USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 726 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 46 SER OG : rot -112:sc= -1.14! USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= -1.13 USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= -4.51! C(o=-11!,f=-6!) USER MOD Set 2.2: A 89 SER OG : rot 20:sc= -1.5! USER MOD Set 3.1: A 41 THR OG1 : rot 34:sc= 1.15 USER MOD Set 3.2: A 61 SER OG : rot 180:sc= -0.285 USER MOD Set 3.3: A 66 THR OG1 : rot -74:sc= -0.039 USER MOD Set 4.1: A 29 ASN :FLIP amide:sc= -4.96! C(o=-7.6!,f=-4.8!) USER MOD Set 4.2: A 31 SER OG : rot 171:sc= 0.185 USER MOD Set 5.1: A 24 ASN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Set 5.2: A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 87 ASN :FLIP amide:sc= -2.23 F(o=-5.9!,f=-2.2) USER MOD Single : A 1 ALA N :NH3+ -165:sc= -0.0206 (180deg=-0.277) 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 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.9!) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.52! C(o=-7.4!,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= -1.32! C(o=-1.3!,f=-1.1!) USER MOD Single : A 19 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 26 THR OG1 : rot -140:sc= -1.15 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.344 USER MOD Single : A 32 SER OG : rot 180:sc= -1.3! USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 43 SER OG : rot -29:sc= -0.387! USER MOD Single : A 48 GLN : amide:sc= -7.51! C(o=-7.5!,f=-12!) USER MOD Single : A 51 THR OG1 : rot -81:sc= 0.603! USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 55 SER OG : rot -69:sc= -1.02 USER MOD Single : A 56 SER OG : rot 177:sc= -3.9! USER MOD Single : A 57 THR OG1 : rot 96:sc= 0.404 USER MOD Single : A 59 THR OG1 : rot -77:sc= -0.358 USER MOD Single : A 60 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-0.63) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -23.1! C(o=-23!,f=-35!) USER MOD Single : A 73 ASN :FLIP amide:sc= -8.09! C(o=-11!,f=-8.1!) USER MOD Single : A 75 SER OG : rot 47:sc= 1.08 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -4.97! C(o=-5!,f=-8.3!) USER MOD Single : A 91 THR OG1 : rot -56:sc= 0.895 USER MOD Single : A 94 ASN :FLIP amide:sc= 0.184 F(o=-3.6!,f=0.18) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0678! USER MOD Single : A 101 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 103 ASN :FLIP amide:sc= -2.99! C(o=-7.2!,f=-3!) USER MOD Single : A 105 THR OG1 : rot 64:sc= -0.316 USER MOD Single : A 108 THR OG1 : rot -85:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.627 -20.356 3.488 1.00 0.00 N ATOM 2 CA ALA A 1 -2.052 -19.958 3.425 1.00 0.00 C ATOM 3 C ALA A 1 -2.286 -19.049 2.227 1.00 0.00 C ATOM 4 O ALA A 1 -3.332 -19.088 1.610 1.00 0.00 O ATOM 5 CB ALA A 1 -2.440 -19.193 4.699 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.520 -21.161 4.137 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.301 -20.630 2.539 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.058 -19.556 3.832 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.658 -20.859 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.490 -18.904 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.284 -19.832 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.822 -18.300 4.789 1.00 0.00 H new ATOM 13 N SER A 2 -1.307 -18.245 1.918 1.00 0.00 N ATOM 14 CA SER A 2 -1.455 -17.327 0.763 1.00 0.00 C ATOM 15 C SER A 2 -1.116 -18.038 -0.542 1.00 0.00 C ATOM 16 O SER A 2 0.033 -18.322 -0.817 1.00 0.00 O ATOM 17 CB SER A 2 -0.485 -16.150 0.952 1.00 0.00 C ATOM 18 OG SER A 2 -1.145 -15.303 1.882 1.00 0.00 O ATOM 0 H SER A 2 -0.418 -18.186 2.414 1.00 0.00 H new ATOM 0 HA SER A 2 -2.487 -16.981 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.479 -16.486 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.294 -15.636 0.010 1.00 0.00 H new ATOM 0 HG SER A 2 -0.587 -14.518 2.063 1.00 0.00 H new ATOM 24 N SER A 3 -2.125 -18.313 -1.322 1.00 0.00 N ATOM 25 CA SER A 3 -1.882 -19.005 -2.613 1.00 0.00 C ATOM 26 C SER A 3 -2.958 -18.641 -3.628 1.00 0.00 C ATOM 27 O SER A 3 -3.983 -18.090 -3.279 1.00 0.00 O ATOM 28 CB SER A 3 -1.923 -20.521 -2.367 1.00 0.00 C ATOM 29 OG SER A 3 -3.290 -20.791 -2.097 1.00 0.00 O ATOM 0 H SER A 3 -3.100 -18.089 -1.121 1.00 0.00 H new ATOM 0 HA SER A 3 -0.912 -18.700 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.571 -21.076 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.287 -20.806 -1.529 1.00 0.00 H new ATOM 0 HG SER A 3 -3.407 -21.749 -1.928 1.00 0.00 H new ATOM 35 N GLY A 4 -2.709 -18.955 -4.873 1.00 0.00 N ATOM 36 CA GLY A 4 -3.717 -18.629 -5.920 1.00 0.00 C ATOM 37 C GLY A 4 -4.191 -17.179 -5.762 1.00 0.00 C ATOM 38 O GLY A 4 -5.287 -16.922 -5.305 1.00 0.00 O ATOM 0 H GLY A 4 -1.862 -19.417 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.284 -18.772 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.566 -19.308 -5.842 1.00 0.00 H new ATOM 42 N PRO A 5 -3.337 -16.259 -6.153 1.00 0.00 N ATOM 43 CA PRO A 5 -3.645 -14.835 -6.063 1.00 0.00 C ATOM 44 C PRO A 5 -4.773 -14.450 -7.011 1.00 0.00 C ATOM 45 O PRO A 5 -5.307 -15.290 -7.711 1.00 0.00 O ATOM 46 CB PRO A 5 -2.347 -14.120 -6.486 1.00 0.00 C ATOM 47 CG PRO A 5 -1.334 -15.224 -6.928 1.00 0.00 C ATOM 48 CD PRO A 5 -2.018 -16.585 -6.704 1.00 0.00 C ATOM 0 HA PRO A 5 -3.972 -14.564 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.539 -13.425 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.943 -13.536 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.061 -15.098 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.413 -15.156 -6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.106 -17.141 -7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.445 -17.206 -6.016 1.00 0.00 H new ATOM 56 N ALA A 6 -5.111 -13.180 -7.015 1.00 0.00 N ATOM 57 CA ALA A 6 -6.204 -12.707 -7.907 1.00 0.00 C ATOM 58 C ALA A 6 -5.672 -11.818 -9.041 1.00 0.00 C ATOM 59 O ALA A 6 -4.494 -11.808 -9.339 1.00 0.00 O ATOM 60 CB ALA A 6 -7.190 -11.884 -7.056 1.00 0.00 C ATOM 0 H ALA A 6 -4.676 -12.459 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.685 -13.575 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.003 -11.524 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.597 -12.511 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.669 -11.034 -6.616 1.00 0.00 H new ATOM 66 N GLY A 7 -6.576 -11.094 -9.641 1.00 0.00 N ATOM 67 CA GLY A 7 -6.211 -10.174 -10.771 1.00 0.00 C ATOM 68 C GLY A 7 -7.501 -9.559 -11.291 1.00 0.00 C ATOM 69 O GLY A 7 -7.827 -9.651 -12.457 1.00 0.00 O ATOM 0 H GLY A 7 -7.567 -11.096 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.527 -9.398 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.701 -10.722 -11.563 1.00 0.00 H new ATOM 73 N CYS A 8 -8.207 -8.956 -10.383 1.00 0.00 N ATOM 74 CA CYS A 8 -9.497 -8.306 -10.717 1.00 0.00 C ATOM 75 C CYS A 8 -9.405 -7.308 -11.850 1.00 0.00 C ATOM 76 O CYS A 8 -8.424 -7.223 -12.571 1.00 0.00 O ATOM 77 CB CYS A 8 -9.932 -7.505 -9.509 1.00 0.00 C ATOM 78 SG CYS A 8 -9.388 -5.772 -9.483 1.00 0.00 S ATOM 0 H CYS A 8 -7.938 -8.885 -9.402 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.181 -9.103 -11.009 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.020 -7.527 -9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.557 -7.999 -8.613 1.00 0.00 H new ATOM 83 N GLN A 9 -10.455 -6.537 -11.930 1.00 0.00 N ATOM 84 CA GLN A 9 -10.573 -5.498 -12.956 1.00 0.00 C ATOM 85 C GLN A 9 -11.321 -4.296 -12.349 1.00 0.00 C ATOM 86 O GLN A 9 -12.538 -4.234 -12.389 1.00 0.00 O ATOM 87 CB GLN A 9 -11.387 -6.062 -14.142 1.00 0.00 C ATOM 88 CG GLN A 9 -10.993 -7.522 -14.375 1.00 0.00 C ATOM 89 CD GLN A 9 -11.917 -8.130 -15.434 1.00 0.00 C ATOM 90 OE1 GLN A 9 -12.851 -8.843 -15.123 1.00 0.00 O ATOM 91 NE2 GLN A 9 -11.693 -7.874 -16.694 1.00 0.00 N ATOM 0 H GLN A 9 -11.254 -6.598 -11.299 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.587 -5.187 -13.302 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -12.454 -5.990 -13.933 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.198 -5.474 -15.040 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.955 -7.583 -14.702 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.067 -8.084 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.911 -7.276 -16.962 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.300 -8.271 -17.411 1.00 0.00 H new ATOM 100 N VAL A 10 -10.584 -3.377 -11.765 1.00 0.00 N ATOM 101 CA VAL A 10 -11.249 -2.190 -11.152 1.00 0.00 C ATOM 102 C VAL A 10 -11.452 -1.056 -12.138 1.00 0.00 C ATOM 103 O VAL A 10 -10.602 -0.768 -12.937 1.00 0.00 O ATOM 104 CB VAL A 10 -10.363 -1.662 -10.010 1.00 0.00 C ATOM 105 CG1 VAL A 10 -9.676 -2.829 -9.319 1.00 0.00 C ATOM 106 CG2 VAL A 10 -9.298 -0.721 -10.580 1.00 0.00 C ATOM 0 H VAL A 10 -9.567 -3.400 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.228 -2.516 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.983 -1.123 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.048 -2.455 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.428 -3.505 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.058 -3.366 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.671 -0.348 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.680 -1.262 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.783 0.118 -11.079 1.00 0.00 H new ATOM 116 N LEU A 11 -12.575 -0.413 -12.020 1.00 0.00 N ATOM 117 CA LEU A 11 -12.882 0.725 -12.934 1.00 0.00 C ATOM 118 C LEU A 11 -12.989 2.011 -12.135 1.00 0.00 C ATOM 119 O LEU A 11 -12.981 1.985 -10.913 1.00 0.00 O ATOM 120 CB LEU A 11 -14.225 0.469 -13.618 1.00 0.00 C ATOM 121 CG LEU A 11 -15.170 -0.171 -12.616 1.00 0.00 C ATOM 122 CD1 LEU A 11 -16.604 0.215 -12.981 1.00 0.00 C ATOM 123 CD2 LEU A 11 -15.014 -1.707 -12.649 1.00 0.00 C ATOM 0 H LEU A 11 -13.297 -0.623 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.087 0.814 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.644 1.404 -13.988 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.091 -0.184 -14.481 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.936 0.180 -11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.295 -0.238 -12.270 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.708 1.299 -12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -16.832 -0.141 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.695 -2.158 -11.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.248 -2.075 -13.648 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.988 -1.974 -12.395 1.00 0.00 H new ATOM 135 N TRP A 12 -13.111 3.112 -12.834 1.00 0.00 N ATOM 136 CA TRP A 12 -13.220 4.420 -12.138 1.00 0.00 C ATOM 137 C TRP A 12 -14.349 5.266 -12.702 1.00 0.00 C ATOM 138 O TRP A 12 -14.661 5.202 -13.874 1.00 0.00 O ATOM 139 CB TRP A 12 -11.913 5.175 -12.370 1.00 0.00 C ATOM 140 CG TRP A 12 -11.710 6.232 -11.284 1.00 0.00 C ATOM 141 CD1 TRP A 12 -12.316 7.409 -11.277 1.00 0.00 C ATOM 142 CD2 TRP A 12 -10.858 6.133 -10.287 1.00 0.00 C ATOM 143 NE1 TRP A 12 -11.782 8.038 -10.218 1.00 0.00 N ATOM 144 CE2 TRP A 12 -10.842 7.295 -9.535 1.00 0.00 C ATOM 145 CE3 TRP A 12 -10.025 5.081 -9.934 1.00 0.00 C ATOM 146 CZ2 TRP A 12 -10.004 7.406 -8.450 1.00 0.00 C ATOM 147 CZ3 TRP A 12 -9.185 5.200 -8.843 1.00 0.00 C ATOM 148 CH2 TRP A 12 -9.175 6.361 -8.104 1.00 0.00 C ATOM 0 H TRP A 12 -13.139 3.157 -13.853 1.00 0.00 H new ATOM 0 HA TRP A 12 -13.418 4.238 -11.082 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.076 4.476 -12.368 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.929 5.650 -13.351 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.065 7.777 -11.963 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.048 8.983 -9.942 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.033 4.169 -10.