440 -2.963 4.752 1.00 0.00 H new ATOM 888 N GLU A 61 -0.194 -9.292 1.131 1.00 0.00 N ATOM 889 CA GLU A 61 1.223 -9.471 0.868 1.00 0.00 C ATOM 890 C GLU A 61 1.700 -8.464 -0.181 1.00 0.00 C ATOM 891 O GLU A 61 0.903 -7.965 -0.974 1.00 0.00 O ATOM 892 CB GLU A 61 1.522 -10.905 0.428 1.00 0.00 C ATOM 893 CG GLU A 61 1.138 -11.906 1.520 1.00 0.00 C ATOM 894 CD GLU A 61 1.854 -13.242 1.315 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.052 -13.197 0.961 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.186 -14.280 1.516 1.00 0.00 O ATOM 0 H GLU A 61 -0.810 -9.612 0.384 1.00 0.00 H new ATOM 0 HA GLU A 61 1.770 -9.288 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.973 -11.130 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.582 -11.004 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.394 -11.499 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.059 -12.062 1.512 1.00 0.00 H new ATOM 903 N TYR A 62 2.997 -8.197 -0.152 1.00 0.00 N ATOM 904 CA TYR A 62 3.590 -7.259 -1.090 1.00 0.00 C ATOM 905 C TYR A 62 5.048 -7.620 -1.380 1.00 0.00 C ATOM 906 O TYR A 62 5.835 -7.828 -0.457 1.00 0.00 O ATOM 907 CB TYR A 62 3.541 -5.891 -0.407 1.00 0.00 C ATOM 908 CG TYR A 62 4.750 -5.597 0.484 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.961 -5.260 -0.086 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.630 -5.670 1.857 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.099 -4.983 0.752 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.767 -5.393 2.695 1.00 0.00 C ATOM 913 CZ TYR A 62 6.946 -5.064 2.101 1.00 0.00 C ATOM 914 OH TYR A 62 8.020 -4.803 2.893 1.00 0.00 O ATOM 0 H TYR A 62 3.655 -8.614 0.507 1.00 0.00 H new ATOM 0 HA TYR A 62 3.051 -7.272 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.469 -5.117 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.635 -5.829 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.055 -5.204 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.683 -5.935 2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.052 -4.717 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.686 -5.445 3.771 1.00 0.00 H new ATOM 0 HH TYR A 62 7.763 -4.898 3.834 1.00 0.00 H new ATOM 924 N GLU A 63 5.365 -7.684 -2.664 1.00 0.00 N ATOM 925 CA GLU A 63 6.715 -8.016 -3.087 1.00 0.00 C ATOM 926 C GLU A 63 7.711 -6.997 -2.529 1.00 0.00 C ATOM 927 O GLU A 63 7.565 -5.796 -2.750 1.00 0.00 O ATOM 928 CB GLU A 63 6.808 -8.096 -4.612 1.00 0.00 C ATOM 929 CG GLU A 63 6.423 -9.489 -5.112 1.00 0.00 C ATOM 930 CD GLU A 63 5.413 -9.400 -6.258 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.627 -8.429 -6.248 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.450 -10.306 -7.119 1.00 0.00 O ATOM 0 H GLU A 63 4.710 -7.511 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 63 6.969 -8.999 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.151 -7.351 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.823 -7.859 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.315 -10.018 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.999 -10.069 -4.293 1.00 0.00 H new ATOM 939 N ASP A 64 8.702 -7.515 -1.818 1.00 0.00 N ATOM 940 CA ASP A 64 9.722 -6.666 -1.227 1.00 0.00 C ATOM 941 C ASP A 64 10.871 -6.489 -2.222 1.00 0.00 C ATOM 942 O ASP A 64 10.785 -6.942 -3.362 1.00 0.00 O ATOM 943 CB ASP A 64 10.292 -7.294 0.046 1.00 0.00 C ATOM 944 CG ASP A 64 10.801 -8.728 -0.112 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.957 -9.600 -0.411 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.023 -8.920 0.070 1.00 0.00 O ATOM 0 H ASP A 64 8.820 -8.512 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 64 9.263 -5.708 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.111 -6.671 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.521 -7.281 0.816 1.00 0.00 H new ATOM 951 N GLU A 65 11.920 -5.828 -1.754 1.00 0.00 N ATOM 952 CA GLU A 65 13.084 -5.585 -2.589 1.00 0.00 C ATOM 953 C GLU A 65 13.632 -6.906 -3.133 1.00 0.00 C ATOM 954 O GLU A 65 14.204 -6.943 -4.221 1.00 0.00 O ATOM 955 CB GLU A 65 14.162 -4.821 -1.817 1.00 0.00 C ATOM 956 CG GLU A 65 14.560 -5.570 -0.544 1.00 0.00 C ATOM 957 CD GLU A 65 15.072 -4.602 0.525 1.00 0.00 C ATOM 958 OE1 GLU A 65 15.932 -3.768 0.170 1.00 0.00 O ATOM 959 OE2 GLU A 65 14.591 -4.719 1.673 1.00 0.00 O ATOM 0 H GLU A 65 11.988 -5.453 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 65 12.779 -4.966 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.038 -4.682 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.794 -3.828 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.702 -6.122 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.333 -6.303 -0.776 1.00 0.00 H new ATOM 966 N ASP A 66 13.438 -7.957 -2.351 1.00 0.00 N ATOM 967 CA ASP A 66 13.905 -9.277 -2.740 1.00 0.00 C ATOM 968 C ASP A 66 12.734 -10.080 -3.311 1.00 0.00 C ATOM 969 O ASP A 66 12.806 -11.304 -3.410 1.00 0.00 O ATOM 970 CB ASP A 66 14.462 -10.041 -1.538 1.00 0.00 C ATOM 971 CG ASP A 66 15.981 -10.222 -1.533 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.579 -10.023 -2.612 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.509 -10.556 -0.451 1.00 0.00 O ATOM 0 H ASP A 66 12.963 -7.922 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 66 14.693 -9.151 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.171 -9.517 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.994 -11.025 -1.504 1.00 0.00 H new ATOM 978 N GLY A 67 11.683 -9.358 -3.671 1.00 0.00 N ATOM 979 CA GLY A 67 10.498 -9.988 -4.228 1.00 0.00 C ATOM 980 C GLY A 67 10.224 -11.334 -3.554 1.00 0.00 C ATOM 981 O GLY A 67 10.072 -12.351 -4.229 1.00 0.00 O ATOM 0 H GLY A 67 11.627 -8.343 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.638 -9.331 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.629 -10.134 -5.300 1.00 0.00 H new ATOM 985 N ASP A 68 10.169 -11.296 -2.231 1.00 0.00 N ATOM 986 CA ASP A 68 9.916 -12.500 -1.458 1.00 0.00 C ATOM 987 C ASP A 68 8.471 -12.485 -0.956 1.00 0.00 C ATOM 988 O ASP A 68 8.059 -13.371 -0.209 1.00 0.00 O ATOM 989 CB ASP A 68 10.838 -12.577 -0.240 1.00 0.00 C ATOM 990 CG ASP A 68 11.103 -13.990 0.283 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.412 -14.859 -0.561 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.991 -14.170 1.515 1.00 0.00 O ATOM 0 H ASP A 68 10.295 -10.450 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 68 10.099 -13.359 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.792 -12.116 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.403 -11.984 0.564 1.00 0.00 H new ATOM 997 N ARG A 69 7.739 -11.467 -1.387 1.00 0.00 N ATOM 998 CA ARG A 69 6.349 -11.325 -0.992 1.00 0.00 C ATOM 999 C ARG A 69 6.231 -11.298 0.534 1.00 0.00 C ATOM 1000 O ARG A 69 6.327 -12.337 1.186 1.00 0.00 O ATOM 1001 CB ARG A 69 5.499 -12.472 -1.542 1.00 0.00 C ATOM 1002 CG ARG A 69 5.397 -12.397 -3.066 1.00 0.00 C ATOM 1003 CD ARG A 69 4.151 -11.620 -3.495 1.00 0.00 C ATOM 1004 NE ARG A 69 3.836 -11.910 -4.912 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.177 -13.000 -5.328 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.757 -13.909 -4.437 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.936 -13.181 -6.633 1.00 0.00 N ATOM 0 H ARG A 69 8.084 -10.733 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 69 5.982 -10.386 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.937 -13.426 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.501 -12.432 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.287 -11.915 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.363 -13.404 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.306 -11.894 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.316 -10.551 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 69 4.140 -11.238 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.939 -13.771 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.255 -14.739 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.254 -12.489 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.434 -14.011 -6.949 1.00 0.00 H new ATOM 1021 N ILE A 70 6.025 -10.099 1.059 1.00 0.00 N ATOM 1022 CA ILE A 70 5.893 -9.923 2.495 1.00 0.00 C ATOM 1023 C ILE A 70 4.430 -10.121 2.896 1.00 0.00 C ATOM 1024 O ILE A 70 3.577 -10.369 2.046 1.00 0.00 O ATOM 1025 CB ILE A 70 6.472 -8.574 2.925 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.698 -8.210 2.084 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.781 -8.563 4.424 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.793 -9.269 2.225 1.00 0.00 C ATOM 0 H ILE A 70 5.946 -9.240 0.515 1.00 0.00 H new ATOM 0 HA ILE A 70 6.474 -10.677 3.026 1.00 0.00 H new ATOM 0 HB ILE A 70 5.719 -7.806 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.410 -8.116 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.083 -7.240 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.191 -7.593 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.865 -8.745 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.507 -9.343 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.653 -8.986 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.095 -9.343 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.412 -10.233 1.888 1.00 0.00 H new ATOM 1040 N THR A 71 4.185 -10.003 4.193 1.00 0.00 N ATOM 1041 CA THR A 71 2.839 -10.165 4.718 1.00 0.00 C ATOM 1042 C THR A 71 2.545 -9.096 5.772 1.00 0.00 C ATOM 1043 O THR A 71 3.174 -9.072 6.829 1.00 0.00 O ATOM 1044 CB THR A 71 2.708 -11.594 5.248 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.635 -12.396 4.073 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.370 -11.838 5.950 1.00 0.00 C ATOM 0 H THR A 71 4.895 -9.797 4.896 1.00 0.00 H new ATOM 0 HA THR A 71 2.090 -10.022 3.939 1.00 0.00 H new ATOM 0 HB THR A 71 3.524 -11.800 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.550 -13.339 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.329 -12.867 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.273 -11.157 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.554 -11.664 5.248 1.00 0.00 H new ATOM 1054 N VAL A 72 1.590 -8.238 5.448 1.00 0.00 N ATOM 1055 CA VAL A 72 1.205 -7.169 6.353 1.00 0.00 C ATOM 1056 C VAL A 72 0.007 -7.623 7.191 1.00 0.00 C ATOM 1057 O VAL A 72 -1.097 -7.774 6.671 1.00 0.00 O ATOM 1058 CB VAL A 72 0.931 -5.887 5.564 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.527 -4.744 6.498 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.141 -5.499 4.712 1.00 0.00 C ATOM 0 H VAL A 72 1.071 -8.261 4.570 1.00 0.00 H new ATOM 0 HA VAL A 72 2.018 -6.942 7.043 1.00 0.00 H new ATOM 0 HB VAL A 72 0.096 -6.079 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.338 -3.845 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.377 -5.020 7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.332 -4.552 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.920 -4.585 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.003 -5.334 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.363 -6.301 4.009 1.00 0.00 H new ATOM 1070 N ARG A 73 0.267 -7.827 8.474 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.776 -8.260 9.389 1.00 0.00 C ATOM 1072 C ARG A 73 -1.165 -7.118 10.330 1.00 0.00 C ATOM 1073 O ARG A 73 -2.315 -7.025 10.756 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.317 -9.462 10.218 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.547 -10.771 9.460 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.758 -11.935 10.430 1.00 0.00 C ATOM 1077 NE ARG A 73 0.517 -12.271 11.102 1.00 0.00 N ATOM 1078 CZ ARG A 73 0.615 -13.081 12.166 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -0.486 -13.641 12.685 1.00 0.00 N ATOM 1080 NH2 ARG A 73 1.814 -13.329 12.711 1.00 0.00 N ATOM 0 H ARG A 73 1.184 -7.701 8.902 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.640 -8.553 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.741 -9.359 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.859 -9.485 11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.417 -10.672 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.309 -10.979 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.511 -11.669 11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.135 -12.804 9.891 1.00 0.00 H new ATOM 0 HE ARG A 73 1.375 -11.861 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.399 -13.451 12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.412 -14.257 13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.652 -12.902 