USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0679 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 8 ASN : amide:sc= -4.43! C(o=-4.4!,f=-6.5!) USER MOD Single : A 14 GLN : amide:sc= -0.0929 K(o=-0.093,f=-1) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.81 K(o=-2.8,f=-4.1!) USER MOD Single : A 31 SER OG : rot -47:sc= 0.472 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 150:sc= -0.657 USER MOD Single : A 39 CYS SG : rot 61:sc= -4.45! USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -174:sc= -7.44! (180deg=-7.96!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 33:sc= 0.426 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 165:sc= -0.442 USER MOD Single : A 71 TYR OH : rot 100:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0445) USER MOD Single : A 87 TYR OH : rot 15:sc= -0.528 USER MOD Single : A 90 CYS SG : rot -128:sc= -0.828 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= 0.608 (180deg=-0.0379) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 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 -31.101 -15.429 1.243 1.00 0.00 N ATOM 2 CA GLY A 1 -29.614 -15.404 1.183 1.00 0.00 C ATOM 3 C GLY A 1 -29.063 -16.295 0.087 1.00 0.00 C ATOM 4 O GLY A 1 -29.464 -16.185 -1.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.428 -14.805 2.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.491 -15.100 0.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.425 -16.400 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.277 -14.380 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.209 -15.722 2.144 1.00 0.00 H new ATOM 10 N SER A 2 -28.142 -17.180 0.454 1.00 0.00 N ATOM 11 CA SER A 2 -27.535 -18.093 -0.506 1.00 0.00 C ATOM 12 C SER A 2 -26.812 -17.325 -1.607 1.00 0.00 C ATOM 13 O SER A 2 -27.418 -16.926 -2.601 1.00 0.00 O ATOM 14 CB SER A 2 -28.602 -19.004 -1.119 1.00 0.00 C ATOM 15 OG SER A 2 -28.719 -20.214 -0.393 1.00 0.00 O ATOM 0 H SER A 2 -27.800 -17.284 1.409 1.00 0.00 H new ATOM 0 HA SER A 2 -26.805 -18.705 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.562 -18.488 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.346 -19.222 -2.156 1.00 0.00 H new ATOM 0 HG SER A 2 -29.408 -20.777 -0.804 1.00 0.00 H new ATOM 21 N SER A 3 -25.512 -17.119 -1.421 1.00 0.00 N ATOM 22 CA SER A 3 -24.705 -16.398 -2.399 1.00 0.00 C ATOM 23 C SER A 3 -24.407 -17.274 -3.611 1.00 0.00 C ATOM 24 O SER A 3 -24.584 -18.491 -3.568 1.00 0.00 O ATOM 25 CB SER A 3 -23.397 -15.926 -1.761 1.00 0.00 C ATOM 26 OG SER A 3 -22.925 -16.865 -0.810 1.00 0.00 O ATOM 0 H SER A 3 -24.995 -17.441 -0.603 1.00 0.00 H new ATOM 0 HA SER A 3 -25.273 -15.530 -2.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.644 -15.778 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.552 -14.961 -1.278 1.00 0.00 H new ATOM 0 HG SER A 3 -22.087 -16.541 -0.418 1.00 0.00 H new ATOM 32 N GLY A 4 -23.955 -16.646 -4.691 1.00 0.00 N ATOM 33 CA GLY A 4 -23.640 -17.385 -5.901 1.00 0.00 C ATOM 34 C GLY A 4 -22.499 -18.363 -5.703 1.00 0.00 C ATOM 35 O GLY A 4 -21.849 -18.367 -4.657 1.00 0.00 O ATOM 0 H GLY A 4 -23.801 -15.639 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.526 -17.927 -6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.380 -16.684 -6.694 1.00 0.00 H new ATOM 39 N SER A 5 -22.253 -19.193 -6.711 1.00 0.00 N ATOM 40 CA SER A 5 -21.182 -20.181 -6.644 1.00 0.00 C ATOM 41 C SER A 5 -20.080 -19.858 -7.648 