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -9.996 8.315 -7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -8.536 4.381 -8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.517 6.453 -7.252 1.00 0.00 H new ATOM 159 N GLY A 13 -14.935 6.041 -11.839 1.00 0.00 N ATOM 160 CA GLY A 13 -16.061 6.932 -12.258 1.00 0.00 C ATOM 161 C GLY A 13 -15.764 8.364 -11.799 1.00 0.00 C ATOM 162 O GLY A 13 -16.163 8.771 -10.727 1.00 0.00 O ATOM 0 H GLY A 13 -14.685 6.100 -10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.182 6.902 -13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.998 6.584 -11.823 1.00 0.00 H new ATOM 166 N VAL A 14 -15.069 9.100 -12.624 1.00 0.00 N ATOM 167 CA VAL A 14 -14.735 10.499 -12.253 1.00 0.00 C ATOM 168 C VAL A 14 -15.909 11.451 -12.444 1.00 0.00 C ATOM 169 O VAL A 14 -16.658 11.349 -13.396 1.00 0.00 O ATOM 170 CB VAL A 14 -13.574 10.973 -13.143 1.00 0.00 C ATOM 171 CG1 VAL A 14 -14.134 11.569 -14.437 1.00 0.00 C ATOM 172 CG2 VAL A 14 -12.788 12.051 -12.400 1.00 0.00 C ATOM 0 H VAL A 14 -14.721 8.793 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.469 10.509 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.925 10.130 -13.379 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.312 11.905 -15.068 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.712 10.811 -14.966 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.778 12.415 -14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.962 12.394 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.446 12.891 -12.175 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.395 11.639 -11.471 1.00 0.00 H new ATOM 182 N ASN A 15 -16.038 12.362 -11.521 1.00 0.00 N ATOM 183 CA ASN A 15 -17.145 13.352 -11.600 1.00 0.00 C ATOM 184 C ASN A 15 -16.706 14.654 -10.938 1.00 0.00 C ATOM 185 O ASN A 15 -17.181 15.005 -9.875 1.00 0.00 O ATOM 186 CB ASN A 15 -18.360 12.782 -10.844 1.00 0.00 C ATOM 187 CG ASN A 15 -19.631 13.502 -11.299 1.00 0.00 C ATOM 188 OD1 ASN A 15 -19.710 14.014 -12.397 1.00 0.00 O ATOM 189 ND2 ASN A 15 -20.650 13.560 -10.482 1.00 0.00 N ATOM 0 H ASN A 15 -15.423 12.463 -10.714 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.404 13.546 -12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.449 11.712 -11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -18.224 12.907 -9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -21.507 14.034 -10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -20.588 13.131 -9.559 1.00 0.00 H new ATOM 196 N GLN A 16 -15.803 15.360 -11.584 1.00 0.00 N ATOM 197 CA GLN A 16 -15.324 16.639 -10.994 1.00 0.00 C ATOM 198 C GLN A 16 -16.097 17.842 -11.452 1.00 0.00 C ATOM 199 O GLN A 16 -16.579 17.916 -12.565 1.00 0.00 O ATOM 200 CB GLN A 16 -13.824 16.818 -11.335 1.00 0.00 C ATOM 201 CG GLN A 16 -13.663 17.671 -12.600 1.00 0.00 C ATOM 202 CD GLN A 16 -14.378 16.982 -13.765 1.00 0.00 C ATOM 203 OE1 GLN A 16 -14.443 15.676 -13.785 1.00 0.00 O flip ATOM 204 NE2 GLN A 16 -14.881 17.623 -14.667 1.00 0.00 N flip ATOM 0 H GLN A 16 -15.387 15.105 -12.480 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.478 16.572 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.309 17.293 -10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.359 15.843 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.080 18.665 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.606 17.802 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.833 18.642 -14.657 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.351 17.142 -15.434 1.00 0.00 H new ATOM 213 N TRP A 17 -16.188 18.770 -10.545 1.00 0.00 N ATOM 214 CA TRP A 17 -16.924 20.045 -10.825 1.00 0.00 C ATOM 215 C TRP A 17 -15.956 21.221 -10.766 1.00 0.00 C ATOM 216 O TRP A 17 -15.730 21.772 -9.718 1.00 0.00 O ATOM 217 CB TRP A 17 -17.982 20.228 -9.721 1.00 0.00 C ATOM 218 CG TRP A 17 -17.460 19.599 -8.416 1.00 0.00 C ATOM 219 CD1 TRP A 17 -16.664 20.220 -7.550 1.00 0.00 C ATOM 220 CD2 TRP A 17 -17.710 18.370 -8.027 1.00 0.00 C ATOM 221 NE1 TRP A 17 -16.436 19.291 -6.605 1.00 0.00 N ATOM 222 CE2 TRP A 17 -17.071 18.085 -6.832 1.00 0.00 C ATOM 223 CE3 TRP A 17 -18.495 17.403 -8.629 1.00 0.00 C ATOM 224 CZ2 TRP A 17 -17.215 16.845 -6.246 1.00 0.00 C ATOM 225 CZ3 TRP A 17 -18.638 16.163 -8.039 1.00 0.00 C ATOM 226 CH2 TRP A 17 -17.999 15.885 -6.848 1.00 0.00 C ATOM 0 H TRP A 17 -15.783 18.705 -9.611 1.00 0.00 H new ATOM 0 HA TRP A 17 -17.384 20.004 -11.812 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -18.190 21.287 -9.571 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -18.920 19.758 -10.017 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.289 21.232 -7.595 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -15.845 19.462 -5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -18.996 17.618 -9.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -16.713 16.626 -5.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.251 15.409 -8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -18.113 14.915 -6.388 1.00 0.00 H new ATOM 237 N ASN A 18 -15.391 21.590 -11.891 1.00 0.00 N ATOM 238 CA ASN A 18 -14.431 22.736 -11.873 1.00 0.00 C ATOM 239 C ASN A 18 -13.251 22.365 -11.036 1.00 0.00 C ATOM 240 O ASN A 18 -12.222 23.012 -11.063 1.00 0.00 O ATOM 241 CB ASN A 18 -15.095 23.960 -11.222 1.00 0.00 C ATOM 242 CG ASN A 18 -16.592 23.973 -11.540 1.00 0.00 C ATOM 243 OD1 ASN A 18 -17.420 24.180 -10.674 1.00 0.00 O ATOM 244 ND2 ASN A 18 -16.984 23.758 -12.765 1.00 0.00 N ATOM 0 H ASN A 18 -15.549 21.158 -12.801 1.00 0.00 H new ATOM 0 HA ASN A 18 -14.132 22.966 -12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -14.944 23.935 -10.143 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -14.629 24.875 -11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.979 23.764 -12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.296 23.584 -13.497 1.00 0.00 H new ATOM 251 N THR A 19 -13.425 21.308 -10.322 1.00 0.00 N ATOM 252 CA THR A 19 -12.384 20.818 -9.455 1.00 0.00 C ATOM 253 C THR A 19 -13.006 19.841 -8.474 1.00 0.00 C ATOM 254 O THR A 19 -14.208 19.815 -8.317 1.00 0.00 O ATOM 255 CB THR A 19 -11.801 21.991 -8.721 1.00 0.00 C ATOM 256 OG1 THR A 19 -10.594 22.292 -9.391 1.00 0.00 O ATOM 257 CG2 THR A 19 -11.378 21.598 -7.323 1.00 0.00 C ATOM 0 H THR A 19 -14.282 20.755 -10.314 1.00 0.00 H new ATOM 0 HA THR A 19 -11.599 20.314 -10.018 1.00 0.00 H new ATOM 0 HB THR A 19 -12.530 22.800 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.784 22.856 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.959 22.465 -6.812 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.244 21.234 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.626 20.811 -7.378 1.00 0.00 H new ATOM 265 N GLY A 20 -12.211 19.060 -7.837 1.00 0.00 N ATOM 266 CA GLY A 20 -12.786 18.102 -6.882 1.00 0.00 C ATOM 267 C GLY A 20 -13.439 17.027 -7.696 1.00 0.00 C ATOM 268 O GLY A 20 -14.603 17.133 -8.030 1.00 0.00 O ATOM 0 H GLY A 20 -11.196 19.040 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.012 17.684 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.512 18.591 -6.232 1.00 0.00 H new ATOM 272 N PHE A 21 -12.669 16.011 -8.015 1.00 0.00 N ATOM 273 CA PHE A 21 -13.213 14.906 -8.818 1.00 0.00 C ATOM 274 C PHE A 21 -13.689 13.769 -7.980 1.00 0.00 C ATOM 275 O PHE A 21 -12.931 13.159 -7.253 1.00 0.00 O ATOM 276 CB PHE A 21 -12.112 14.379 -9.762 1.00 0.00 C ATOM 277 CG PHE A 21 -11.048 13.630 -8.955 1.00 0.00 C ATOM 278 CD1 PHE A 21 -10.028 14.318 -8.326 1.00 0.00 C ATOM 279 CD2 PHE A 21 -11.098 12.248 -8.842 1.00 0.00 C ATOM 280 CE1 PHE A 21 -9.075 13.637 -7.596 1.00 0.00 C ATOM 281 CE2 PHE A 21 -10.144 11.575 -8.113 1.00 0.00 C ATOM 282 CZ PHE A 21 -9.134 12.267 -7.490 1.00 0.00 C ATOM 0 H PHE A 21 -11.690 15.914 -7.747 1.00 0.00 H new ATOM 0 HA PHE A 21 -14.065 15.300 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.548 13.716 -10.509 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.655 15.209 -10.301 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.976 15.394 -8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -11.890 11.698 -9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.281 14.181 -7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.190 10.499 -8.030 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.387 11.736 -6.918 1.00 0.00 H new ATOM 292 N THR A 22 -14.946 13.508 -8.060 1.00 0.00 N ATOM 293 CA THR A 22 -15.458 12.411 -7.277 1.00 0.00 C ATOM 294 C THR A 22 -14.888 11.157 -7.891 1.00 0.00 C ATOM 295 O THR A 22 -14.298 11.227 -8.957 1.00 0.00 O ATOM 296 CB THR A 22 -16.980 12.403 -7.369 1.00 0.00 C ATOM 297 OG1 THR A 22 -17.429 12.115 -6.061 1.00 0.00 O ATOM 298 CG2 THR A 22 -17.471 11.231 -8.210 1.00 0.00 C ATOM 0 H THR A 22 -15.626 14.009 -8.632 1.00 0.00 H new ATOM 0 HA THR A 22 -15.182 12.490 -6.225 1.00 0.00 H new ATOM 0 HB THR A 22 -17.329 13.345 -7.792 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.409 12.096 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.560 11.249 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 22 -17.061 11.309 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 22 -17.144 10.295 -7.756 1.00 0.00 H new ATOM 306 N ALA A 23 -15.062 10.044 -7.263 1.00 0.00 N ATOM 307 CA ALA A 23 -14.502 8.822 -7.865 1.00 0.00 C ATOM 308 C ALA A 23 -15.288 7.589 -7.502 1.00 0.00 C ATOM 309 O ALA A 23 -15.191 7.088 -6.403 1.00 0.00 O ATOM 310 CB ALA A 23 -13.064 8.659 -7.361 1.00 0.00 C ATOM 0 H ALA A 23 -15.556 9.926 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.542 8.927 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.627 7.759 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.474 9.527 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.067 8.575 -6.274 1.00 0.00 H new ATOM 316 N ASN A 24 -16.071 7.132 -8.438 1.00 0.00 N ATOM 317 CA ASN A 24 -16.879 5.929 -8.189 1.00 0.00 C ATOM 318 C ASN A 24 -16.071 4.730 -8.636 1.00 0.00 C ATOM 319 O ASN A 24 -16.005 4.423 -9.813 1.00 0.00 O ATOM 320 CB ASN A 24 -18.166 6.014 -9.020 1.00 0.00 C ATOM 321 CG ASN A 24 -19.217 5.080 -8.423 1.00 0.00 C ATOM 322 OD1 ASN A 24 -19.092 3.795 -8.599 1.00 0.00 O flip ATOM 323 ND2 ASN A 24 -20.163 5.511 -7.793 1.00 0.00 N flip ATOM 0 H ASN A 24 -16.180 7.547 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.136 5.844 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.538 7.038 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.963 5.737 -10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.266 6.516 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.853 4.868 -7.406 1.00 0.00 H new ATOM 330 N VAL A 25 -15.449 4.087 -7.694 1.00 0.00 N ATOM 331 CA VAL A 25 -14.628 2.901 -8.033 1.00 0.00 C ATOM 332 C VAL A 25 -15.366 1.606 -7.825 1.00 0.00 C ATOM 333 O VAL A 25 -16.082 1.437 -6.861 1.00 0.00 O ATOM 334 CB VAL A 25 -13.404 2.904 -7.120 1.00 0.00 C ATOM 335 CG1 VAL A 25 -12.804 1.501 -7.062 1.00 0.00 C ATOM 336 CG2 VAL A 25 -12.365 3.853 -7.702 1.00 0.00 C ATOM 0 H VAL A 25 -15.474 4.332 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.362 2.965 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.695 3.220 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.931 1.505 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.545 0.804 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.507 1.191 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.484 3.866 