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.889 -13.945 13.520 1.00 0.00 H new ATOM 1094 N SER A 74 -0.184 -6.278 10.626 1.00 0.00 N ATOM 1095 CA SER A 74 -0.409 -5.146 11.508 1.00 0.00 C ATOM 1096 C SER A 74 0.188 -3.878 10.896 1.00 0.00 C ATOM 1097 O SER A 74 0.756 -3.919 9.806 1.00 0.00 O ATOM 1098 CB SER A 74 0.190 -5.400 12.893 1.00 0.00 C ATOM 1099 OG SER A 74 -0.763 -5.959 13.793 1.00 0.00 O ATOM 0 H SER A 74 0.769 -6.359 10.270 1.00 0.00 H new ATOM 0 HA SER A 74 -1.484 -5.013 11.625 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.041 -6.075 12.802 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.568 -4.463 13.302 1.00 0.00 H new ATOM 0 HG SER A 74 -0.341 -6.108 14.665 1.00 0.00 H new ATOM 1105 N ASP A 75 0.039 -2.781 11.623 1.00 0.00 N ATOM 1106 CA ASP A 75 0.556 -1.503 11.165 1.00 0.00 C ATOM 1107 C ASP A 75 2.078 -1.592 11.031 1.00 0.00 C ATOM 1108 O ASP A 75 2.656 -1.040 10.095 1.00 0.00 O ATOM 1109 CB ASP A 75 0.235 -0.388 12.163 1.00 0.00 C ATOM 1110 CG ASP A 75 1.052 0.893 11.987 1.00 0.00 C ATOM 1111 OD1 ASP A 75 1.675 1.026 10.911 1.00 0.00 O ATOM 1112 OD2 ASP A 75 1.036 1.711 12.932 1.00 0.00 O ATOM 0 H ASP A 75 -0.433 -2.751 12.527 1.00 0.00 H new ATOM 0 HA ASP A 75 0.089 -1.275 10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.823 -0.140 12.080 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.395 -0.767 13.172 1.00 0.00 H new ATOM 1117 N GLU A 76 2.684 -2.292 11.979 1.00 0.00 N ATOM 1118 CA GLU A 76 4.127 -2.461 11.978 1.00 0.00 C ATOM 1119 C GLU A 76 4.613 -2.862 10.584 1.00 0.00 C ATOM 1120 O GLU A 76 5.457 -2.186 9.998 1.00 0.00 O ATOM 1121 CB GLU A 76 4.559 -3.488 13.026 1.00 0.00 C ATOM 1122 CG GLU A 76 4.940 -2.803 14.340 1.00 0.00 C ATOM 1123 CD GLU A 76 6.144 -3.491 14.988 1.00 0.00 C ATOM 1124 OE1 GLU A 76 7.274 -3.197 14.541 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.907 -4.294 15.915 1.00 0.00 O ATOM 0 H GLU A 76 2.202 -2.749 12.753 1.00 0.00 H new ATOM 0 HA GLU A 76 4.586 -1.508 12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.749 -4.196 13.202 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.407 -4.061 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.173 -1.755 14.154 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.092 -2.825 15.025 1.00 0.00 H new ATOM 1132 N GLU A 77 4.060 -3.961 10.092 1.00 0.00 N ATOM 1133 CA GLU A 77 4.427 -4.461 8.778 1.00 0.00 C ATOM 1134 C GLU A 77 4.130 -3.408 7.708 1.00 0.00 C ATOM 1135 O GLU A 77 4.914 -3.223 6.779 1.00 0.00 O ATOM 1136 CB GLU A 77 3.706 -5.775 8.470 1.00 0.00 C ATOM 1137 CG GLU A 77 4.369 -6.947 9.196 1.00 0.00 C ATOM 1138 CD GLU A 77 3.322 -7.846 9.856 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.795 -7.424 10.908 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.073 -8.934 9.295 1.00 0.00 O ATOM 0 H GLU A 77 3.360 -4.520 10.580 1.00 0.00 H new ATOM 0 HA GLU A 77 5.498 -4.663 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.661 -5.700 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.716 -5.956 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.960 -7.529 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.057 -6.569 9.952 1.00 0.00 H new ATOM 1147 N MET A 78 2.994 -2.746 7.875 1.00 0.00 N ATOM 1148 CA MET A 78 2.583 -1.717 6.935 1.00 0.00 C ATOM 1149 C MET A 78 3.686 -0.672 6.749 1.00 0.00 C ATOM 1150 O MET A 78 4.231 -0.527 5.656 1.00 0.00 O ATOM 1151 CB MET A 78 1.314 -1.034 7.447 1.00 0.00 C ATOM 1152 CG MET A 78 0.140 -1.273 6.495 1.00 0.00 C ATOM 1153 SD MET A 78 0.044 0.050 5.301 1.00 0.00 S ATOM 1154 CE MET A 78 -0.728 1.313 6.299 1.00 0.00 C ATOM 0 H MET A 78 2.346 -2.902 8.647 1.00 0.00 H new ATOM 0 HA MET A 78 2.389 -2.189 5.972 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.066 -1.415 8.438 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.490 0.037 7.552 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.264 -2.227 5.983 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.790 -1.333 7.060 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.748 1.478 5.952 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.746 0.993 7.341 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.162 2.240 6.214 1.00 0.00 H new ATOM 1164 N LYS A 79 3.982 0.028 7.834 1.00 0.00 N ATOM 1165 CA LYS A 79 5.009 1.055 7.804 1.00 0.00 C ATOM 1166 C LYS A 79 6.236 0.522 7.061 1.00 0.00 C ATOM 1167 O LYS A 79 6.853 1.242 6.278 1.00 0.00 O ATOM 1168 CB LYS A 79 5.315 1.548 9.220 1.00 0.00 C ATOM 1169 CG LYS A 79 4.960 3.029 9.373 1.00 0.00 C ATOM 1170 CD LYS A 79 5.794 3.681 10.478 1.00 0.00 C ATOM 1171 CE LYS A 79 4.966 3.874 11.749 1.00 0.00 C ATOM 1172 NZ LYS A 79 5.420 5.074 12.487 1.00 0.00 N ATOM 0 H LYS A 79 3.529 -0.096 8.739 1.00 0.00 H new ATOM 0 HA LYS A 79 4.658 1.929 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.752 0.959 9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.372 1.399 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.131 3.547 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.900 3.131 9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.663 3.060 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.169 4.645 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.912 3.976 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.055 2.993 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.847 5.190 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.420 4.962 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.312 5.914 11.883 1.00 0.00 H new ATOM 1186 N ALA A 80 6.553 -0.736 7.333 1.00 0.00 N ATOM 1187 CA ALA A 80 7.694 -1.373 6.699 1.00 0.00 C ATOM 1188 C ALA A 80 7.476 -1.412 5.186 1.00 0.00 C ATOM 1189 O ALA A 80 8.306 -0.919 4.423 1.00 0.00 O ATOM 1190 CB ALA A 80 7.895 -2.768 7.295 1.00 0.00 C ATOM 0 H ALA A 80 6.039 -1.330 7.984 1.00 0.00 H new ATOM 0 HA ALA A 80 8.604 -0.803 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.751 -3.247 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.075 -2.683 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.002 -3.369 7.124 1.00 0.00 H new ATOM 1196 N MET A 81 6.356 -2.003 4.796 1.00 0.00 N ATOM 1197 CA MET A 81 6.019 -2.112 3.387 1.00 0.00 C ATOM 1198 C MET A 81 6.139 -0.757 2.687 1.00 0.00 C ATOM 1199 O MET