1.00 0.00 C ATOM 42 O SER A 5 -20.027 -20.436 -8.733 1.00 0.00 O ATOM 43 CB SER A 5 -21.734 -21.582 -6.910 1.00 0.00 C ATOM 44 OG SER A 5 -22.058 -22.242 -5.698 1.00 0.00 O ATOM 0 H SER A 5 -22.780 -19.201 -7.584 1.00 0.00 H new ATOM 0 HA SER A 5 -20.756 -20.150 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.622 -21.513 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.998 -22.168 -7.461 1.00 0.00 H new ATOM 0 HG SER A 5 -22.410 -23.135 -5.896 1.00 0.00 H new ATOM 50 N SER A 6 -19.203 -18.929 -7.279 1.00 0.00 N ATOM 51 CA SER A 6 -18.103 -18.528 -8.148 1.00 0.00 C ATOM 52 C SER A 6 -17.040 -19.618 -8.217 1.00 0.00 C ATOM 53 O SER A 6 -16.836 -20.363 -7.258 1.00 0.00 O ATOM 54 CB SER A 6 -17.481 -17.223 -7.649 1.00 0.00 C ATOM 55 OG SER A 6 -17.244 -17.272 -6.253 1.00 0.00 O ATOM 0 H SER A 6 -19.233 -18.440 -6.384 1.00 0.00 H new ATOM 0 HA SER A 6 -18.503 -18.372 -9.150 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.544 -17.039 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.144 -16.389 -7.879 1.00 0.00 H new ATOM 0 HG SER A 6 -16.845 -16.427 -5.959 1.00 0.00 H new ATOM 61 N GLY A 7 -16.362 -19.707 -9.358 1.00 0.00 N ATOM 62 CA GLY A 7 -15.327 -20.709 -9.531 1.00 0.00 C ATOM 63 C GLY A 7 -14.058 -20.134 -10.126 1.00 0.00 C ATOM 64 O GLY A 7 -14.034 -19.741 -11.292 1.00 0.00 O ATOM 0 H GLY A 7 -16.512 -19.102 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.099 -21.162 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.700 -21.504 -10.177 1.00 0.00 H new ATOM 68 N ASN A 8 -13.000 -20.084 -9.323 1.00 0.00 N ATOM 69 CA ASN A 8 -11.720 -19.552 -9.778 1.00 0.00 C ATOM 70 C ASN A 8 -10.577 -20.492 -9.404 1.00 0.00 C ATOM 71 O ASN A 8 -9.463 -20.048 -9.123 1.00 0.00 O ATOM 72 CB ASN A 8 -11.478 -18.166 -9.176 1.00 0.00 C ATOM 73 CG ASN A 8 -10.956 -17.175 -10.197 1.00 0.00 C ATOM 74 OD1 ASN A 8 -10.828 -17.493 -11.379 1.00 0.00 O ATOM 75 ND2 ASN A 8 -10.652 -15.965 -9.745 1.00 0.00 N ATOM 0 H ASN A 8 -13.003 -20.405 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.754 -19.467 -10.864 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.409 -17.790 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.764 -18.249 -8.356 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.297 -15.256 -10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.774 -15.744 -8.757 1.00 0.00 H new ATOM 82 N GLU A 9 -10.862 -21.790 -9.402 1.00 0.00 N ATOM 83 CA GLU A 9 -9.858 -22.791 -9.062 1.00 0.00 C ATOM 84 C GLU A 9 -8.758 -22.839 -10.116 1.00 0.00 C ATOM 85 O GLU A 9 -7.601 -23.131 -9.810 1.00 0.00 O ATOM 86 CB GLU A 9 -10.507 -24.169 -8.923 1.00 0.00 C ATOM 87 CG GLU A 9 -11.252 -24.617 -10.170 1.00 0.00 C ATOM 88 CD GLU A 9 -11.480 -26.117 -10.205 1.00 0.00 C ATOM 89 OE1 GLU A 9 -11.865 -26.682 -9.159 1.00 0.00 O ATOM 90 OE2 GLU A 9 -11.276 -26.724 -11.276 1.00 0.00 O ATOM 0 H GLU A 9 -11.779 -22.173 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.411 -22.510 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.736 -24.903 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.200 -24.152 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.213 -24.106 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.688 -24.318 -11.053 1.00 0.00 H new ATOM 97 N GLU A 10 -9.124 -22.550 -11.361 1.00 0.00 N ATOM 98 CA GLU A 10 -8.167 -22.561 -12.461 1.00 0.00 C ATOM 99 C GLU A 10 -7.213 -21.375 -12.364 1.00 0.00 C ATOM 100 O GLU