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.083 3.516 -8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.784 4.857 -7.764 1.00 0.00 H new ATOM 346 N THR A 26 -15.158 0.709 -8.747 1.00 0.00 N ATOM 347 CA THR A 26 -15.816 -0.611 -8.666 1.00 0.00 C ATOM 348 C THR A 26 -14.739 -1.685 -8.730 1.00 0.00 C ATOM 349 O THR A 26 -13.717 -1.473 -9.339 1.00 0.00 O ATOM 350 CB THR A 26 -16.748 -0.761 -9.865 1.00 0.00 C ATOM 351 OG1 THR A 26 -17.145 0.554 -10.195 1.00 0.00 O ATOM 352 CG2 THR A 26 -18.054 -1.465 -9.467 1.00 0.00 C ATOM 0 H THR A 26 -14.554 0.841 -9.558 1.00 0.00 H new ATOM 0 HA THR A 26 -16.384 -0.705 -7.741 1.00 0.00 H new ATOM 0 HB THR A 26 -16.242 -1.316 -10.654 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.095 0.558 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.698 -1.558 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.828 -2.457 -9.076 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.564 -0.880 -8.701 1.00 0.00 H new ATOM 360 N VAL A 27 -14.976 -2.803 -8.093 1.00 0.00 N ATOM 361 CA VAL A 27 -13.968 -3.892 -8.112 1.00 0.00 C ATOM 362 C VAL A 27 -14.546 -5.174 -8.637 1.00 0.00 C ATOM 363 O VAL A 27 -15.231 -5.883 -7.937 1.00 0.00 O ATOM 364 CB VAL A 27 -13.520 -4.113 -6.682 1.00 0.00 C ATOM 365 CG1 VAL A 27 -12.186 -4.830 -6.669 1.00 0.00 C ATOM 366 CG2 VAL A 27 -13.355 -2.766 -6.040 1.00 0.00 C ATOM 0 H VAL A 27 -15.824 -3.004 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.143 -3.606 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.254 -4.715 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.867 -4.987 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.286 -5.794 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.443 -4.226 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.032 -2.893 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.607 -2.192 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.306 -2.234 -6.060 1.00 0.00 H new ATOM 376 N LYS A 28 -14.250 -5.455 -9.859 1.00 0.00 N ATOM 377 CA LYS A 28 -14.780 -6.709 -10.460 1.00 0.00 C ATOM 378 C LYS A 28 -13.841 -7.849 -10.185 1.00 0.00 C ATOM 379 O LYS A 28 -12.826 -7.989 -10.840 1.00 0.00 O ATOM 380 CB LYS A 28 -14.909 -6.541 -11.986 1.00 0.00 C ATOM 381 CG LYS A 28 -15.227 -7.915 -12.643 1.00 0.00 C ATOM 382 CD LYS A 28 -16.667 -8.307 -12.329 1.00 0.00 C ATOM 383 CE LYS A 28 -17.193 -9.217 -13.439 1.00 0.00 C ATOM 384 NZ LYS A 28 -18.469 -9.864 -13.022 1.00 0.00 N ATOM 0 H LYS A 28 -13.670 -4.882 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.756 -6.919 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.699 -5.826 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.983 -6.137 -12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.082 -7.857 -13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.542 -8.676 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.716 -8.820 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.290 -7.416 -12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.352 -8.637 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.451 -9.980 -13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.813 -10.479 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.306 -10.433 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.180 -9.132 -12.820 1.00 0.00 H new ATOM 398 N ASN A 29 -14.193 -8.653 -9.236 1.00 0.00 N ATOM 399 CA ASN A 29 -13.331 -9.797 -8.903 1.00 0.00 C ATOM 400 C ASN A 29 -13.834 -11.052 -9.591 1.00 0.00 C ATOM 401 O ASN A 29 -14.977 -11.469 -9.394 1.00 0.00 O ATOM 402 CB ASN A 29 -13.363 -10.011 -7.389 1.00 0.00 C ATOM 403 CG ASN A 29 -12.593 -11.284 -7.047 1.00 0.00 C ATOM 404 OD1 ASN A 29 -12.921 -12.399 -7.639 1.00 0.00 O flip ATOM 405 ND2 ASN A 29 -11.687 -11.278 -6.238 1.00 0.00 N flip ATOM 0 H ASN A 29 -15.042 -8.565 -8.677 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.314 -9.592 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.920 -9.155 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.393 -10.090 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.426 -10.409 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.188 -12.142 -6.025 1.00 0.00 H new ATOM 412 N THR A 30 -12.973 -11.623 -10.396 1.00 0.00 N ATOM 413 CA THR A 30 -13.334 -12.857 -11.130 1.00 0.00 C ATOM 414 C THR A 30 -12.271 -13.911 -10.910 1.00 0.00 C ATOM 415 O THR A 30 -12.370 -15.015 -11.407 1.00 0.00 O ATOM 416 CB THR A 30 -13.404 -12.532 -12.625 1.00 0.00 C ATOM 417 OG1 THR A 30 -14.071 -13.629 -13.214 1.00 0.00 O ATOM 418 CG2 THR A 30 -12.002 -12.550 -13.251 1.00 0.00 C ATOM 0 H THR A 30 -12.029 -11.278 -10.572 1.00 0.00 H new ATOM 0 HA THR A 30 -14.294 -13.229 -10.773 1.00 0.00 H new ATOM 0 HB THR A 30 -13.876 -11.561 -12.772 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.761 -14.461 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.075 -12.317 -14.313 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.374 -11.807 -12.759 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.560 -13.539 -13.126 1.00 0.00 H new ATOM 426 N SER A 31 -11.265 -13.547 -10.164 1.00 0.00 N ATOM 427 CA SER A 31 -10.180 -14.501 -9.892 1.00 0.00 C ATOM 428 C SER A 31 -10.729 -15.865 -9.479 1.00 0.00 C ATOM 429 O SER A 31 -10.881 -16.737 -10.306 1.00 0.00 O ATOM 430 CB SER A 31 -9.331 -13.933 -8.758 1.00 0.00 C ATOM 431 OG SER A 31 -10.279 -13.399 -7.846 1.00 0.00 O ATOM 0 H SER A 31 -11.157 -12.628 -9.736 1.00 0.00 H new ATOM 0 HA SER A 31 -9.589 -14.641 -10.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.721 -14.707 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.648 -13.164 -9.119 1.00 0.00 H new ATOM 0 HG SER A 31 -9.825 -13.141 -7.016 1.00 0.00 H new ATOM 437 N SER A 32 -11.029 -16.020 -8.203 1.00 0.00 N ATOM 438 CA SER A 32 -11.573 -17.336 -7.724 1.00 0.00 C ATOM 439 C SER A 32 -11.507 -17.459 -6.181 1.00 0.00 C ATOM 440 O SER A 32 -11.146 -18.496 -5.658 1.00 0.00 O ATOM 441 CB SER A 32 -10.720 -18.473 -8.358 1.00 0.00 C ATOM 442 OG SER A 32 -9.438 -17.890 -8.535 1.00 0.00 O ATOM 0 H SER A 32 -10.922 -15.303 -7.485 1.00 0.00 H new ATOM 0 HA SER A 32 -12.619 -17.408 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.674 -19.346 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.141 -18.805 -9.307 1.00 0.00 H new ATOM 0 HG SER A 32 -8.831 -18.548 -8.934 1.00 0.00 H new ATOM 448 N ALA A 33 -11.856 -16.400 -5.471 1.00 0.00 N ATOM 449 CA ALA A 33 -11.805 -16.491 -3.989 1.00 0.00 C ATOM 450 C ALA A 33 -12.896 -15.627 -3.338 1.00 0.00 C ATOM 451 O ALA A 33 -13.360 -14.662 -3.918 1.00 0.00 O ATOM 452 CB ALA A 33 -10.432 -15.982 -3.523 1.00 0.00 C ATOM 0 H ALA A 33 -12.164 -15.505 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.967 -17.528 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.372 -16.040 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.647 -16.598 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.301 -14.947 -3.839 1.00 0.00 H new ATOM 458 N PRO A 34 -13.317 -16.019 -2.140 1.00 0.00 N ATOM 459 CA PRO A 34 -14.346 -15.280 -1.418 1.00 0.00 C ATOM 460 C PRO A 34 -13.795 -13.934 -0.956 1.00 0.00 C ATOM 461 O PRO A 34 -13.157 -13.846 0.076 1.00 0.00 O ATOM 462 CB PRO A 34 -14.667 -16.154 -0.183 1.00 0.00 C ATOM 463 CG PRO A 34 -13.593 -17.281 -0.130 1.00 0.00 C ATOM 464 CD PRO A 34 -12.822 -17.231 -1.459 1.00 0.00 C ATOM 0 HA PRO A 34 -15.223 -15.086 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.644 -15.557 0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.668 -16.579 -0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.918 -17.131 0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.063 -18.255 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.746 -17.178 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.007 -18.123 -2.057 1.00 0.00 H new ATOM 472 N VAL A 35 -14.037 -12.907 -1.722 1.00 0.00 N ATOM 473 CA VAL A 35 -13.520 -11.583 -1.312 1.00 0.00 C ATOM 474 C VAL A 35 -14.305 -11.025 -0.137 1.00 0.00 C ATOM 475 O VAL A 35 -15.362 -10.448 -0.309 1.00 0.00 O ATOM 476 CB VAL A 35 -13.629 -10.604 -2.492 1.00 0.00 C ATOM 477 CG1 VAL A 35 -12.586 -9.500 -2.318 1.00 0.00 C ATOM 478 CG2 VAL A 35 -13.360 -11.345 -3.798 1.00 0.00 C ATOM 0 H VAL A 35 -14.561 -12.930 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.480 -11.704 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.630 -10.173 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.655 -8.800 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.769 -8.971 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.589 -9.941 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.438 -10.649 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.358 -11.773 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.092 -12.143 -3.921 1.00 0.00 H new ATOM 488 N ASP A 36 -13.773 -11.231 1.041 1.00 0.00 N ATOM 489 CA ASP A 36 -14.443 -10.729 2.268 1.00 0.00 C ATOM 490 C ASP A 36 -13.579 -9.655 2.881 1.00 0.00 C ATOM 491 O ASP A 36 -12.811 -9.906 3.789 1.00 0.00 O ATOM 492 CB ASP A 36 -14.579 -11.883 3.260 1.00 0.00 C ATOM 493 CG ASP A 36 -15.134 -11.352 4.583 1.00 0.00 C ATOM 494 OD1 ASP A 36 -15.982 -10.478 4.502 1.00 0.00 O ATOM 495 OD2 ASP A 36 -14.677 -11.848 5.599 1.00 0.00 O ATOM 0 H ASP A 36 -12.897 -11.729 1.201 1.00 0.00 H new ATOM 0 HA ASP A 36 -15.427 -10.328 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.242 -12.648 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.609 -12.354 3.422 1.00 0.00 H new ATOM 500 N GLY A 37 -13.716 -8.475 2.373 1.00 0.00 N ATOM 501 CA GLY A 37 -12.906 -7.355 2.904 1.00 0.00 C ATOM 502 C GLY A 37 -11.512 -7.457 2.292 1.00 0.00 C ATOM 503 O GLY A 37 -10.979 -8.542 2.164 1.00 0.00 O ATOM 0 H GLY A 37 -14.353 -8.234 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.365 -6.399 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.851 -7.406 3.991 1.00 0.00 H new ATOM 507 N TRP A 38 -10.939 -6.351 1.922 1.00 0.00 N ATOM 508 CA TRP A 38 -9.583 -6.438 1.320 1.00 0.00 C ATOM 509 C TRP A 38 -8.855 -5.128 1.387 1.00 0.00 C ATOM 510 O TRP A 38 -9.391 -4.132 1.827 1.00 0.00 O ATOM 511 CB TRP A 38 -9.712 -6.854 -0.172 1.00 0.00 C ATOM 512 CG TRP A 38 -10.748 -5.973 -0.900 1.00 0.00 C ATOM 513 CD1 TRP A 38 -11.993 -6.349 -1.141 1.00 0.00 C ATOM 514 CD2 TRP A 38 -10.529 -4.746 -1.347 1.00 0.00 C ATOM 515 NE1 TRP A 38 -12.539 -5.288 -1.760 1.00 0.00 N ATOM 516 CE2 TRP A 38 -11.671 -4.215 -1.926 1.00 0.00 C ATOM 517 CE3 TRP A 38 -9.384 -3.978 -1.283 1.00 0.00 C ATOM 518 CZ2 TRP A 38 -11.652 -2.919 -2.423 1.00 0.00 C ATOM 519 CZ3 TRP A 38 -9.380 -2.693 -1.778 1.00 0.00 C ATOM 520 CH2 TRP A 38 -10.509 -2.168 -2.348 1.00 0.00 C ATOM 0 H TRP A 38 -11.335 -5.415 2.006 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.016 -7.176 1.887 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.743 -6.765 -0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -10.008 -7.901 -0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -12.462 -7.291 -0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -13.507 -5.272 -2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.487 -4.387 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.542 -2.501 -2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.482 -2.096 -1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.498 -1.161 -2.739 1.00 0.00 H new ATOM 531 N THR A 39 -7.630 -5.156 0.946 1.00 0.00 N ATOM 532 CA THR A 39 -6.822 -3.934 0.961 1.00 0.00 C ATOM 533 C THR A 39 -5.944 -3.858 -0.279 1.00 0.00 C ATOM 534 O THR A 39 -5.004 -4.616 -0.411 1.00 0.00 O ATOM 535 CB THR A 39 -5.920 -3.970 2.183 1.00 0.00 C ATOM 536 OG1 THR A 39 -6.630 -4.710 3.157 1.00 0.00 O ATOM 