A 81 6.628 -0.676 1.562 1.00 0.00 O ATOM 1200 CB MET A 81 4.588 -2.636 3.243 1.00 0.00 C ATOM 1201 CG MET A 81 4.149 -2.636 1.778 1.00 0.00 C ATOM 1202 SD MET A 81 2.447 -3.159 1.651 1.00 0.00 S ATOM 1203 CE MET A 81 1.623 -1.666 2.177 1.00 0.00 C ATOM 0 H MET A 81 5.670 -2.411 5.431 1.00 0.00 H new ATOM 0 HA MET A 81 6.718 -2.805 2.919 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.525 -3.647 3.645 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.909 -2.017 3.830 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.264 -1.638 1.355 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.787 -3.303 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.170 -1.826 3.155 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.347 -0.854 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.848 -1.405 1.456 1.00 0.00 H new ATOM 1213 N LEU A 82 5.684 0.275 3.384 1.00 0.00 N ATOM 1214 CA LEU A 82 5.735 1.623 2.843 1.00 0.00 C ATOM 1215 C LEU A 82 7.173 2.141 2.912 1.00 0.00 C ATOM 1216 O LEU A 82 7.660 2.757 1.965 1.00 0.00 O ATOM 1217 CB LEU A 82 4.722 2.523 3.554 1.00 0.00 C ATOM 1218 CG LEU A 82 3.250 2.262 3.229 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.372 2.460 4.467 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.786 3.125 2.054 1.00 0.00 C ATOM 0 H LEU A 82 5.279 0.205 4.317 1.00 0.00 H new ATOM 0 HA LEU A 82 5.446 1.624 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.861 2.414 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.950 3.560 3.306 1.00 0.00 H new ATOM 0 HG LEU A 82 3.147 1.221 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.330 2.268 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.685 1.769 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.474 3.484 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.736 2.920 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.906 4.179 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.384 2.892 1.173 1.00 0.00 H new ATOM 1232 N SER A 83 7.811 1.874 4.041 1.00 0.00 N ATOM 1233 CA SER A 83 9.183 2.306 4.245 1.00 0.00 C ATOM 1234 C SER A 83 10.069 1.791 3.109 1.00 0.00 C ATOM 1235 O SER A 83 11.079 2.409 2.776 1.00 0.00 O ATOM 1236 CB SER A 83 9.718 1.822 5.595 1.00 0.00 C ATOM 1237 OG SER A 83 11.122 2.035 5.720 1.00 0.00 O ATOM 0 H SER A 83 7.403 1.364 4.825 1.00 0.00 H new ATOM 0 HA SER A 83 9.201 3.396 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.199 2.344 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.500 0.760 5.712 1.00 0.00 H new ATOM 0 HG SER A 83 11.425 1.715 6.595 1.00 0.00 H new ATOM 1243 N TYR A 84 9.657 0.666 2.544 1.00 0.00 N ATOM 1244 CA TYR A 84 10.400 0.062 1.451 1.00 0.00 C ATOM 1245 C TYR A 84 10.004 0.681 0.109 1.00 0.00 C ATOM 1246 O TYR A 84 10.823 1.319 -0.550 1.00 0.00 O ATOM 1247 CB TYR A 84 10.016 -1.419 1.448 1.00 0.00 C ATOM 1248 CG TYR A 84 9.928 -2.037 0.051 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.038 -2.050 -0.768 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.738 -2.581 -0.389 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.955 -2.632 -2.083 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.655 -3.162 -1.704 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.767 -3.158 -2.486 1.00 0.00 C ATOM 1254 OH TYR A 84 9.689 -3.707 -3.728 1.00 0.00 O ATOM 0 H TYR A 84 8.818 0.157 2.822 1.00 0.00 H new ATOM 0 HA TYR A 84 11.471 0.217 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.748 -1.975 2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.054 -1.535 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.969 -1.624 -0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.869 -2.571 0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.816 -2.650 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.730 -3.591 -2.061 1.00 0.00 H new ATOM 0 HH TYR A 84 9.035 -4.437 -3.722 1.00 0.00 H new ATOM 1264 N TYR A 85 8.747 0.472 -0.254 1.00 0.00 N ATOM 1265 CA TYR A 85 8.232 1.002 -1.505 1.00 0.00 C ATOM 1266 C TYR A 85 8.825 2.381 -1.802 1.00 0.00 C ATOM 1267 O TYR A 85 9.277 2.640 -2.916 1.00 0.00 O ATOM 1268 CB TYR A 85 6.720 1.141 -1.314 1.00 0.00 C ATOM 1269 CG TYR A 85 5.969 1.563 -2.578 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.854 0.686 -3.638 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.408 2.821 -2.659 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.147 1.083 -4.828 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.701 3.218 -3.849 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.605 2.330 -4.875 1.00 0.00 C ATOM 1275 OH TYR A 85 3.938 2.705 -5.999 1.00 0.00 O ATOM 0 H TYR A 85 8.070 -0.057 0.296 1.00 0.00 H new ATOM 0 HA TYR A 85 8.490 0.344 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.319 0.189 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.529 1.873 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.294 -0.298 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.499 3.508 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.049 0.406 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.257 4.199 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 85 4.529 2.614 -6.776 1.00 0.00 H new ATOM 1285 N TYR A 86 8.804 3.230 -0.785 1.00 0.00 N ATOM 1286 CA TYR A 86 9.334 4.576 -0.923 1.00 0.00 C ATOM 1287 C TYR A 86 10.862 4.559 -0.990 1.00 0.00 C ATOM 1288 O TYR A 86 11.457 5.214 -1.845 1.00 0.00 O ATOM 1289 CB TYR A 86 8.899 5.331 0.335 1.00 0.00 C ATOM 1290 CG TYR A 86 7.383 5.450 0.497 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.573 5.516 -0.619 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.824 5.491 1.758 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.145 5.628 -0.467 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.396 5.603 1.910 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.628 5.666 0.790 1.00 0.00 C ATOM 1296 OH TYR A 86 3.279 5.772 0.933 1.00 0.00 O ATOM 0 H TYR A 86 8.428 3.012 0.138 1.00 0.00 H new ATOM 0 HA TYR A 86 8.967 5.041 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.309 4.825 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.331 6.331 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.010 5.484 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.457 5.439 