A 10 -6.028 -21.492 -12.672 1.00 0.00 O ATOM 101 CB GLU A 10 -8.902 -22.532 -13.804 1.00 0.00 C ATOM 102 CG GLU A 10 -9.552 -23.855 -14.169 1.00 0.00 C ATOM 103 CD GLU A 10 -10.833 -23.676 -14.959 1.00 0.00 C ATOM 104 OE1 GLU A 10 -11.895 -23.476 -14.331 1.00 0.00 O ATOM 105 OE2 GLU A 10 -10.777 -23.735 -16.206 1.00 0.00 O ATOM 0 H GLU A 10 -10.076 -22.305 -11.633 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.584 -23.479 -12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.668 -21.757 -13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.198 -22.254 -14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.850 -24.452 -14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.766 -24.414 -13.258 1.00 0.00 H new ATOM 112 N LEU A 11 -7.739 -20.233 -11.934 1.00 0.00 N ATOM 113 CA LEU A 11 -6.933 -19.025 -11.796 1.00 0.00 C ATOM 114 C LEU A 11 -5.833 -19.220 -10.759 1.00 0.00 C ATOM 115 O LEU A 11 -4.753 -18.639 -10.867 1.00 0.00 O ATOM 116 CB LEU A 11 -7.817 -17.840 -11.402 1.00 0.00 C ATOM 117 CG LEU A 11 -7.163 -16.466 -11.554 1.00 0.00 C ATOM 118 CD1 LEU A 11 -7.491 -15.866 -12.913 1.00 0.00 C ATOM 119 CD2 LEU A 11 -7.610 -15.534 -10.437 1.00 0.00 C ATOM 0 H LEU A 11 -8.719 -20.118 -11.675 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.466 -18.818 -12.759 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.722 -17.864 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.126 -17.966 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.082 -16.591 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.017 -14.889 -13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.120 -16.523 -13.700 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.571 -15.756 -13.011 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.134 -14.561 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.693 -15.415 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.324 -15.957 -9.474 1.00 0.00 H new ATOM 131 N ARG A 12 -6.114 -20.042 -9.752 1.00 0.00 N ATOM 132 CA ARG A 12 -5.147 -20.314 -8.695 1.00 0.00 C ATOM 133 C ARG A 12 -3.868 -20.916 -9.268 1.00 0.00 C ATOM 134 O ARG A 12 -2.773 -20.667 -8.766 1.00 0.00 O ATOM 135 CB ARG A 12 -5.752 -21.261 -7.655 1.00 0.00 C ATOM 136 CG ARG A 12 -6.331 -20.546 -6.445 1.00 0.00 C ATOM 137 CD ARG A 12 -5.389 -20.608 -5.252 1.00 0.00 C ATOM 138 NE ARG A 12 -4.790 -19.307 -4.960 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.465 -18.277 -4.457 1.00 0.00 C ATOM 140 NH1 ARG A 12 -6.761 -18.388 -4.194 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.843 -17.130 -4.219 1.00 0.00 N ATOM 0 H ARG A 12 -7.003 -20.531 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.896 -19.369 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.537 -21.852 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.984 -21.959 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.530 -19.505 -6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.287 -20.997 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.935 -20.961 -4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.601 -21.334 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.796 -19.182 -5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.245 -19.267 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.273 -17.595 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.848 -17.038 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.360 -16.340 -3.833 1.00 0.00 H new ATOM 155 N ALA A 13 -4.016 -21.710 -10.324 1.00 0.00 N ATOM 156 CA ALA A 13 -2.873 -22.348 -10.967 1.00 0.00 C ATOM 157 C ALA A 13 -1.953 -21.311 -11.601 1.00 0.00 C ATOM 158 O ALA A 13 -0.732 -21.469 -11.606 1.00 0.00 O ATOM 159 CB ALA A 13 -3.346 -23.346 -12.012 1.00 0.00 C ATOM 0 H ALA A 13 -4.916 -21.927 -10.752 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.306 -22.880 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.483 -23.815 -12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.958 -24.111 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.937 -22.829 -12.768 1.00 0.00 H new ATOM 165 N GLN A 14 -2.546 -20.248 -12.135 1.00 0.00 N ATOM 166 CA GLN A 14 -1.780 -19.184 -12.772 1.00 0.00 C ATOM 167 C GLN A 14 -1.158 -18.260 -11.729 1.00 0.00 C ATOM 168 O GLN A 14 -0.132 -17.628 -11.978 1.00 0.00 O ATOM 169 CB GLN A 14 -2.675 -18.379 -13.718 1.00 0.00 C ATOM 170 CG GLN A 14 -2.575 -18.821 -15.169 1.00 0.00 C ATOM 171 CD GLN A 14 -1.525 -18.046 -15.943 1.00 0.00 C ATOM 172 OE1 GLN A 14 -1.357 -16.843 -15.749 1.00 0.00 O ATOM 173 NE2 GLN A 14 -0.812 -18.737 -16.826 1.00 0.00 N ATOM 0 H GLN A 14 -3.555 -20.101 -12.139 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.976 -19.643 -13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.711 -18.468 -13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.408 -17.324 -13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.337 -19.884 -15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.544 -18.694 -15.651 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.986 -19.734 -16.954 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.091 -18.271 -17.376 1.00 0.00 H new ATOM 182 N GLN A 15 -1.787 -18.183 -10.559 1.00 0.00 N ATOM 183 CA GLN A 15 -1.293 -17.336 -9.480 1.00 0.00 C ATOM 184 C GLN A 15 -0.461 -18.143 -8.489 1.00 0.00 C ATOM 185 O GLN A 15 -0.495 -17.892 -7.285 1.00 0.00 O ATOM 186 CB GLN A 15 -2.462 -16.665 -8.755 1.00 0.00 C ATOM 187 CG GLN A 15 -3.346 -15.832 -9.668 1.00 0.00 C ATOM 188 CD GLN A 15 -3.848 -14.568 -8.997 1.00 0.00 C ATOM 189 OE1 GLN A 15 -3.534 -13.457 -9.423 1.00 0.00 O ATOM 190 NE2 GLN A 15 -4.634 -14.732 -7.939 1.00 0.00 N ATOM 0 H GLN A 15 -2.639 -18.697 -10.335 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.656 -16.568 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.070 -17.432 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -2.070 -16.028 -7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.787 -15.566 -10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.198 -16.432 -9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.869 -15.672 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.002 -13.918 -7.446 1.00 0.00 H new ATOM 199 N GLU A 16 0.288 -19.114 -9.004 1.00 0.00 N ATOM 200 CA GLU A 16 1.130 -19.957 -8.165 1.00 0.00 C ATOM 201 C GLU A 16 2.554 -20.016 -8.708 1.00 0.00 C ATOM 202 O GLU A 16 3.521 -19.892 -7.958 1.00 0.00 O ATOM 203 CB GLU A 16 0.545 -21.369 -8.074 1.00 0.00 C ATOM 204 CG GLU A 16 -0.357 -21.578 -6.870 1.00 0.00 C ATOM 205 CD GLU A 16 -0.393 -23.023 -6.411 1.00 0.00 C ATOM 206 OE1 GLU A 16 0.609 -23.738 -6.625 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.421 -23.439 -5.838 1.00 0.00 O ATOM 0 H GLU A 16 0.328 -19.336 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 16 1.160 -19.520 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.021 -21.578 