537 CG2 THR A 39 -5.777 -2.578 2.781 1.00 0.00 C ATOM 0 H THR A 39 -7.162 -5.983 0.576 1.00 0.00 H new ATOM 0 HA THR A 39 -7.485 -3.069 0.983 1.00 0.00 H new ATOM 0 HB THR A 39 -4.944 -4.374 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.095 -4.771 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.128 -2.623 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.343 -1.907 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.758 -2.206 3.076 1.00 0.00 H new ATOM 545 N LEU A 40 -6.257 -2.939 -1.168 1.00 0.00 N ATOM 546 CA LEU A 40 -5.435 -2.816 -2.402 1.00 0.00 C ATOM 547 C LEU A 40 -4.442 -1.685 -2.247 1.00 0.00 C ATOM 548 O LEU A 40 -4.478 -0.957 -1.273 1.00 0.00 O ATOM 549 CB LEU A 40 -6.364 -2.538 -3.620 1.00 0.00 C ATOM 550 CG LEU A 40 -6.326 -1.053 -4.004 1.00 0.00 C ATOM 551 CD1 LEU A 40 -7.396 -0.793 -5.070 1.00 0.00 C ATOM 552 CD2 LEU A 40 -6.616 -0.190 -2.776 1.00 0.00 C ATOM 0 H LEU A 40 -7.034 -2.283 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.891 -3.746 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.051 -3.146 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.386 -2.830 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.339 -0.800 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.380 0.260 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.192 -1.407 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.378 -1.046 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.587 0.863 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.603 -0.435 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.864 -0.382 -2.010 1.00 0.00 H new ATOM 564 N THR A 41 -3.571 -1.546 -3.198 1.00 0.00 N ATOM 565 CA THR A 41 -2.586 -0.461 -3.087 1.00 0.00 C ATOM 566 C THR A 41 -2.064 -0.025 -4.445 1.00 0.00 C ATOM 567 O THR A 41 -1.961 -0.814 -5.372 1.00 0.00 O ATOM 568 CB THR A 41 -1.407 -0.969 -2.253 1.00 0.00 C ATOM 569 OG1 THR A 41 -1.723 -0.637 -0.918 1.00 0.00 O ATOM 570 CG2 THR A 41 -0.135 -0.166 -2.559 1.00 0.00 C ATOM 0 H THR A 41 -3.503 -2.129 -4.032 1.00 0.00 H new ATOM 0 HA THR A 41 -3.072 0.397 -2.622 1.00 0.00 H new ATOM 0 HB THR A 41 -1.246 -2.029 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.692 -0.696 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.689 -0.545 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.114 -0.267 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.303 0.885 -2.325 1.00 0.00 H new ATOM 578 N PHE A 42 -1.759 1.239 -4.525 1.00 0.00 N ATOM 579 CA PHE A 42 -1.234 1.817 -5.777 1.00 0.00 C ATOM 580 C PHE A 42 -0.818 3.252 -5.519 1.00 0.00 C ATOM 581 O PHE A 42 -0.349 3.563 -4.441 1.00 0.00 O ATOM 582 CB PHE A 42 -2.316 1.760 -6.879 1.00 0.00 C ATOM 583 CG PHE A 42 -3.418 2.787 -6.621 1.00 0.00 C ATOM 584 CD1 PHE A 42 -4.343 2.593 -5.610 1.00 0.00 C ATOM 585 CD2 PHE A 42 -3.555 3.886 -7.454 1.00 0.00 C ATOM 586 CE1 PHE A 42 -5.389 3.478 -5.442 1.00 0.00 C ATOM 587 CE2 PHE A 42 -4.600 4.767 -7.283 1.00 0.00 C ATOM 588 CZ PHE A 42 -5.517 4.562 -6.282 1.00 0.00 C ATOM 0 H PHE A 42 -1.856 1.903 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.370 1.245 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.860 1.948 -7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.748 0.760 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.246 1.745 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.837 4.053 -8.243 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.108 3.320 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.698 5.620 -7.937 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.339 5.251 -6.153 1.00 0.00 H new ATOM 598 N SER A 43 -0.993 4.113 -6.474 1.00 0.00 N ATOM 599 CA SER A 43 -0.587 5.515 -6.223 1.00 0.00 C ATOM 600 C SER A 43 -1.268 6.488 -7.160 1.00 0.00 C ATOM 601 O SER A 43 -1.646 6.139 -8.261 1.00 0.00 O ATOM 602 CB SER A 43 0.934 5.616 -6.448 1.00 0.00 C ATOM 603 OG SER A 43 1.483 4.604 -5.622 1.00 0.00 O ATOM 0 H SER A 43 -1.388 3.915 -7.393 1.00 0.00 H new ATOM 0 HA SER A 43 -0.874 5.774 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.192 5.457 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.311 6.601 -6.173 1.00 0.00 H new ATOM 0 HG SER A 43 0.899 4.461 -4.848 1.00 0.00 H new ATOM 609 N PHE A 44 -1.415 7.709 -6.704 1.00 0.00 N ATOM 610 CA PHE A 44 -2.070 8.722 -7.569 1.00 0.00 C ATOM 611 C PHE A 44 -1.005 9.314 -8.508 1.00 0.00 C ATOM 612 O PHE A 44 -0.057 9.920 -8.049 1.00 0.00 O ATOM 613 CB PHE A 44 -2.644 9.849 -6.676 1.00 0.00 C ATOM 614 CG PHE A 44 -4.080 9.487 -6.236 1.00 0.00 C ATOM 615 CD1 PHE A 44 -5.053 9.150 -7.174 1.00 0.00 C ATOM 616 CD2 PHE A 44 -4.424 9.488 -4.892 1.00 0.00 C ATOM 617 CE1 PHE A 44 -6.333 8.820 -6.766 1.00 0.00 C ATOM 618 CE2 PHE A 44 -5.706 9.158 -4.494 1.00 0.00 C ATOM 619 CZ PHE A 44 -6.657 8.825 -5.432 1.00 0.00 C ATOM 0 H PHE A 44 -1.114 8.038 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.874 8.268 -8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.010 9.990 -5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.648 10.792 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.807 9.146 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.684 9.749 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.080 8.557 -7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.962 9.161 -3.445 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.658 8.568 -5.118 1.00 0.00 H new ATOM 629 N PRO A 45 -1.169 9.133 -9.815 1.00 0.00 N ATOM 630 CA PRO A 45 -0.198 9.660 -10.765 1.00 0.00 C ATOM 631 C PRO A 45 -0.052 11.156 -10.606 1.00 0.00 C ATOM 632 O PRO A 45 1.008 11.648 -10.274 1.00 0.00 O ATOM 633 CB PRO A 45 -0.772 9.325 -12.156 1.00 0.00 C ATOM 634 CG PRO A 45 -2.121 8.581 -11.934 1.00 0.00 C ATOM 635 CD PRO A 45 -2.332 8.462 -10.415 1.00 0.00 C ATOM 0 HA PRO A 45 0.791 9.229 -10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.926 10.234 -12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.077 8.701 -12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.943 9.129 -12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.097 7.595 -12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.264 8.937 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.389 7.419 -10.105 1.00 0.00 H new ATOM 643 N SER A 46 -1.115 11.855 -10.842 1.00 0.00 N ATOM 644 CA SER A 46 -1.050 13.317 -10.707 1.00 0.00 C ATOM 645 C SER A 46 -1.107 13.709 -9.248 1.00 0.00 C ATOM 646 O SER A 46 -1.096 12.864 -8.374 1.00 0.00 O ATOM 647 CB SER A 46 -2.260 13.917 -11.418 1.00 0.00 C ATOM 648 OG SER A 46 -2.074 15.319 -11.295 1.00 0.00 O ATOM 0 H SER A 46 -2.020 11.476 -11.121 1.00 0.00 H new ATOM 0 HA SER A 46 -0.119 13.682 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.301 13.610 -12.463 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.194 13.597 -10.955 1.00 0.00 H new ATOM 0 HG SER A 46 -2.763 15.690 -10.705 1.00 0.00 H new ATOM 654 N GLY A 47 -1.163 14.977 -9.004 1.00 0.00 N ATOM 655 CA GLY A 47 -1.223 15.436 -7.594 1.00 0.00 C ATOM 656 C GLY A 47 -2.651 15.300 -7.066 1.00 0.00 C ATOM 657 O GLY A 47 -3.225 16.252 -6.574 1.00 0.00 O ATOM 0 H GLY A 47 -1.170 15.714 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.541 14.847 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.897 16.474 -7.526 1.00 0.00 H new ATOM 661 N GLN A 48 -3.204 14.111 -7.175 1.00 0.00 N ATOM 662 CA GLN A 48 -4.586 13.912 -6.684 1.00 0.00 C ATOM 663 C GLN A 48 -4.586 13.528 -5.212 1.00 0.00 C ATOM 664 O GLN A 48 -3.753 12.762 -4.770 1.00 0.00 O ATOM 665 CB GLN A 48 -5.226 12.775 -7.496 1.00 0.00 C ATOM 666 CG GLN A 48 -5.073 13.081 -8.993 1.00 0.00 C ATOM 667 CD GLN A 48 -6.447 13.043 -9.667 1.00 0.00 C ATOM 668 OE1 GLN A 48 -7.299 12.255 -9.318 1.00 0.00 O ATOM 669 NE2 GLN A 48 -6.701 13.876 -10.639 1.00 0.00 N ATOM 0 H GLN A 48 -2.756 13.288 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.146 14.840 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.748 11.825 -7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.280 12.676 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.617 14.061 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.408 12.353 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.989 14.542 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.611 13.861 -11.099 1.00 0.00 H new ATOM 678 N GLN A 49 -5.523 14.074 -4.476 1.00 0.00 N ATOM 679 CA GLN A 49 -5.594 13.753 -3.025 1.00 0.00 C ATOM 680 C GLN A 49 -7.038 13.583 -2.575 1.00 0.00 C ATOM 681 O GLN A 49 -7.806 14.526 -2.558 1.00 0.00 O ATOM 682 CB GLN A 49 -4.959 14.915 -2.242 1.00 0.00 C ATOM 683 CG GLN A 49 -5.712 16.212 -2.559 1.00 0.00 C ATOM 684 CD GLN A 49 -6.651 16.556 -1.398 1.00 0.00 C ATOM 685 OE1 GLN A 49 -6.970 15.624 -0.540 1.00 0.00 O flip ATOM 686 NE2 GLN A 49 -7.104 17.676 -1.263 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.234 14.722 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.063 12.819 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.997 14.711 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.907 15.017 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.004 17.025 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.283 16.097 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.859 18.409 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.729 17.883 -0.484 1.00 0.00 H new ATOM 695 N VAL A 50 -7.388 12.375 -2.224 1.00 0.00 N ATOM 696 CA VAL A 50 -8.770 12.123 -1.775 1.00 0.00 C ATOM 697 C VAL A 50 -9.024 12.776 -0.421 1.00 0.00 C ATOM 698 O VAL A 50 -8.123 12.903 0.385 1.00 0.00 O ATOM 699 CB VAL A 50 -8.961 10.612 -1.654 1.00 0.00 C ATOM 700 CG1 VAL A 50 -7.741 10.003 -0.959 1.00 0.00 C ATOM 701 CG2 VAL A 50 -10.213 10.324 -0.824 1.00 0.00 C ATOM 0 H VAL A 50 -6.774 11.561 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.471 12.546 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.073 10.176 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.873 8.925 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.846 10.212 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.633 10.438 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.351 9.246 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.098 10.757 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.083 10.763 -1.313 1.00 0.00 H new ATOM 711 N THR A 51 -10.255 13.179 -0.201 1.00 0.00 N ATOM 712 CA THR A 51 -10.609 13.832 1.093 1.00 0.00 C ATOM 713 C THR A 51 -11.784 13.128 1.752 1.00 0.00 C ATOM 714 O THR A 51 -11.662 12.598 2.839 1.00 0.00 O ATOM 715 CB THR A 51 -11.006 15.283 0.804 1.00 0.00 C ATOM 716 OG1 THR A 51 -12.261 15.205 0.160 1.00 0.00 O ATOM 717 CG2 THR A 51 -10.072 15.906 -0.246 1.00 0.00 C ATOM 0 H THR A 51 -11.025 13.082 -0.863 1.00 0.00 H new ATOM 0 HA THR A 51 -9.752 13.782 1.764 1.00 0.00 H new ATOM 0 HB THR A 51 -10.985 15.863 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.130 14.993 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.373 16.936 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.047 15.890 0.124 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.133 15.334 -1.172 1.00 0.00 H new ATOM 725 N GLN A 52 -12.903 13.137 1.080 1.00 0.00 N ATOM 726 CA GLN A 52 -14.106 12.473 1.646 1.00 0.00 C ATOM 727 C GLN A 52 -14.262 11.082 1.040 1.00 0.00 C ATOM 728 O GLN A 52 -14.301 10.939 -0.163 1.00 0.00 O ATOM 729 CB GLN A 52 -15.340 13.347 1.301 1.00 0.00 C ATOM 730 CG GLN A 52 -16.518 12.459 0.896 1.00 0.00 C ATOM 731 CD GLN A 52 -17.813 13.271 0.979 1.00 0.00 C ATOM 732 OE1 GLN A 52 -17.751 14.572 0.905 1.00 0.00 O flip ATOM 733 NE2 GLN A 52 -18.891 12.728 1.114 1.00 0.00 N flip ATOM 0 H GLN A 52 -13.034 13.574 0.168 