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.500 5.681 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.946 5.636 2.891 1.00 0.00 H new ATOM 0 HH TYR A 86 2.836 5.403 0.140 1.00 0.00 H new ATOM 1306 N SER A 87 11.455 3.804 -0.077 1.00 0.00 N ATOM 1307 CA SER A 87 12.903 3.693 -0.023 1.00 0.00 C ATOM 1308 C SER A 87 13.447 3.267 -1.388 1.00 0.00 C ATOM 1309 O SER A 87 14.568 3.620 -1.751 1.00 0.00 O ATOM 1310 CB SER A 87 13.339 2.700 1.056 1.00 0.00 C ATOM 1311 OG SER A 87 14.734 2.417 0.989 1.00 0.00 O ATOM 0 H SER A 87 10.959 3.263 0.631 1.00 0.00 H new ATOM 0 HA SER A 87 13.312 4.670 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.098 3.104 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.775 1.774 0.945 1.00 0.00 H new ATOM 0 HG SER A 87 14.973 1.781 1.695 1.00 0.00 H new ATOM 1317 N THR A 88 12.627 2.515 -2.107 1.00 0.00 N ATOM 1318 CA THR A 88 13.013 2.037 -3.424 1.00 0.00 C ATOM 1319 C THR A 88 12.464 2.965 -4.510 1.00 0.00 C ATOM 1320 O THR A 88 13.195 3.369 -5.413 1.00 0.00 O ATOM 1321 CB THR A 88 12.532 0.591 -3.562 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.545 -0.039 -4.340 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.273 0.472 -4.423 1.00 0.00 C ATOM 0 H THR A 88 11.698 2.225 -1.803 1.00 0.00 H new ATOM 0 HA THR A 88 14.096 2.048 -3.547 1.00 0.00 H new ATOM 0 HB THR A 88 12.335 0.178 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.314 -0.982 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.974 -0.574 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.468 1.052 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.479 0.854 -5.423 1.00 0.00 H new ATOM 1331 N VAL A 89 11.183 3.277 -4.385 1.00 0.00 N ATOM 1332 CA VAL A 89 10.528 4.150 -5.345 1.00 0.00 C ATOM 1333 C VAL A 89 11.402 5.382 -5.585 1.00 0.00 C ATOM 1334 O VAL A 89 11.608 5.789 -6.728 1.00 0.00 O ATOM 1335 CB VAL A 89 9.121 4.501 -4.858 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.632 5.806 -5.488 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.143 3.357 -5.137 1.00 0.00 C ATOM 0 H VAL A 89 10.581 2.941 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 89 10.409 3.644 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 89 9.167 4.647 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.629 6.032 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.308 6.617 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.610 5.700 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.150 3.632 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.104 3.165 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.478 2.458 -4.620 1.00 0.00 H new ATOM 1347 N MET A 90 11.893 5.943 -4.489 1.00 0.00 N ATOM 1348 CA MET A 90 12.740 7.121 -4.566 1.00 0.00 C ATOM 1349 C MET A 90 14.001 6.837 -5.386 1.00 0.00 C ATOM 1350 O MET A 90 14.545 7.736 -6.025 1.00 0.00 O ATOM 1351 CB MET A 90 13.136 7.559 -3.155 1.00 0.00 C ATOM 1352 CG MET A 90 14.306 6.724 -2.630 1.00 0.00 C ATOM 1353 SD MET A 90 15.853 7.497 -3.071 1.00 0.00 S ATOM 1354 CE MET A 90 15.967 8.723 -1.778 1.00 0.00 C ATOM 0 H MET A 90 11.720 5.603 -3.543 1.00 0.00 H new ATOM 0 HA MET A 90 12.180 7.916 -5.059 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.411 8.614 -3.162 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.282 7.457 -2.485 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.235 6.624 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.261 5.718 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.945 9.204 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.188 9.473 -1.918 1.00 0.00 H new ATOM 0 HE3 MET A 90 15.838 8.242 -0.808 1.00 0.00 H new ATOM 1364 N GLU A 91 14.428 5.584 -5.339 1.00 0.00 N ATOM 1365 CA GLU A 91 15.614 5.170 -6.069 1.00 0.00 C ATOM 1366 C GLU A 91 15.297 5.023 -7.558 1.00 0.00 C ATOM 1367 O GLU A 91 16.186 5.138 -8.401 1.00 0.00 O ATOM 1368 CB GLU A 91 16.184 3.870 -5.498 1.00 0.00 C ATOM 1369 CG GLU A 91 17.022 4.141 -4.247 1.00 0.00 C ATOM 1370 CD GLU A 91 17.460 2.832 -3.586 1.00 0.00 C ATOM 1371 OE1 GLU A 91 16.571 1.981 -3.369 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.674 2.713 -3.314 1.00 0.00 O ATOM 0 H GLU A 91 13.974 4.842 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 91 16.375 5.942 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.369 3.188 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.798 3.376 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.900 4.729 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.443 4.734 -3.539 1.00 0.00 H new ATOM 1379 N GLN A 92 14.027 4.769 -7.838 1.00 0.00 N ATOM 1380 CA GLN A 92 13.581 4.605 -9.211 1.00 0.00 C ATOM 1381 C GLN A 92 13.554 5.957 -9.926 1.00 0.00 C ATOM 1382 O GLN A 92 13.687 6.020 -11.147 1.00 0.00 O ATOM 1383 CB GLN A 92 12.209 3.928 -9.265 1.00 0.00 C ATOM 1384 CG GLN A 92 12.327 2.428 -8.987 1.00 0.00 C ATOM 1385 CD GLN A 92 11.544 1.617 -10.021 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.031 1.292 -11.092 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.307 1.308 -9.643 1.00 0.00 N ATOM 0 H GLN A 92 13.292 4.673 -7.137 1.00 0.00 H new ATOM 0 HA GLN A 92 14.290 3.958 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.544 4.386 -8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.760 4.086 -10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.376 2.132 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.952 2.209 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.961 1.611 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.704 0.768 -10.263 1.00 0.00 H new ATOM 1396 N GLN A 93 13.381 7.005 -9.134 1.00 0.00 N ATOM 1397 CA GLN A 93 13.334 8.353 -9.677 1.00 0.00 C ATOM 1398 C GLN A 93 14.750 8.916 -9.819 1.00 0.00 C ATOM 1399 O GLN A 93 15.076 9.537 -10.830 1.00 0.00 O ATOM 1400 CB GLN A 93 12.466 9.264 -8.807 1.00 0.00 C ATOM 1401 CG GLN A 93 11.060 8.684 -8.638 1.00 0.00 C ATOM 1402 CD GLN A 93 10.001 9.785 -8.706 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.101 10.733 -9.469 1.00 0.00 O ATOM 1404 NE2 GLN A 93 8.983 9.609 -7.868 1.00 0.00 N ATOM 0 H GLN A 93 13.272 6.949 -8.121 1.00 0.00 H new ATOM 0 HA GLN A 93 12.879 8.311 -10.667 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.931 9.390 -7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.403 