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.362 -22.090 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.013 -20.949 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.368 -21.254 -7.118 1.00 0.00 H new ATOM 214 N ALA A 17 2.674 -20.209 -10.018 1.00 0.00 N ATOM 215 CA ALA A 17 3.980 -20.284 -10.663 1.00 0.00 C ATOM 216 C ALA A 17 4.207 -19.087 -11.581 1.00 0.00 C ATOM 217 O ALA A 17 5.312 -18.548 -11.651 1.00 0.00 O ATOM 218 CB ALA A 17 4.107 -21.583 -11.445 1.00 0.00 C ATOM 0 H ALA A 17 1.883 -20.316 -10.653 1.00 0.00 H new ATOM 0 HA ALA A 17 4.745 -20.264 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.086 -21.627 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.996 -22.429 -10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.330 -21.626 -12.208 1.00 0.00 H new ATOM 224 N GLU A 18 3.157 -18.678 -12.284 1.00 0.00 N ATOM 225 CA GLU A 18 3.242 -17.545 -13.198 1.00 0.00 C ATOM 226 C GLU A 18 3.216 -16.226 -12.431 1.00 0.00 C ATOM 227 O GLU A 18 4.036 -15.340 -12.672 1.00 0.00 O ATOM 228 CB GLU A 18 2.092 -17.589 -14.207 1.00 0.00 C ATOM 229 CG GLU A 18 2.539 -17.903 -15.625 1.00 0.00 C ATOM 230 CD GLU A 18 2.562 -16.675 -16.515 1.00 0.00 C ATOM 231 OE1 GLU A 18 2.932 -15.589 -16.019 1.00 0.00 O ATOM 232 OE2 GLU A 18 2.208 -16.797 -17.706 1.00 0.00 O ATOM 0 H GLU A 18 2.236 -19.114 -12.238 1.00 0.00 H new ATOM 0 HA GLU A 18 4.188 -17.612 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.369 -18.339 -13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.578 -16.628 -14.201 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.534 -18.346 -15.598 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.870 -18.647 -16.056 1.00 0.00 H new ATOM 239 N ALA A 19 2.268 -16.103 -11.508 1.00 0.00 N ATOM 240 CA ALA A 19 2.134 -14.893 -10.706 1.00 0.00 C ATOM 241 C ALA A 19 2.822 -15.050 -9.354 1.00 0.00 C ATOM 242 O ALA A 19 2.313 -14.594 -8.330 1.00 0.00 O ATOM 243 CB ALA A 19 0.665 -14.546 -10.516 1.00 0.00 C ATOM 0 H ALA A 19 1.581 -16.827 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 19 2.623 -14.078 -11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.580 -13.640 -9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.201 -14.381 -11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.160 -15.367 -10.008 1.00 0.00 H new ATOM 249 N ALA A 20 3.983 -15.698 -9.358 1.00 0.00 N ATOM 250 CA ALA A 20 4.741 -15.915 -8.132 1.00 0.00 C ATOM 251 C ALA A 20 6.225 -15.645 -8.350 1.00 0.00 C ATOM 252 O ALA A 20 6.865 -14.955 -7.556 1.00 0.00 O ATOM 253 CB ALA A 20 4.529 -17.334 -7.626 1.00 0.00 C ATOM 0 H ALA A 20 4.419 -16.082 -10.197 1.00 0.00 H new ATOM 0 HA ALA A 20 4.378 -15.215 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.101 -17.483 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.470 -17.493 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.864 -18.044 -8.382 1.00 0.00 H new ATOM 259 N GLN A 21 6.768 -16.193 -9.432 1.00 0.00 N ATOM 260 CA GLN A 21 8.178 -16.012 -9.757 1.00 0.00 C ATOM 261 C GLN A 21 8.372 -14.835 -10.709 1.00 0.00 C ATOM 262 O GLN A 21 9.433 -14.211 -10.731 1.00 0.00 O ATOM 263 CB GLN A 21 8.748 -17.289 -10.380 1.00 0.00 C ATOM 264 CG GLN A 21 9.398 -18.220 -9.370 1.00 0.00 C ATOM 265 CD GLN A 21 9.003 -19.670 -9.574 1.00 0.00 C ATOM 266 OE1 GLN A 21 8.926 -20.150 -10.704 1.00 0.00 O ATOM 267 NE2 GLN A 21 8.752 -20.374 -8.477 1.00 0.00 N ATOM 0 H GLN A 21 6.252 -16.767 -10.099 1.00 0.00 H new ATOM 0 HA GLN A 21 8.713 -15.798 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.947 -17.823 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.483 -17.017 -11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.482 -18.129 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.119 -17.910 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.829 -19.934 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.483 -21.355 -8.551 1.00 0.00 H new ATOM 276 N ARG A 22 7.343 -14.536 -11.495 1.00 0.00 N ATOM 277 CA ARG A 22 7.403 -13.434 -12.447 1.00 0.00 C ATOM 278 C ARG A 22 6.752 -12.180 -11.873 1.00 0.00 C ATOM 279 O ARG A 22 6.183 -11.372 -12.607 1.00 0.00 O ATOM 280 CB ARG A 22 6.715 -13.826 -13.756 1.00 0.00 C ATOM 281 CG ARG A 22 7.318 -15.056 -14.415 1.00 0.00 C ATOM 282 CD ARG A 22 8.438 -14.685 -15.375 1.00 0.00 C ATOM 283 NE ARG A 22 8.037 -14.841 -16.771 1.00 0.00 N ATOM 284 CZ ARG A 22 7.919 -16.018 -17.381 1.00 0.00 C ATOM 285 NH1 ARG A 22 8.170 -17.143 -16.722 1.00 0.00 N ATOM 286 NH2 ARG A 22 7.548 -16.071 -18.653 1.00 0.00 N ATOM 0 H ARG A 22 6.457 -15.042 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 22 8.452 -13.217 -12.646 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.658 -14.010 -13.561 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.770 -12.988 -14.451 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.703 -15.728 -13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.541 -15.599 -14.954 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.740 -13.653 -15.198 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.308 -15.310 -15.176 1.00 0.00 H new ATOM 0 HE ARG A 22 7.836 -13.999 -17.310 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.455 -17.108 -15.743 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.078 -18.042 -17.195 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.353 -15.210 -19.164 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.458 -16.973 -19.121 1.00 0.00 H new ATOM 300 N LEU A 23 6.841 -12.022 -10.556 1.00 0.00 N ATOM 301 CA LEU A 23 6.261 -10.866 -9.884 1.00 0.00 C ATOM 302 C LEU A 23 7.214 -10.317 -8.827 1.00 0.00 C ATOM 303 O LEU A 23 6.783 -9.770 -7.812 1.00 0.00 O ATOM 304 CB LEU A 23 4.926 -11.240 -9.238 1.00 0.00 C ATOM 305 CG LEU A 23 4.035 -10.056 -8.859 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.473 -9.390 -10.107 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.909 -10.508 -7.943 1.00 0.00 C ATOM 0 H LEU A 23 7.309 -12.680 -9.934 1.00 0.00 H new ATOM 0 HA LEU A 23 6.090 -10.092 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.376 -11.884 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.126 -11.826 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 23 4.642 -9.326 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.842 -8.550 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.293 -9.031 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.881 -10.112 -10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.285 -9.653 -7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.303 -11.257 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.330 -10.939 -7.034 1.00 0.00 H new ATOM 319 N SER A 24 8.512 -10.469 -9.071 1.00 0.00 N ATOM 320 CA SER A 24 9.526 -9.990 -8.140 1.00 0.00 C ATOM 321 C SER A 24 9.798 -8.503 -8.348 1.00 0.00 C ATOM 322 O SER A 24 10.128 -7.785 -7.405 1.00 0.00 O