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.011 12.367 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.614 13.958 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -15.095 14.031 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.374 12.084 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.577 11.591 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.946 11.711 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.741 13.289 1.169 1.00 0.00 H new ATOM 742 N ALA A 53 -14.351 10.081 1.891 1.00 0.00 N ATOM 743 CA ALA A 53 -14.503 8.688 1.373 1.00 0.00 C ATOM 744 C ALA A 53 -15.632 7.944 2.046 1.00 0.00 C ATOM 745 O ALA A 53 -16.073 8.301 3.121 1.00 0.00 O ATOM 746 CB ALA A 53 -13.207 7.926 1.663 1.00 0.00 C ATOM 0 H ALA A 53 -14.325 10.171 2.907 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.721 8.751 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.295 6.905 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.374 8.422 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.028 7.908 2.738 1.00 0.00 H new ATOM 752 N TRP A 54 -16.082 6.909 1.390 1.00 0.00 N ATOM 753 CA TRP A 54 -17.176 6.113 1.954 1.00 0.00 C ATOM 754 C TRP A 54 -17.090 4.673 1.469 1.00 0.00 C ATOM 755 O TRP A 54 -16.718 4.415 0.323 1.00 0.00 O ATOM 756 CB TRP A 54 -18.510 6.711 1.506 1.00 0.00 C ATOM 757 CG TRP A 54 -19.600 5.652 1.665 1.00 0.00 C ATOM 758 CD1 TRP A 54 -20.238 5.080 0.655 1.00 0.00 C ATOM 759 CD2 TRP A 54 -19.992 5.158 2.813 1.00 0.00 C ATOM 760 NE1 TRP A 54 -21.052 4.192 1.256 1.00 0.00 N ATOM 761 CE2 TRP A 54 -20.953 4.179 2.636 1.00 0.00 C ATOM 762 CE3 TRP A 54 -19.570 5.485 4.090 1.00 0.00 C ATOM 763 CZ2 TRP A 54 -21.486 3.528 3.730 1.00 0.00 C ATOM 764 CZ3 TRP A 54 -20.105 4.831 5.182 1.00 0.00 C ATOM 765 CH2 TRP A 54 -21.061 3.853 5.002 1.00 0.00 C ATOM 0 H TRP A 54 -15.730 6.590 0.487 1.00 0.00 H new ATOM 0 HA TRP A 54 -17.100 6.126 3.041 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -18.749 7.591 2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -18.448 7.037 0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -20.131 5.279 -0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -21.686 3.582 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -18.823 6.251 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -22.236 2.764 3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -19.775 5.085 6.178 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -21.477 3.341 5.857 1.00 0.00 H new ATOM 776 N SER A 55 -17.442 3.756 2.346 1.00 0.00 N ATOM 777 CA SER A 55 -17.392 2.326 1.976 1.00 0.00 C ATOM 778 C SER A 55 -16.004 1.976 1.476 1.00 0.00 C ATOM 779 O SER A 55 -15.836 1.124 0.630 1.00 0.00 O ATOM 780 CB SER A 55 -18.423 2.062 0.863 1.00 0.00 C ATOM 781 OG SER A 55 -17.719 2.315 -0.337 1.00 0.00 O ATOM 0 H SER A 55 -17.759 3.949 3.296 1.00 0.00 H new ATOM 0 HA SER A 55 -17.622 1.712 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.792 1.037 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.289 2.716 0.961 1.00 0.00 H new ATOM 0 HG SER A 55 -17.530 3.274 -0.409 1.00 0.00 H new ATOM 787 N SER A 56 -15.028 2.651 2.024 1.00 0.00 N ATOM 788 CA SER A 56 -13.642 2.394 1.615 1.00 0.00 C ATOM 789 C SER A 56 -12.697 3.163 2.505 1.00 0.00 C ATOM 790 O SER A 56 -12.667 4.376 2.488 1.00 0.00 O ATOM 791 CB SER A 56 -13.466 2.880 0.171 1.00 0.00 C ATOM 792 OG SER A 56 -12.158 3.430 0.130 1.00 0.00 O ATOM 0 H SER A 56 -15.145 3.369 2.739 1.00 0.00 H new ATOM 0 HA SER A 56 -13.426 1.328 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.572 2.059 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.217 3.626 -0.090 1.00 0.00 H new ATOM 0 HG SER A 56 -11.953 3.719 -0.784 1.00 0.00 H new ATOM 798 N THR A 57 -11.951 2.454 3.265 1.00 0.00 N ATOM 799 CA THR A 57 -11.007 3.119 4.158 1.00 0.00 C ATOM 800 C THR A 57 -9.751 3.536 3.390 1.00 0.00 C ATOM 801 O THR A 57 -8.717 2.904 3.486 1.00 0.00 O ATOM 802 CB THR A 57 -10.644 2.124 5.237 1.00 0.00 C ATOM 803 OG1 THR A 57 -11.878 1.586 5.670 1.00 0.00 O ATOM 804 CG2 THR A 57 -10.087 2.838 6.464 1.00 0.00 C ATOM 0 H THR A 57 -11.954 1.435 3.307 1.00 0.00 H new ATOM 0 HA THR A 57 -11.450 4.018 4.586 1.00 0.00 H new ATOM 0 HB THR A 57 -9.922 1.403 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.054 0.747 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.832 2.103 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.193 3.397 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.837 3.525 6.857 1.00 0.00 H new ATOM 812 N VAL A 58 -9.876 4.606 2.643 1.00 0.00 N ATOM 813 CA VAL A 58 -8.723 5.103 1.848 1.00 0.00 C ATOM 814 C VAL A 58 -7.644 5.729 2.720 1.00 0.00 C ATOM 815 O VAL A 58 -7.906 6.189 3.812 1.00 0.00 O ATOM 816 CB VAL A 58 -9.248 6.177 0.895 1.00 0.00 C ATOM 817 CG1 VAL A 58 -10.526 5.674 0.226 1.00 0.00 C ATOM 818 CG2 VAL A 58 -9.560 7.443 1.696 1.00 0.00 C ATOM 0 H VAL A 58 -10.731 5.154 2.553 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.278 4.258 1.323 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.499 6.397 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.905 6.436 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.310 4.763 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.277 5.463 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.935 8.215 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.315 7.220 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.652 7.797 2.185 1.00 0.00 H new ATOM 828 N THR A 59 -6.443 5.737 2.199 1.00 0.00 N ATOM 829 CA THR A 59 -5.308 6.321 2.953 1.00 0.00 C ATOM 830 C THR A 59 -4.207 6.767 1.990 1.00 0.00 C ATOM 831 O THR A 59 -3.649 5.960 1.270 1.00 0.00 O ATOM 832 CB THR A 59 -4.731 5.246 3.884 1.00 0.00 C ATOM 833 OG1 THR A 59 -4.379 4.171 3.038 1.00 0.00 O ATOM 834 CG2 THR A 59 -5.815 4.671 4.809 1.00 0.00 C ATOM 0 H THR A 59 -6.206 5.362 1.281 1.00 0.00 H new ATOM 0 HA THR A 59 -5.662 7.181 3.522 1.00 0.00 H new ATOM 0 HB THR A 59 -3.918 5.671 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.187 3.681 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.376 3.912 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.234 5.471 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.605 4.222 4.208 1.00 0.00 H new ATOM 842 N GLN A 60 -3.919 8.044 1.985 1.00 0.00 N ATOM 843 CA GLN A 60 -2.859 8.544 1.072 1.00 0.00 C ATOM 844 C GLN A 60 -1.484 8.303 1.672 1.00 0.00 C ATOM 845 O GLN A 60 -1.096 8.956 2.620 1.00 0.00 O ATOM 846 CB GLN A 60 -3.049 10.054 0.871 1.00 0.00 C ATOM 847 CG GLN A 60 -2.116 10.526 -0.249 1.00 0.00 C ATOM 848 CD GLN A 60 -2.434 11.981 -0.600 1.00 0.00 C ATOM 849 OE1 GLN A 60 -2.854 12.289 -1.698 1.00 0.00 O ATOM 850 NE2 GLN A 60 -2.245 12.906 0.301 1.00 0.00 N ATOM 0 H GLN A 60 -4.368 8.751 2.567 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.932 8.015 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.086 10.273 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.829 10.588 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.077 10.436 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.238 9.894 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.893 12.654 1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.450 13.881 0.082 1.00 0.00 H new ATOM 859 N SER A 61 -0.768 7.368 1.105 1.00 0.00 N ATOM 860 CA SER A 61 0.579 7.066 1.622 1.00 0.00 C ATOM 861 C SER A 61 1.660 7.768 0.803 1.00 0.00 C ATOM 862 O SER A 61 2.104 7.263 -0.208 1.00 0.00 O ATOM 863 CB SER A 61 0.781 5.555 1.520 1.00 0.00 C ATOM 864 OG SER A 61 0.270 5.222 0.240 1.00 0.00 O ATOM 0 H SER A 61 -1.066 6.806 0.307 1.00 0.00 H new ATOM 0 HA SER A 61 0.659 7.416 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.834 5.287 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.248 5.028 2.311 1.00 0.00 H new ATOM 0 HG SER A 61 0.364 4.258 0.091 1.00 0.00 H new ATOM 870 N GLY A 62 2.062 8.925 1.259 1.00 0.00 N ATOM 871 CA GLY A 62 3.118 9.686 0.523 1.00 0.00 C ATOM 872 C GLY A 62 2.804 9.753 -0.978 1.00 0.00 C ATOM 873 O GLY A 62 3.451 9.107 -1.777 1.00 0.00 O ATOM 0 H GLY A 62 1.709 9.375 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.192 10.695 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.087 9.210 0.674 1.00 0.00 H new ATOM 877 N SER A 63 1.821 10.542 -1.327 1.00 0.00 N ATOM 878 CA SER A 63 1.452 10.664 -2.764 1.00 0.00 C ATOM 879 C SER A 63 0.847 9.367 -3.283 1.00 0.00 C ATOM 880 O SER A 63 0.100 9.361 -4.254 1.00 0.00 O ATOM 881 CB SER A 63 2.726 10.969 -3.571 1.00 0.00 C ATOM 882 OG SER A 63 2.262 11.741 -4.670 1.00 0.00 O ATOM 0 H SER A 63 1.263 11.102 -0.683 1.00 0.00 H new ATOM 0 HA SER A 63 0.717 11.461 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.453 11.520 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.215 10.054 -3.905 1.00 0.00 H new ATOM 0 HG SER A 63 3.019 11.983 -5.243 1.00 0.00 H new ATOM 888 N ALA A 64 1.176 8.287 -2.639 1.00 0.00 N ATOM 889 CA ALA A 64 0.626 7.002 -3.088 1.00 0.00 C ATOM 890 C ALA A 64 -0.746 6.772 -2.481 1.00 0.00 C ATOM 891 O ALA A 64 -1.291 7.653 -1.844 1.00 0.00 O ATOM 892 CB ALA A 64 1.568 5.885 -2.649 1.00 0.00 C ATOM 0 H ALA A 64 1.796 8.246 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 64 0.530 7.011 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.171 4.924 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.551 6.042 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.657 5.890 -1.563 1.00 0.00 H new ATOM 898 N VAL A 65 -1.286 5.592 -2.676 1.00 0.00 N ATOM 899 CA VAL A 65 -2.630 5.313 -2.107 1.00 0.00 C ATOM 900 C VAL A 65 -2.767 3.892 -1.585 1.00 0.00 C ATOM 901 O VAL A 65 -2.035 2.998 -1.963 1.00 0.00 O ATOM 902 CB VAL A 65 -3.657 5.507 -3.223 1.00 0.00 C ATOM 903 CG1 VAL A 65 -5.032 5.059 -2.729 1.00 0.00 C ATOM 904 CG2 VAL A 65 -3.711 6.981 -3.602 1.00 0.00 C ATOM 0 H VAL A 65 -0.858 4.826 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.786 5.990 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.372 4.915 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.766 5.196 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.993 4.006 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.319 5.654 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.442 7.126 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.001 7.570 -2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.729 7.304 -3.948 1.00 0.00 H new ATOM 914 N THR A 66 -3.721 3.729 -0.713 1.00 0.00 N ATOM 915 CA THR A 66 -3.985 2.404 -0.112 1.00 0.00 C ATOM 916 C THR A 66 -5.399 2.397 0.448 1.00 0.00 C ATOM 917 O THR A 66 -5.744 3.241 1.253 1.00 0.00 O ATOM 918 CB THR A 66 -2.984 2.170 1.025 1.00 0.00 C ATOM 919 OG1 THR A 66 -1.736 1.992 0.389 1.00 0.00 O ATOM 920 CG2 THR A 66 -3.255 0.831 1.723 1.00 0.00 C ATOM 0 H THR A 66 -4.337 4.475 -0.389 1.00 0.00 H new ATOM 0 HA THR A 66 -3.881 1.618 -0.860 1.00 0.00 H new ATOM 0 HB THR A 66 -3.037 2.991 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.709 1.110 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.532 0.687 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.263 0.834 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.162 0.019 1.001 1.00 0.00 H new ATOM 928 N VAL A 67 -6.197 1.447 0.013 1.00 0.00 N ATOM 929 CA VAL A 67 -7.602 1.378 0.514 1.00 0.00 C ATOM 930 C VAL A 67 -7.893 0.080 1.164 1.00 0.00 C ATOM 931 O VAL A 67 -7.344 -0.918 0.807 1.00 0.00 O ATOM 932 CB VAL A 67 -8.575 1.535 -0.683 1.00 0.00 C ATOM 933 CG1 VAL A 67 -9.912 2.079 -0.182 1.00 0.00 C ATOM 934 CG2 VAL A 67 -7.988 2.523 -1.694 1.00 0.00 C ATOM 0 H VAL A 67 -5.936 0.726 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.730 