10.253 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.872 7.945 -9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.989 8.165 -7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.961 8.793 -7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.224 10.290 -7.837 1.00 0.00 H new ATOM 1413 N VAL A 94 15.552 8.681 -8.791 1.00 0.00 N ATOM 1414 CA VAL A 94 16.925 9.158 -8.789 1.00 0.00 C ATOM 1415 C VAL A 94 17.724 8.403 -9.853 1.00 0.00 C ATOM 1416 O VAL A 94 18.680 8.938 -10.412 1.00 0.00 O ATOM 1417 CB VAL A 94 17.523 9.025 -7.387 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.571 9.589 -6.330 1.00 0.00 C ATOM 1419 CG2 VAL A 94 17.883 7.570 -7.080 1.00 0.00 C ATOM 0 H VAL A 94 15.278 8.167 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 94 16.962 10.217 -9.045 1.00 0.00 H new ATOM 0 HB VAL A 94 18.442 9.610 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.020 9.482 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.386 10.644 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.628 9.043 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.306 7.504 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 94 16.986 6.953 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.614 7.215 -7.806 1.00 0.00 H new ATOM 1429 N ASN A 95 17.302 7.172 -10.102 1.00 0.00 N ATOM 1430 CA ASN A 95 17.967 6.338 -11.089 1.00 0.00 C ATOM 1431 C ASN A 95 17.622 6.843 -12.492 1.00 0.00 C ATOM 1432 O ASN A 95 18.513 7.136 -13.287 1.00 0.00 O ATOM 1433 CB ASN A 95 17.504 4.884 -10.983 1.00 0.00 C ATOM 1434 CG ASN A 95 18.415 4.085 -10.048 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.692 4.705 -8.905 1.00 0.00 O flip ATOM 1436 ND2 ASN A 95 18.838 2.980 -10.346 1.00 0.00 N flip ATOM 0 H ASN A 95 16.508 6.732 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 95 19.040 6.389 -10.906 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.479 4.851 -10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.501 4.426 -11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 95 18.586 2.562 -11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 95 19.444 2.475 -9.700 1.00 0.00 H new ATOM 1443 N GLY A 96 16.325 6.930 -12.752 1.00 0.00 N ATOM 1444 CA GLY A 96 15.851 7.394 -14.045 1.00 0.00 C ATOM 1445 C GLY A 96 14.862 6.400 -14.656 1.00 0.00 C ATOM 1446 O GLY A 96 14.892 6.149 -15.860 1.00 0.00 O ATOM 0 H GLY A 96 15.588 6.687 -12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.372 8.367 -13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.697 7.531 -14.718 1.00 0.00 H new ATOM 1450 N GLN A 97 14.008 5.861 -13.798 1.00 0.00 N ATOM 1451 CA GLN A 97 13.011 4.900 -14.238 1.00 0.00 C ATOM 1452 C GLN A 97 11.644 5.243 -13.642 1.00 0.00 C ATOM 1453 O GLN A 97 11.561 5.929 -12.625 1.00 0.00 O ATOM 1454 CB GLN A 97 13.426 3.474 -13.873 1.00 0.00 C ATOM 1455 CG GLN A 97 14.572 2.991 -14.765 1.00 0.00 C ATOM 1456 CD GLN A 97 14.396 1.516 -15.133 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.048 0.682 -14.313 1.00 0.00 O ATOM 1458 NE2 GLN A 97 14.656 1.242 -16.408 1.00 0.00 N ATOM 0 H GLN A 97 13.986 6.072 -12.800 1.00 0.00 H new ATOM 0 HA GLN A 97 12.936 4.955 -15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.734 3.437 -12.828 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.572 2.805 -13.978 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.610 3.594 -15.672 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.522 3.130 -14.250 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.943 1.988 -17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.568 0.286 -16.752 1.00 0.00 H new ATOM 1467 N LEU A 98 10.606 4.748 -14.301 1.00 0.00 N ATOM 1468 CA LEU A 98 9.247 4.993 -13.849 1.00 0.00 C ATOM 1469 C LEU A 98 9.023 4.284 -12.513 1.00 0.00 C ATOM 1470 O LEU A 98 9.789 3.396 -12.141 1.00 0.00 O ATOM 1471 CB LEU A 98 8.243 4.596 -14.933 1.00 0.00 C ATOM 1472 CG LEU A 98 8.677 3.465 -15.867 1.00 0.00 C ATOM 1473 CD1 LEU A 98 9.287 2.305 -15.078 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.514 3.008 -16.751 1.00 0.00 C ATOM 0 H LEU A 98 10.679 4.179 -15.144 1.00 0.00 H new ATOM 0 HA LEU A 98 9.089 6.057 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.312 4.303 -14.448 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.024 5.476 -15.538 1.00 0.00 H new ATOM 0 HG LEU A 98 9.454 3.848 -16.529 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.587 1.515 -15.766 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.160 2.658 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.550 1.915 -14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.849 2.203 -17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.699 2.649 -16.123 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.165 3.846 -17.355 1.00 0.00 H new ATOM 1486 N ILE A 99 7.970 4.702 -11.826 1.00 0.00 N ATOM 1487 CA ILE A 99 7.635 4.118 -10.539 1.00 0.00 C ATOM 1488 C ILE A 99 6.590 3.019 -10.739 1.00 0.00 C ATOM 1489 O ILE A 99 5.744 3.116 -11.626 1.00 0.00 O ATOM 1490 CB ILE A 99 7.203 5.205 -9.553 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.184 6.380 -9.568 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.021 4.630 -8.147 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.551 5.960 -9.026 1.00 0.00 C ATOM 0 H ILE A 99 7.337 5.439 -12.137 1.00 0.00 H new ATOM 0 HA ILE A 99 8.512 3.648 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 99 6.234 5.589 -9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.292 6.755 -10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.786 7.198 -8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.714 5.424 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.256 3.854 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.963 4.202 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.229 6.813 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.443 5.608 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.957 5.159 -9.644 1.00 0.00 H new ATOM 1505 N GLU A 100 6.683 1.999 -9.898 1.00 0.00 N ATOM 1506 CA GLU A 100 5.755 0.882 -9.972 1.00 0.00 C ATOM 1507 C GLU A 100 4.751 0.950 -8.819 1.00 0.00 C ATOM 1508 O GLU A 100 5.062 1.472 -7.750 1.00 0.00 O ATOM 1509 CB GLU A 100 6.503 -0.453 -9.970 1.00 0.00 C ATOM 1510 CG GLU A 100 7.382 -0.591 -11.214 1.00 0.00 C ATOM 1511 CD GLU A 100 6.559 -1.053 -12.419 1.00 0.00 C ATOM 1512 OE1 GLU A 100 6.434 -2.286 -12.580 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.074 -0.163 -13.150 1.00 0.00 O ATOM 0 H GLU A 100 7.386 1.922 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 100 5.206 0.952 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.120 -0.527 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.788 -1.275 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.855 0.365 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.183 -1.305 -11.021 1.00 0.00 H new ATOM 1520 N PRO A 101 3.536 0.399 -9.083 1.00 0.00 N ATOM 1521 CA PRO A 101 2.484 0.392 -8.081 1.00 0.00 C ATOM 1522 C PRO A 101 2.763 -0.655 -7.001 1.00 0.00 C ATOM 1523 O PRO A 101 3.248 -1.745 -7.300 1.00 0.00 O ATOM 1524 CB PRO A 101 1.204 0.122 -8.855 1.00 0.00 C ATOM 1525 CG PRO A 101 1.640 -0.472 -10.185 1.00 0.00 C ATOM 1526 CD PRO A 101 3.132 -0.228 -10.338 1.00 0.00 C ATOM 0 HA PRO A 101 2.413 1.335 -7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.557 -0.567 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.637 1.041 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.423 -1.540 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.092 -0.011 -11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.671 -1.161 -10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.342 0.419 -11.190 1.00 0.00 H new ATOM 1534 N LEU A 102 2.443 -0.288 -5.769 1.00 0.00 N ATOM 1535 CA LEU A 102 2.653 -1.182 -4.643 1.00 0.00 C ATOM 1536 C LEU A 102 1.814 -2.447 -4.839 1.00 0.00 C ATOM 1537 O LEU A 102 0.726 -2.567 -4.278 1.00 0.00 O ATOM 1538 CB LEU A 102 2.376 -0.458 -3.324 1.00 0.00 C ATOM 1539 CG LEU A 102 2.647 -1.259 -2.049 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.000 -1.968 -2.125 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.533 -0.371 -0.809 1.00 0.00 C ATOM 0 H LEU A 102 2.040 0.617 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 102 3.696 -1.495 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.981 0.448 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.332 -0.144 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 102 1.883 -2.032 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.168 -2.530 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.006 -2.651 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.792 -1.229 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.730 -0.965 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.259 0.439 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.528 0.047 -0.752 1.00 0.00 H new ATOM 1553 N GLN A 103 2.352 -3.358 -5.637 1.00 0.00 N ATOM 1554 CA GLN A 103 1.666 -4.608 -5.914 1.00 0.00 C ATOM 1555 C GLN A 103 1.388 -5.361 -4.611 1.00 0.00 C ATOM 1556 O GLN A 103 2.301 -5.919 -4.004 1.00 0.00 O ATOM 1557 CB GLN A 103 2.474 -5.473 -6.884 1.00 0.00 C ATOM 1558 CG GLN A 103 1.690 -6.724 -7.286 1.00 0.00 C ATOM 1559 CD GLN A 103 2.524 -7.624 -8.199 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.637 -7.303 -8.582 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.927 -8.767 -8.526 1.00 0.00 N ATOM 0 H GLN A 103 3.255 -3.255 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 103 0.712 -4.379 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.722 -4.894 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.416 -5.764 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.398 -7.277 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.772 -6.434 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.994 -8.975 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.403 -9.436 -9.132 1.00 0.00 H new ATOM 1570 N ILE A 104 0.122 -5.351 -4.218 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.288 -6.026 -2.998 1.00 0.00 C ATOM 1572 C ILE A 104 -1.316 -7.106 -3.339 1.00 0.00 C ATOM 1573 O ILE A 104 -1.968 -7.042 -4.380 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.782 -5.011 -1.965 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.950 -4.191 -2.518 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.363 -4.121 -1.479 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.818 -3.640 -1.385 1.00 0.00 C ATOM 0 H ILE A 104 -0.633 -4.886 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 104 0.562 -6.529 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.154 -5.559 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.568 -3.368 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.557 -4.813 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.016 -3.409 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.134 -4.739 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.787 -3.580 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.641 -3.061 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.219 -4.467 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.214 -2.999 -0.743 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.427 -8.076 -2.442 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.364 -9.169 -2.635 1.00 0.00 C ATOM 1591 C PHE A 105 -3.292 -9.316 -1.427 1.00 0.00 C ATOM 1592 O PHE A 105 -2.828 -9.450 -0.296 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.536 -10.447 -2.785 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.504 -10.391 -3.913 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.650 -9.691 -3.745 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.741 -11.041 -5.084 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.607 -9.639 -4.792 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.217 -10.988 -6.131 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.371 -10.288 -5.963 1.00 0.00 C ATOM 0 H PHE A 105 -0.883 -8.127 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.982 -8.979 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.021 -10.647 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.210 -11.285 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.838 -9.175 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.657 -11.597 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.523 -9.083 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.029 -11.504 -7.061 