2.176 1.245 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.722 0.564 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.597 2.190 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.337 1.386 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.756 3.049 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.673 2.633 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.844 3.491 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.029 2.149 -2.053 1.00 0.00 H new ATOM 944 N ARG A 68 -8.757 0.140 2.138 1.00 0.00 N ATOM 945 CA ARG A 68 -9.151 -1.075 2.878 1.00 0.00 C ATOM 946 C ARG A 68 -10.671 -1.116 2.922 1.00 0.00 C ATOM 947 O ARG A 68 -11.294 -0.541 3.793 1.00 0.00 O ATOM 948 CB ARG A 68 -8.576 -1.016 4.318 1.00 0.00 C ATOM 949 CG ARG A 68 -7.353 -0.084 4.345 1.00 0.00 C ATOM 950 CD ARG A 68 -6.333 -0.611 5.353 1.00 0.00 C ATOM 951 NE ARG A 68 -6.820 -0.331 6.733 1.00 0.00 N ATOM 952 CZ ARG A 68 -5.987 0.131 7.625 1.00 0.00 C ATOM 953 NH1 ARG A 68 -5.110 -0.683 8.149 1.00 0.00 N ATOM 954 NH2 ARG A 68 -6.056 1.389 7.962 1.00 0.00 N ATOM 0 H ARG A 68 -9.211 0.998 2.453 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.763 -1.969 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.337 -0.655 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.292 -2.015 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.904 -0.027 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.659 0.927 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.188 -1.683 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.365 -0.135 5.192 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.796 -0.499 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.085 -1.661 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.450 -0.341 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.753 1.995 7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.413 1.767 8.658 1.00 0.00 H new ATOM 968 N ASN A 69 -11.244 -1.787 1.969 1.00 0.00 N ATOM 969 CA ASN A 69 -12.714 -1.874 1.930 1.00 0.00 C ATOM 970 C ASN A 69 -13.251 -2.752 3.038 1.00 0.00 C ATOM 971 O ASN A 69 -12.906 -3.927 3.147 1.00 0.00 O ATOM 972 CB ASN A 69 -13.131 -2.454 0.581 1.00 0.00 C ATOM 973 CG ASN A 69 -12.782 -3.923 0.550 1.00 0.00 C ATOM 974 OD1 ASN A 69 -11.694 -4.303 0.870 1.00 0.00 O ATOM 975 ND2 ASN A 69 -13.683 -4.781 0.188 1.00 0.00 N ATOM 0 H ASN A 69 -10.755 -2.276 1.219 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.124 -0.874 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.201 -2.318 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.623 -1.929 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.463 -5.777 0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.612 -4.460 -0.085 1.00 0.00 H new ATOM 982 N ALA A 70 -14.080 -2.149 3.851 1.00 0.00 N ATOM 983 CA ALA A 70 -14.688 -2.882 4.984 1.00 0.00 C ATOM 984 C ALA A 70 -15.257 -4.240 4.540 1.00 0.00 C ATOM 985 O ALA A 70 -15.343 -4.533 3.364 1.00 0.00 O ATOM 986 CB ALA A 70 -15.837 -2.026 5.529 1.00 0.00 C ATOM 0 H ALA A 70 -14.360 -1.171 3.771 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.923 -3.066 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.307 -2.540 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.447 -1.065 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.575 -1.864 4.743 1.00 0.00 H new ATOM 992 N PRO A 71 -15.645 -5.040 5.519 1.00 0.00 N ATOM 993 CA PRO A 71 -16.208 -6.368 5.264 1.00 0.00 C ATOM 994 C PRO A 71 -17.589 -6.312 4.596 1.00 0.00 C ATOM 995 O PRO A 71 -17.888 -7.107 3.730 1.00 0.00 O ATOM 996 CB PRO A 71 -16.358 -7.006 6.662 1.00 0.00 C ATOM 997 CG PRO A 71 -16.013 -5.909 7.714 1.00 0.00 C ATOM 998 CD PRO A 71 -15.519 -4.676 6.941 1.00 0.00 C ATOM 0 HA PRO A 71 -15.563 -6.926 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.374 -7.373 6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.691 -7.862 6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.889 -5.662 8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.246 -6.264 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.118 -3.796 7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.487 -4.437 7.197 1.00 0.00 H new ATOM 1006 N TRP A 72 -18.404 -5.375 5.006 1.00 0.00 N ATOM 1007 CA TRP A 72 -19.761 -5.276 4.394 1.00 0.00 C ATOM 1008 C TRP A 72 -19.684 -4.802 2.952 1.00 0.00 C ATOM 1009 O TRP A 72 -20.206 -5.440 2.060 1.00 0.00 O ATOM 1010 CB TRP A 72 -20.606 -4.273 5.204 1.00 0.00 C ATOM 1011 CG TRP A 72 -19.684 -3.282 5.926 1.00 0.00 C ATOM 1012 CD1 TRP A 72 -18.982 -3.582 7.008 1.00 0.00 C ATOM 1013 CD2 TRP A 72 -19.487 -2.030 5.562 1.00 0.00 C ATOM 1014 NE1 TRP A 72 -18.333 -2.440 7.294 1.00 0.00 N ATOM 1015 CE2 TRP A 72 -18.599 -1.403 6.421 1.00 0.00 C ATOM 1016 CE3 TRP A 72 -20.014 -1.320 4.493 1.00 0.00 C ATOM 1017 CZ2 TRP A 72 -18.240 -0.090 6.215 1.00 0.00 C ATOM 1018 CZ3 TRP A 72 -19.651 -0.002 4.292 1.00 0.00 C ATOM 1019 CH2 TRP A 72 -18.765 0.611 5.152 1.00 0.00 C ATOM 0 H TRP A 72 -18.193 -4.684 5.727 1.00 0.00 H new ATOM 0 HA TRP A 72 -20.216 -6.266 4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -21.284 -3.736 4.541 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -21.223 -4.805 5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -18.941 -4.523 7.536 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -17.699 -2.347 8.087 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -20.708 -1.798 3.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -17.546 0.391 6.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -20.062 0.549 3.459 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -18.483 1.641 4.992 1.00 0.00 H new ATOM 1030 N ASN A 73 -19.040 -3.695 2.743 1.00 0.00 N ATOM 1031 CA ASN A 73 -18.927 -3.178 1.366 1.00 0.00 C ATOM 1032 C ASN A 73 -17.902 -3.982 0.586 1.00 0.00 C ATOM 1033 O ASN A 73 -17.458 -3.573 -0.469 1.00 0.00 O ATOM 1034 CB ASN A 73 -18.475 -1.708 1.437 1.00 0.00 C ATOM 1035 CG ASN A 73 -16.945 -1.637 1.420 1.00 0.00 C ATOM 1036 OD1 ASN A 73 -16.288 -1.908 2.513 1.00 0.00 O flip ATOM 1037 ND2 ASN A 73 -16.337 -1.339 0.411 1.00 0.00 N flip ATOM 0 H ASN A 73 -18.590 -3.131 3.464 1.00 0.00 H new ATOM 0 HA ASN A 73 -19.891 -3.259 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -18.884 -1.151 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -18.860 -1.242 2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.846 -1.126 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.318 -1.302 0.422 1.00 0.00 H new ATOM 1044 N GLY A 74 -17.545 -5.116 1.123 1.00 0.00 N ATOM 1045 CA GLY A 74 -16.545 -5.967 0.427 1.00 0.00 C ATOM 1046 C GLY A 74 -16.840 -7.455 0.634 1.00 0.00 C ATOM 1047 O GLY A 74 -15.933 -8.249 0.721 1.00 0.00 O ATOM 0 H GLY A 74 -17.899 -5.486 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.549 -5.738 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.547 -5.737 0.799 1.00 0.00 H new ATOM 1051 N SER A 75 -18.102 -7.796 0.713 1.00 0.00 N ATOM 1052 CA SER A 75 -18.466 -9.226 0.912 1.00 0.00 C ATOM 1053 C SER A 75 -18.942 -9.846 -0.398 1.00 0.00 C ATOM 1054 O SER A 75 -20.052 -10.338 -0.483 1.00 0.00 O ATOM 1055 CB SER A 75 -19.608 -9.296 1.942 1.00 0.00 C ATOM 1056 OG SER A 75 -18.946 -9.224 3.197 1.00 0.00 O ATOM 0 H SER A 75 -18.888 -7.149 0.649 1.00 0.00 H new ATOM 0 HA SER A 75 -17.592 -9.775 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 75 -20.311 -8.473 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 75 -20.178 -10.220 1.844 1.00 0.00 H new ATOM 0 HG SER A 75 -18.291 -8.496 3.180 1.00 0.00 H new ATOM 1062 N ILE A 76 -18.083 -9.814 -1.398 1.00 0.00 N ATOM 1063 CA ILE A 76 -18.458 -10.393 -2.717 1.00 0.00 C ATOM 1064 C ILE A 76 -17.631 -11.664 -3.040 1.00 0.00 C ATOM 1065 O ILE A 76 -16.432 -11.686 -2.857 1.00 0.00 O ATOM 1066 CB ILE A 76 -18.191 -9.313 -3.796 1.00 0.00 C ATOM 1067 CG1 ILE A 76 -17.793 -9.953 -5.149 1.00 0.00 C ATOM 1068 CG2 ILE A 76 -17.074 -8.366 -3.306 1.00 0.00 C ATOM 1069 CD1 ILE A 76 -16.251 -10.036 -5.313 1.00 0.00 C ATOM 0 H ILE A 76 -17.147 -9.413 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 76 -19.508 -10.685 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 76 -19.110 -8.748 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -18.221 -10.953 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -18.215 -9.368 -5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.884 -7.605 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.385 -7.885 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.163 -8.938 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.011 -10.491 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.826 -9.033 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.832 -10.643 -4.510 1.00 0.00 H new ATOM 1081 N PRO A 77 -18.312 -12.734 -3.477 1.00 0.00 N ATOM 1082 CA PRO A 77 -17.629 -13.979 -3.815 1.00 0.00 C ATOM 1083 C PRO A 77 -16.797 -13.795 -5.082 1.00 0.00 C ATOM 1084 O PRO A 77 -17.080 -12.930 -5.877 1.00 0.00 O ATOM 1085 CB PRO A 77 -18.758 -14.993 -4.094 1.00 0.00 C ATOM 1086 CG PRO A 77 -20.102 -14.208 -4.064 1.00 0.00 C ATOM 1087 CD PRO A 77 -19.783 -12.780 -3.593 1.00 0.00 C ATOM 0 HA PRO A 77 -16.959 -14.302 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.614 -15.472 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -18.758 -15.784 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -20.561 -14.194 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -20.812 -14.686 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -20.146 -12.039 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -20.261 -12.564 -2.638 1.00 0.00 H new ATOM 1095 N ALA A 78 -15.790 -14.612 -5.245 1.00 0.00 N ATOM 1096 CA ALA A 78 -14.929 -14.499 -6.455 1.00 0.00 C ATOM 1097 C ALA A 78 -15.723 -14.244 -7.734 1.00 0.00 C ATOM 1098 O ALA A 78 -15.154 -13.886 -8.732 1.00 0.00 O ATOM 1099 CB ALA A 78 -14.187 -15.813 -6.627 1.00 0.00 C ATOM 0 H ALA A 78 -15.528 -15.351 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.261 -13.651 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -13.548 -15.757 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.574 -16.003 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.906 -16.623 -6.751 1.00 0.00 H new ATOM 1105 N GLY A 79 -17.009 -14.442 -7.683 1.00 0.00 N ATOM 1106 CA GLY A 79 -17.846 -14.214 -8.900 1.00 0.00 C ATOM 1107 C GLY A 79 -18.783 -13.043 -8.668 1.00 0.00 C ATOM 1108 O GLY A 79 -19.985 -13.212 -8.605 1.00 0.00 O ATOM 0 H GLY A 79 -17.519 -14.751 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.207 -14.015 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.421 -15.111 -9.131 1.00 0.00 H new ATOM 1112 N GLY A 80 -18.226 -11.868 -8.542 1.00 0.00 N ATOM 1113 CA GLY A 80 -19.109 -10.685 -8.312 1.00 0.00 C ATOM 1114 C GLY A 80 -18.311 -9.389 -8.346 1.00 0.00 C ATOM 1115 O GLY A 80 -17.202 -9.352 -8.849 1.00 0.00 O ATOM 0 H GLY A 80 -17.225 -11.677 -8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -19.888 -10.656 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -19.609 -10.783 -7.348 1.00 0.00 H new ATOM 1119 N THR A 81 -18.895 -8.342 -7.791 1.00 0.00 N ATOM 1120 CA THR A 81 -18.190 -7.038 -7.780 1.00 0.00 C ATOM 1121 C THR A 81 -18.354 -6.295 -6.468 1.00 0.00 C ATOM 1122 O THR A 81 -19.276 -6.530 -5.713 1.00 0.00 O ATOM 1123 CB THR A 81 -18.794 -6.148 -8.867 1.00 0.00 C ATOM 1124 OG1 THR A 81 -20.186 -6.387 -8.814 1.00 0.00 O ATOM 1125 CG2 THR A 81 -18.382 -6.612 -10.257 1.00 0.00 C ATOM 0 H THR A 81 -19.817 -8.347 -7.354 1.00 0.00 H new ATOM 0 HA THR A 81 -17.132 -7.246 -7.939 1.00 0.00 H new ATOM 0 HB THR A 81 -18.482 -5.116 