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.099 -10.248 -6.759 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.621 -9.284 -1.716 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.618 -9.411 -0.666 1.00 0.00 C ATOM 1611 C PRO A 106 -5.722 -10.859 -0.183 1.00 0.00 C ATOM 1612 O PRO A 106 -6.041 -11.756 -0.961 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.907 -8.897 -1.285 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.693 -8.936 -2.789 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.207 -9.126 -3.043 1.00 0.00 C ATOM 0 HA PRO A 106 -5.365 -8.840 0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.754 -9.519 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.125 -7.884 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.264 -9.751 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.044 -8.012 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.020 -10.002 -3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.782 -8.268 -3.564 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.448 -11.042 1.101 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.507 -12.365 1.698 1.00 0.00 C ATOM 1625 C ARG A 107 -6.863 -12.583 2.372 1.00 0.00 C ATOM 1626 O ARG A 107 -7.097 -12.092 3.476 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.395 -12.553 2.731 1.00 0.00 C ATOM 1628 CG ARG A 107 -3.128 -13.110 2.078 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.271 -13.863 3.098 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.077 -15.263 2.660 1.00 0.00 N ATOM 1631 CZ ARG A 107 -1.287 -16.144 3.288 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.611 -15.775 4.385 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.171 -17.394 2.819 1.00 0.00 N ATOM 0 H ARG A 107 -5.185 -10.295 1.744 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.373 -13.095 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.173 -11.599 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.733 -13.231 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.399 -13.779 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.550 -12.295 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.305 -13.370 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.752 -13.842 4.076 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.576 -15.577 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.698 -14.823 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.010 -16.446 4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.684 -17.675 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.569 -18.064 3.297 1.00 0.00 H new ATOM 1647 N SER A 108 -7.721 -13.319 1.681 1.00 0.00 N ATOM 1648 CA SER A 108 -9.047 -13.608 2.199 1.00 0.00 C ATOM 1649 C SER A 108 -8.950 -14.596 3.363 1.00 0.00 C ATOM 1650 O SER A 108 -8.058 -15.442 3.390 1.00 0.00 O ATOM 1651 CB SER A 108 -9.957 -14.166 1.103 1.00 0.00 C ATOM 1652 OG SER A 108 -9.444 -15.373 0.546 1.00 0.00 O ATOM 0 H SER A 108 -7.523 -13.724 0.766 1.00 0.00 H new ATOM 0 HA SER A 108 -9.485 -12.676 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.949 -14.350 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.072 -13.423 0.314 1.00 0.00 H new ATOM 0 HG SER A 108 -10.054 -15.698 -0.148 1.00 0.00 H new ATOM 1658 N GLY A 109 -9.881 -14.456 4.295 1.00 0.00 N ATOM 1659 CA GLY A 109 -9.912 -15.327 5.458 1.00 0.00 C ATOM 1660 C GLY A 109 -11.241 -15.197 6.205 1.00 0.00 C ATOM 1661 O GLY A 109 -11.989 -14.245 5.988 1.00 0.00 O ATOM 0 H GLY A 109 -10.619 -13.753 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.766 -16.361 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.089 -15.076 6.127 1.00 0.00 H new ATOM 1665 N PRO A 110 -11.501 -16.194 7.093 1.00 0.00 N ATOM 1666 CA PRO A 110 -12.727 -16.200 7.873 1.00 0.00 C ATOM 1667 C PRO A 110 -12.666 -15.167 8.999 1.00 0.00 C ATOM 1668 O PRO A 110 -13.559 -14.332 9.129 1.00 0.00 O ATOM 1669 CB PRO A 110 -12.861 -17.626 8.382 1.00 0.00 C ATOM 1670 CG PRO A 110 -11.478 -18.245 8.260 1.00 0.00 C ATOM 1671 CD PRO A 110 -10.638 -17.337 7.377 1.00 0.00 C ATOM 0 HA PRO A 110 -13.601 -15.916 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.205 -17.641 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.591 -18.183 7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.020 -18.352 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.543 -19.244 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.724 -17.027 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.338 -17.844 6.460 1.00 0.00 H new ATOM 1679 N SER A 111 -11.602 -15.256 9.784 1.00 0.00 N ATOM 1680 CA SER A 111 -11.413 -14.339 10.895 1.00 0.00 C ATOM 1681 C SER A 111 -9.988 -14.463 11.439 1.00 0.00 C ATOM 1682 O SER A 111 -9.415 -15.551 11.446 1.00 0.00 O ATOM 1683 CB SER A 111 -12.430 -14.602 12.007 1.00 0.00 C ATOM 1684 OG SER A 111 -12.376 -15.948 12.472 1.00 0.00 O ATOM 0 H SER A 111 -10.862 -15.949 9.672 1.00 0.00 H new ATOM 0 HA SER A 111 -11.569 -13.324 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.241 -13.923 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.433 -14.385 11.640 1.00 0.00 H new ATOM 0 HG SER A 111 -13.039 -16.076 13.182 1.00 0.00 H new ATOM 1690 N SER A 112 -9.457 -13.332 11.881 1.00 0.00 N ATOM 1691 CA SER A 112 -8.110 -13.300 12.425 1.00 0.00 C ATOM 1692 C SER A 112 -8.136 -13.675 13.908 1.00 0.00 C ATOM 1693 O SER A 112 -8.882 -13.085 14.688 1.00 0.00 O ATOM 1694 CB SER A 112 -7.472 -11.923 12.237 1.00 0.00 C ATOM 1695 OG SER A 112 -6.230 -12.000 11.544 1.00 0.00 O ATOM 0 H SER A 112 -9.935 -12.431 11.873 1.00 0.00 H new ATOM 0 HA SER A 112 -7.505 -14.027 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.156 -11.279 11.684 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.315 -11.460 13.211 1.00 0.00 H new ATOM 0 HG SER A 112 -5.856 -11.100 11.443 1.00 0.00 H new ATOM 1701 N GLY A 113 -7.313 -14.654 14.253 1.00 0.00 N ATOM 1702 CA GLY A 113 -7.232 -15.115 15.628 1.00 0.00 C ATOM 1703 C GLY A 113 -6.242 -16.274 15.761 1.00 0.00 C ATOM 1704 O GLY A 113 -5.435 -16.303 16.689 1.00 0.00 O ATOM 0 H GLY A 113 -6.696 -15.141 13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -6.923 -14.293 16.273 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.218 -15.433 15.967 1.00 0.00 H new TER 1708 GLY A 113