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.638 -5.841 -9.491 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.828 -5.958 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.296 -6.577 -10.345 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.726 -7.634 -10.416 1.00 0.00 H new ATOM 1133 N ALA A 82 -17.430 -5.404 -6.238 1.00 0.00 N ATOM 1134 CA ALA A 82 -17.450 -4.587 -5.003 1.00 0.00 C ATOM 1135 C ALA A 82 -17.437 -3.133 -5.430 1.00 0.00 C ATOM 1136 O ALA A 82 -17.303 -2.857 -6.601 1.00 0.00 O ATOM 1137 CB ALA A 82 -16.187 -4.888 -4.178 1.00 0.00 C ATOM 0 H ALA A 82 -16.651 -5.208 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 82 -18.330 -4.808 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.196 -4.289 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.167 -5.946 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.302 -4.642 -4.765 1.00 0.00 H new ATOM 1143 N GLN A 83 -17.571 -2.217 -4.520 1.00 0.00 N ATOM 1144 CA GLN A 83 -17.553 -0.807 -4.980 1.00 0.00 C ATOM 1145 C GLN A 83 -17.451 0.186 -3.849 1.00 0.00 C ATOM 1146 O GLN A 83 -17.972 -0.022 -2.771 1.00 0.00 O ATOM 1147 CB GLN A 83 -18.865 -0.527 -5.743 1.00 0.00 C ATOM 1148 CG GLN A 83 -18.774 0.841 -6.431 1.00 0.00 C ATOM 1149 CD GLN A 83 -20.184 1.384 -6.672 1.00 0.00 C ATOM 1150 OE1 GLN A 83 -20.914 0.896 -7.511 1.00 0.00 O ATOM 1151 NE2 GLN A 83 -20.604 2.394 -5.958 1.00 0.00 N ATOM 0 H GLN A 83 -17.688 -2.371 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 83 -16.671 -0.684 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.041 -1.307 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.710 -0.544 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.206 1.535 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.241 0.750 -7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.995 2.808 -5.252 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.541 2.769 -6.106 1.00 0.00 H new ATOM 1160 N PHE A 84 -16.766 1.258 -4.127 1.00 0.00 N ATOM 1161 CA PHE A 84 -16.598 2.305 -3.109 1.00 0.00 C ATOM 1162 C PHE A 84 -16.344 3.630 -3.787 1.00 0.00 C ATOM 1163 O PHE A 84 -16.232 3.683 -4.996 1.00 0.00 O ATOM 1164 CB PHE A 84 -15.419 1.944 -2.209 1.00 0.00 C ATOM 1165 CG PHE A 84 -14.090 2.339 -2.878 1.00 0.00 C ATOM 1166 CD1 PHE A 84 -13.551 3.601 -2.683 1.00 0.00 C ATOM 1167 CD2 PHE A 84 -13.384 1.420 -3.641 1.00 0.00 C ATOM 1168 CE1 PHE A 84 -12.326 3.933 -3.235 1.00 0.00 C ATOM 1169 CE2 PHE A 84 -12.159 1.761 -4.193 1.00 0.00 C ATOM 1170 CZ PHE A 84 -11.635 3.016 -3.988 1.00 0.00 C ATOM 0 H PHE A 84 -16.316 1.446 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 84 -17.502 2.383 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.516 2.454 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.425 0.874 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.090 4.330 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.791 0.433 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.912 4.917 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.615 1.040 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.681 3.280 -4.419 1.00 0.00 H new ATOM 1180 N GLY A 85 -16.253 4.694 -3.030 1.00 0.00 N ATOM 1181 CA GLY A 85 -16.006 5.993 -3.718 1.00 0.00 C ATOM 1182 C GLY A 85 -15.587 7.093 -2.756 1.00 0.00 C ATOM 1183 O GLY A 85 -15.739 6.977 -1.556 1.00 0.00 O ATOM 0 H GLY A 85 -16.335 4.722 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.230 5.859 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.911 6.300 -4.243 1.00 0.00 H new ATOM 1187 N PHE A 86 -15.057 8.154 -3.324 1.00 0.00 N ATOM 1188 CA PHE A 86 -14.609 9.290 -2.482 1.00 0.00 C ATOM 1189 C PHE A 86 -14.562 10.595 -3.283 1.00 0.00 C ATOM 1190 O PHE A 86 -15.031 10.660 -4.403 1.00 0.00 O ATOM 1191 CB PHE A 86 -13.192 8.976 -1.973 1.00 0.00 C ATOM 1192 CG PHE A 86 -12.341 8.464 -3.136 1.00 0.00 C ATOM 1193 CD1 PHE A 86 -12.539 7.193 -3.642 1.00 0.00 C ATOM 1194 CD2 PHE A 86 -11.358 9.261 -3.695 1.00 0.00 C ATOM 1195 CE1 PHE A 86 -11.773 6.728 -4.686 1.00 0.00 C ATOM 1196 CE2 PHE A 86 -10.591 8.791 -4.740 1.00 0.00 C ATOM 1197 CZ PHE A 86 -10.801 7.523 -5.232 1.00 0.00 C ATOM 0 H PHE A 86 -14.920 8.273 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.313 9.418 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -12.741 9.870 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -13.235 8.228 -1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.302 6.559 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.191 10.256 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.939 5.734 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.825 9.418 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.199 7.155 -6.049 1.00 0.00 H new ATOM 1207 N ASN A 87 -13.990 11.608 -2.679 1.00 0.00 N ATOM 1208 CA ASN A 87 -13.886 12.930 -3.362 1.00 0.00 C ATOM 1209 C ASN A 87 -12.506 13.502 -3.170 1.00 0.00 C ATOM 1210 O ASN A 87 -12.116 13.820 -2.057 1.00 0.00 O ATOM 1211 CB ASN A 87 -14.905 13.888 -2.731 1.00 0.00 C ATOM 1212 CG ASN A 87 -16.317 13.342 -2.941 1.00 0.00 C ATOM 1213 OD1 ASN A 87 -16.628 12.179 -2.439 1.00 0.00 O flip ATOM 1214 ND2 ASN A 87 -17.150 13.969 -3.563 1.00 0.00 N flip ATOM 0 H ASN A 87 -13.591 11.574 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 87 -14.081 12.804 -4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -14.702 14.001 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.816 14.877 -3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -16.913 14.879 -3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.087 13.586 -3.690 1.00 0.00 H new ATOM 1221 N GLY A 88 -11.786 13.628 -4.264 1.00 0.00 N ATOM 1222 CA GLY A 88 -10.390 14.191 -4.171 1.00 0.00 C ATOM 1223 C GLY A 88 -10.183 15.394 -5.101 1.00 0.00 C ATOM 1224 O GLY A 88 -10.803 15.500 -6.138 1.00 0.00 O ATOM 0 H GLY A 88 -12.094 13.372 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.190 14.491 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.669 13.413 -4.422 1.00 0.00 H new ATOM 1228 N SER A 89 -9.307 16.286 -4.686 1.00 0.00 N ATOM 1229 CA SER A 89 -9.025 17.482 -5.504 1.00 0.00 C ATOM 1230 C SER A 89 -7.949 17.166 -6.528 1.00 0.00 C ATOM 1231 O SER A 89 -7.119 16.300 -6.309 1.00 0.00 O ATOM 1232 CB SER A 89 -8.518 18.599 -4.574 1.00 0.00 C ATOM 1233 OG SER A 89 -7.248 18.139 -4.137 1.00 0.00 O ATOM 0 H SER A 89 -8.783 16.224 -3.813 1.00 0.00 H new ATOM 0 HA SER A 89 -9.931 17.795 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.437 19.550 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.195 18.756 -3.734 1.00 0.00 H new ATOM 0 HG SER A 89 -6.919 17.451 -4.753 1.00 0.00 H new ATOM 1239 N HIS A 90 -7.984 17.867 -7.631 1.00 0.00 N ATOM 1240 CA HIS A 90 -6.966 17.621 -8.693 1.00 0.00 C ATOM 1241 C HIS A 90 -6.446 18.922 -9.278 1.00 0.00 C ATOM 1242 O HIS A 90 -7.102 19.943 -9.219 1.00 0.00 O ATOM 1243 CB HIS A 90 -7.639 16.844 -9.819 1.00 0.00 C ATOM 1244 CG HIS A 90 -8.691 17.744 -10.457 1.00 0.00 C ATOM 1245 ND1 HIS A 90 -8.444 18.735 -11.175 1.00 0.00 N ATOM 1246 CD2 HIS A 90 -10.062 17.690 -10.366 1.00 0.00 C ATOM 1247 CE1 HIS A 90 -9.507 19.314 -11.545 1.00 0.00 C ATOM 1248 NE2 HIS A 90 -10.597 18.712 -11.080 1.00 0.00 N ATOM 0 H HIS A 90 -8.668 18.594 -7.841 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.132 17.074 -8.253 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -6.902 16.535 -10.561 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.100 15.936 -9.431 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -7.505 19.039 -11.431 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.624 16.951 -9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.526 20.196 -12.167 1.00 0.00 H new ATOM 1256 N THR A 91 -5.271 18.858 -9.832 1.00 0.00 N ATOM 1257 CA THR A 91 -4.679 20.071 -10.432 1.00 0.00 C ATOM 1258 C THR A 91 -3.415 19.723 -11.207 1.00 0.00 C ATOM 1259 O THR A 91 -2.460 20.474 -11.206 1.00 0.00 O ATOM 1260 CB THR A 91 -4.322 21.046 -9.308 1.00 0.00 C ATOM 1261 OG1 THR A 91 -3.938 22.240 -9.958 1.00 0.00 O ATOM 1262 CG2 THR A 91 -3.059 20.587 -8.565 1.00 0.00 C ATOM 0 H THR A 91 -4.698 18.016 -9.893 1.00 0.00 H new ATOM 0 HA THR A 91 -5.398 20.519 -11.118 1.00 0.00 H new ATOM 0 HB THR A 91 -5.160 21.134 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.210 22.051 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.826 21.296 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.229 19.601 -8.132 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.224 20.537 -9.264 1.00 0.00 H new ATOM 1270 N GLY A 92 -3.425 18.584 -11.860 1.00 0.00 N ATOM 1271 CA GLY A 92 -2.215 18.187 -12.636 1.00 0.00 C ATOM 1272 C GLY A 92 -2.561 17.190 -13.755 1.00 0.00 C ATOM 1273 O GLY A 92 -3.278 17.512 -14.682 1.00 0.00 O ATOM 0 H GLY A 92 -4.204 17.926 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.753 19.074 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.482 17.741 -11.964 1.00 0.00 H new ATOM 1277 N THR A 93 -2.034 15.997 -13.635 1.00 0.00 N ATOM 1278 CA THR A 93 -2.299 14.955 -14.665 1.00 0.00 C ATOM 1279 C THR A 93 -3.588 14.174 -14.375 1.00 0.00 C ATOM 1280 O THR A 93 -4.492 14.673 -13.735 1.00 0.00 O ATOM 1281 CB THR A 93 -1.109 13.989 -14.646 1.00 0.00 C ATOM 1282 OG1 THR A 93 -0.382 14.321 -13.482 1.00 0.00 O ATOM 1283 CG2 THR A 93 -0.143 14.291 -15.795 1.00 0.00 C ATOM 0 H THR A 93 -1.432 15.703 -12.866 1.00 0.00 H new ATOM 0 HA THR A 93 -2.424 15.433 -15.637 1.00 0.00 H new ATOM 0 HB THR A 93 -1.466 12.961 -14.706 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.400 13.735 -13.406 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.693 13.593 -15.760 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.665 14.186 -16.746 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.231 15.310 -15.697 1.00 0.00 H new ATOM 1291 N ASN A 94 -3.638 12.952 -14.857 1.00 0.00 N ATOM 1292 CA ASN A 94 -4.847 12.117 -14.627 1.00 0.00 C ATOM 1293 C ASN A 94 -4.743 11.334 -13.316 1.00 0.00 C ATOM 1294 O ASN A 94 -3.763 11.443 -12.597 1.00 0.00 O ATOM 1295 CB ASN A 94 -4.972 11.118 -15.790 1.00 0.00 C ATOM 1296 CG ASN A 94 -3.697 11.159 -16.635 1.00 0.00 C ATOM 1297 OD1 ASN A 94 -2.541 11.017 -16.046 1.00 0.00 O flip ATOM 1298 ND2 ASN A 94 -3.741 11.318 -17.838 1.00 0.00 N flip ATOM 0 H ASN A 94 -2.895 12.506 -15.395 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.718 12.770 -14.568 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.133 10.112 -15.404 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -5.837 11.366 -16.405 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.641 11.430 -18.305 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -2.878 11.340 -18.381 1.00 0.00 H new ATOM 1305 N ALA A 95 -5.768 10.556 -13.037 1.00 0.00 N ATOM 1306 CA ALA A 95 -5.780 9.749 -11.790 1.00 0.00 C ATOM 1307 C ALA A 95 -5.653 8.247 -12.076 1.00 0.00 C ATOM 1308 O ALA A 95 -4.804 7.830 -12.835 1.00 0.00 O ATOM 1309 CB ALA A 95 -7.124 10.001 -11.086 1.00 0.00 C ATOM 0 H ALA A 95 -6.594 10.452 -13.627 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.931 10.044 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.166 9.422 -10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.219 11.062 -10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.941 9.699 -11.742 1.00 0.00 H new ATOM 1315 N ALA A 96 -6.528 7.482 -11.440 1.00 0.00 N ATOM 1316 CA ALA A 96 -6.552 5.982 -11.600 1.00 0.00 C ATOM 1317 C ALA A 96 -5.617 5.468 -12.721 1.00 0.00 C ATOM 1318 O ALA A 96 -5.894 5.656 -13.889 1.00 0.00 O ATOM 1319 CB ALA A 96 -7.992 5.597 -11.975 1.00 0.00 C ATOM 0 H ALA A 96 -7.239 7.845 -10.805 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.209 5.536 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.058 4.516 -12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.671 5.912 -11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.269 6.089 -12.907 1.00 0.00 H new ATOM 1325 N PRO A 97 -4.513 4.823 -12.337 1.00 0.00 N ATOM 1326 CA PRO A 97 -3.566 4.299 -13.316 1.00 0.00 C ATOM 1327 C PRO A 97 -4.173 3.174 -14.180 1.00 0.00 C ATOM 1328 O PRO A 97 -4.914 3.447 -15.102 1.00 0.00 O ATOM 1329 CB PRO A 97 -2.362 3.792 -12.476 1.00 0.00 C ATOM 1330 CG PRO A 97 -2.738 3.975 -10.974 1.00 0.00 C ATOM 1331 CD PRO A 97 -4.129 4.624 -10.927 1.00 0.00 C ATOM 0 HA PRO A 97 -3.272 5.065 -14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.153 2.745 -12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.460 4.354 -12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.745 3.014 -10.460 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.004 4.602 -10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.845 3.984 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.103 5.572 -10.389 1.00 0.00 H new ATOM 1339 N THR A 98 -3.858 1.940 -13.876 1.00 0.00 N ATOM 1340 CA THR A 98 -4.428 0.825 -14.696 1.00 0.00 C ATOM 1341 C THR A 98 -4.609 -0.457 -13.884 1.00 0.00 C ATOM 1342 O THR A 98 -5.728 -0.921 -13.685 1.00 0.00 O ATOM 1343 CB THR A 98 -3.461 0.537 -15.849 1.00 0.00 C ATOM 1344 OG1 THR A 98 -2.251 0.149 -15.232 1.00 0.00 O ATOM 1345 CG2 THR A 98 -3.112 1.825 -16.609 1.00 0.00 C ATOM 0 H THR A 98 -3.244 1.658 -13.112 1.00 0.00 H new ATOM 0 HA THR A 98 -5.410 1.135 -15.055 1.00 0.00 H new ATOM 0 HB THR A 98 -3.902 -0.195 -16.525 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.583 -0.053 -15.920 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.424 1.593 -17.422 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.022 2.264 -17.018 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.642 2.534 -15.927 1.00 0.00 H new ATOM 1353 N ALA A 99 -3.507 -1.029 -13.461 1.00 0.00 N ATOM 1354 CA ALA A 99 -3.589 -2.279 -12.664 1.00 0.00 C ATOM 1355 C ALA A 99 -3.197 -2.024 -11.236 1.00 0.00 C ATOM 1356 O ALA A 99 -2.033 -1.890 -10.913 1.00 0.00 O ATOM 1357 CB ALA A 99 -2.640 -3.333 -13.264 1.00 0.00 C ATOM 0 H ALA A 99 -2.564 -0.682 -13.635 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.617 -2.640 -12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.700 -4.251 -12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.930 -3.539 -14.294 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.618 -2.956 -13.244 1.00 0.00 H new ATOM 1363 N PHE A 100 -4.181 -1.962 -10.403 1.00 0.00 N ATOM 1364 CA PHE A 100 -3.914 -1.718 -8.988 1.00 0.00 C ATOM 1365 C PHE A 100 -3.353 -2.976 -8.362 1.00 0.00 C ATOM 1366 O PHE A 100 -3.023 -3.912 -9.073 1.00 0.00 O ATOM 1367 CB PHE A 100 -5.236 -1.320 -8.322 1.00 0.00 C ATOM 1368 CG PHE A 100 -5.750 -0.050 -9.011 1.00 0.00 C ATOM 1369 CD1 PHE A 100 -6.213 -0.092 -10.321 1.00 0.00 C ATOM 1370 CD2 PHE A 100 -5.698 1.166 -8.363 1.00 0.00 C ATOM 1371 CE1 PHE A 100 -6.605 1.065 -10.961 1.00 0.00 C ATOM 1372 CE2 PHE A 100 -6.093 2.319 -9.010 1.00 0.00 C ATOM 1373 CZ PHE A 100 -6.542 2.267 -10.303 1.00 0.00 C ATOM 0 H PHE A 100 -5.165 -2.072 -10.650 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.184 -0.919 -8.858 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.966 -2.125 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -5.088 -1.142 -7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -6.266 -1.037 -10.841 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.346 1.216 -7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -6.961 1.025 -11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.048 3.267 -8.494 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.847 3.173 -10.805 1.00 0.00 H new ATOM 1383 N SER A 101 -3.252 -2.999 -7.059 1.00 0.00 N ATOM 1384 CA SER A 101 -2.700 -4.220 -6.406 1.00 0.00 C ATOM 1385 C SER A 101 -3.486 -4.633 -5.176 1.00 0.00 C ATOM 1386 O SER A 101 -3.228 -4.154 -4.094 1.00 0.00 O ATOM 1387 CB SER A 101 -1.257 -3.913 -5.978 1.00 0.00 C ATOM 1388 OG SER A 101 -0.722 -3.176 -7.068 1.00 0.00 O ATOM 0 H SER A 101 -3.522 -2.242 -6.431 1.00 0.00 H new ATOM 0 HA SER A 101 -2.756 -5.040 -7.122 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.230 -3.335 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.691 -4.827 -5.799 1.00 0.00 H new ATOM 0 HG SER A 101 0.208 -2.935 -6.875 1.00 0.00 H new ATOM 1394 N LEU A 102 -4.438 -5.523 -5.366 1.00 0.00 N ATOM 1395 CA LEU A 102 -5.250 -5.985 -4.211 1.00 0.00 C ATOM 1396 C LEU A 102 -4.312 -6.456 -3.102 1.00 0.00 C ATOM 1397 O LEU A 102 -3.121 -6.526 -3.306 1.00 0.00 O ATOM 1398 CB LEU A 102 -6.104 -7.182 -4.670 1.00 0.00 C ATOM 1399 CG LEU A 102 -7.588 -6.803 -4.641 1.00 0.00 C ATOM 1400 CD1 LEU A 102 -8.397 -7.942 -5.254 1.00 0.00 C ATOM 1401 CD2 LEU A 102 -8.040 -6.595 -3.193 1.00 0.00 C ATOM 0 H LEU A 102 -4.679 -5.940 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.883 -5.176 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.815 -7.481 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.925 -8.038 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.742 -5.882 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.456 -7.685 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.077 -8.103 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.237 -8.853 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.096 -6.326 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.892 -7.516 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.454 -5.795 -2.740 1.00 0.00 H new ATOM 1413 N ASN A 103 -4.852 -6.777 -1.957 1.00 0.00 N ATOM 1414 CA ASN A 103 -3.975 -7.242 -0.852 1.00 0.00 C ATOM 1415 C ASN A 103 -2.957 -8.258 -1.365 1.00 0.00 C ATOM 1416 O ASN A 103 -3.214 -9.445 -1.382 1.00 0.00 O ATOM 1417 CB ASN A 103 -4.853 -7.915 0.214 1.00 0.00 C ATOM 1418 CG ASN A 103 -5.856 -8.846 -0.472 1.00 0.00 C ATOM 1419 OD1 ASN A 103 -6.952 -8.339 -0.968 1.00 0.00 O flip ATOM 1420 ND2 ASN A 103 -5.651 -10.039 -0.562 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.849 -6.737 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.440 -6.389 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.232 -8.479 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.380 -7.160 0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.796 -10.440 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.333 -10.640 -1.024 1.00 0.00 H new ATOM 1427 N GLY A 104 -1.813 -7.770 -1.772 1.00 0.00 N ATOM 1428 CA GLY A 104 -0.764 -8.692 -2.289 1.00 0.00 C ATOM 1429 C GLY A 104 -1.256 -9.408 -3.556 1.00 0.00 C ATOM 1430 O GLY A 104 -1.305 -10.623 -3.601 1.00 0.00 O ATOM 0 H GLY A 104 -1.563 -6.781 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.144 -8.132 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.508 -9.426 -1.525 1.00 0.00 H new ATOM 1434 N THR A 105 -1.611 -8.643 -4.562 1.00 0.00 N ATOM 1435 CA THR A 105 -2.097 -9.274 -5.819 1.00 0.00 C ATOM 1436 C THR A 105 -2.567 -8.200 -6.829 1.00 0.00 C ATOM 1437 O THR A 105 -3.195 -7.242 -6.454 1.00 0.00 O ATOM 1438 CB THR A 105 -3.288 -10.173 -5.449 1.00 0.00 C ATOM 1439 OG1 THR A 105 -2.787 -11.489 -5.502 1.00 0.00 O ATOM 1440 CG2 THR A 105 -4.381 -10.137 -6.528 1.00 0.00 C ATOM 0 H THR A 105 -1.584 -7.623 -4.563 1.00 0.00 H new ATOM 0 HA THR A 105 -1.292 -9.845 -6.282 1.00 0.00 H new ATOM 0 HB THR A 105 -3.697 -9.855 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.095 -11.603 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.206 -10.784 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.744 -9.116 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.969 -10.485 -7.475 1.00 0.00 H new ATOM 1448 N PRO A 106 -2.249 -8.397 -8.109 1.00 0.00 N ATOM 1449 CA PRO A 106 -2.644 -7.441 -9.157 1.00 0.00 C ATOM 1450 C PRO A 106 -4.164 -7.228 -9.221 1.00 0.00 C ATOM 1451 O PRO A 106 -4.928 -7.968 -8.636 1.00 0.00 O ATOM 1452 CB PRO A 106 -2.166 -8.086 -10.477 1.00 0.00 C ATOM 1453 CG PRO A 106 -1.475 -9.436 -10.116 1.00 0.00 C ATOM 1454 CD PRO A 106 -1.475 -9.556 -8.583 1.00 0.00 C ATOM 0 HA PRO A 106 -2.209 -6.461 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.008 -8.254 -11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.471 -7.426 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.008 -10.273 -10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.456 -9.462 -10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.930 -10.493 -8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.460 -9.541 -8.186 1.00 0.00 H new ATOM 1462 N CYS A 107 -4.560 -6.206 -9.942 1.00 0.00 N ATOM 1463 CA CYS A 107 -6.011 -5.898 -10.081 1.00 0.00 C ATOM 1464 C CYS A 107 -6.151 -4.916 -11.287 1.00 0.00 C ATOM 1465 O CYS A 107 -6.225 -3.713 -11.124 1.00 0.00 O ATOM 1466 CB CYS A 107 -6.458 -5.224 -8.743 1.00 0.00 C ATOM 1467 SG CYS A 107 -8.054 -5.690 -7.988 1.00 0.00 S ATOM 0 H CYS A 107 -3.935 -5.572 -10.440 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.628 -6.778 -10.263 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.679 -5.416 -8.005 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.479 -4.147 -8.911 1.00 0.00 H new ATOM 1472 N THR A 108 -6.169 -5.483 -12.483 1.00 0.00 N ATOM 1473 CA THR A 108 -6.289 -4.643 -13.740 1.00 0.00 C ATOM 1474 C THR A 108 -7.382 -3.579 -13.658 1.00 0.00 C ATOM 1475 O THR A 108 -8.153 -3.551 -12.736 1.00 0.00 O ATOM 1476 CB THR A 108 -6.628 -5.579 -14.914 1.00 0.00 C ATOM 1477 OG1 THR A 108 -7.915 -6.085 -14.636 1.00 0.00 O ATOM 1478 CG2 THR A 108 -5.714 -6.819 -14.919 1.00 0.00 C ATOM 0 H THR A 108 -6.106 -6.488 -12.645 1.00 0.00 H new ATOM 0 HA THR A 108 -5.338 -4.127 -13.873 1.00 0.00 H new ATOM 0 HB THR A 108 -6.531 -5.034 -15.853 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.840 -6.862 -14.043 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.977 -7.461 -15.759 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.675 -6.505 -15.014 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.843 -7.370 -13.987 1.00 0.00 H new ATOM 1486 N VAL A 109 -7.371 -2.662 -14.614 1.00 0.00 N ATOM 1487 CA VAL A 109 -8.410 -1.598 -14.608 1.00 0.00 C ATOM 1488 C VAL A 109 -9.781 -2.216 -14.875 1.00 0.00 C ATOM 1489 O VAL A 109 -9.974 -3.399 -14.709 1.00 0.00 O ATOM 1490 CB VAL A 109 -8.129 -0.570 -15.743 1.00 0.00 C ATOM 1491 CG1 VAL A 109 -7.917 0.811 -15.125 1.00 0.00 C ATOM 1492 CG2 VAL A 109 -6.888 -0.976 -16.538 1.00 0.00 C ATOM 0 H VAL A 109 -6.696 -2.615 -15.378 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.390 -1.106 -13.636 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.981 -0.546 -16.422 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.720 1.536 -15.914 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.812 1.106 -14.577 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.068 0.778 -14.442 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.707 -0.246 -17.327 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.026 -1.013 -15.873 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.046 -1.959 -16.982 1.00 0.00 H new ATOM 1502 N GLY A 110 -10.707 -1.397 -15.294 1.00 0.00 N ATOM 1503 CA GLY A 110 -12.071 -1.918 -15.578 1.00 0.00 C ATOM 1504 C GLY A 110 -12.839 -0.942 -16.474 1.00 0.00 C ATOM 1505 O GLY A 110 -14.039 -1.136 -16.582 1.00 0.00 O ATOM 1506 OXT GLY A 110 -12.181 -0.059 -17.000 1.00 0.00 O ATOM 0 H GLY A 110 -10.578 -0.397 -15.451 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.002 -2.891 -16.065 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.612 -2.067 -14.644 1.00 0.00 H new TER 1510 GLY A 110