ATOM 323 CB SER A 24 10.822 -10.784 -8.312 1.00 0.00 C ATOM 324 OG SER A 24 10.990 -11.205 -9.655 1.00 0.00 O ATOM 0 H SER A 24 8.886 -10.920 -9.906 1.00 0.00 H new ATOM 0 HA SER A 24 9.150 -10.135 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.671 -10.170 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.809 -11.653 -7.654 1.00 0.00 H new ATOM 0 HG SER A 24 11.827 -11.709 -9.738 1.00 0.00 H new ATOM 330 N GLU A 25 9.654 -8.049 -9.589 1.00 0.00 N ATOM 331 CA GLU A 25 9.883 -6.647 -9.920 1.00 0.00 C ATOM 332 C GLU A 25 8.866 -5.752 -9.220 1.00 0.00 C ATOM 333 O GLU A 25 9.208 -4.678 -8.724 1.00 0.00 O ATOM 334 CB GLU A 25 9.806 -6.440 -11.434 1.00 0.00 C ATOM 335 CG GLU A 25 8.450 -6.780 -12.027 1.00 0.00 C ATOM 336 CD GLU A 25 8.497 -6.948 -13.533 1.00 0.00 C ATOM 337 OE1 GLU A 25 8.713 -5.938 -14.236 1.00 0.00 O ATOM 338 OE2 GLU A 25 8.319 -8.088 -14.009 1.00 0.00 O ATOM 0 H GLU A 25 9.380 -8.631 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 25 10.880 -6.374 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.043 -5.401 -11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.568 -7.054 -11.915 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.080 -7.700 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.740 -5.992 -11.775 1.00 0.00 H new ATOM 345 N GLU A 26 7.617 -6.203 -9.182 1.00 0.00 N ATOM 346 CA GLU A 26 6.550 -5.444 -8.541 1.00 0.00 C ATOM 347 C GLU A 26 6.687 -5.491 -7.023 1.00 0.00 C ATOM 348 O GLU A 26 6.322 -4.544 -6.327 1.00 0.00 O ATOM 349 CB GLU A 26 5.184 -5.991 -8.961 1.00 0.00 C ATOM 350 CG GLU A 26 4.558 -5.238 -10.124 1.00 0.00 C ATOM 351 CD GLU A 26 3.407 -5.996 -10.756 1.00 0.00 C ATOM 352 OE1 GLU A 26 3.658 -6.781 -11.696 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.256 -5.806 -10.313 1.00 0.00 O ATOM 0 H GLU A 26 7.319 -7.090 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 26 6.631 -4.406 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.291 -7.041 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.508 -5.951 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.202 -4.269 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.320 -5.045 -10.879 1.00 0.00 H new ATOM 360 N LYS A 27 7.217 -6.600 -6.516 1.00 0.00 N ATOM 361 CA LYS A 27 7.403 -6.771 -5.081 1.00 0.00 C ATOM 362 C LYS A 27 8.376 -5.732 -4.531 1.00 0.00 C ATOM 363 O LYS A 27 8.136 -5.138 -3.479 1.00 0.00 O ATOM 364 CB LYS A 27 7.917 -8.179 -4.776 1.00 0.00 C ATOM 365 CG LYS A 27 7.899 -8.526 -3.296 1.00 0.00 C ATOM 366 CD LYS A 27 7.500 -9.976 -3.067 1.00 0.00 C ATOM 367 CE LYS A 27 8.387 -10.642 -2.026 1.00 0.00 C ATOM 368 NZ LYS A 27 7.752 -10.656 -0.680 1.00 0.00 N ATOM 0 H LYS A 27 7.525 -7.393 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 27 6.437 -6.631 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.310 -8.904 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.936 -8.274 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.885 -8.347 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.202 -7.869 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.460 -10.021 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.565 -10.525 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.604 -11.664 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.340 -10.116 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.389 -11.118 -0.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.568 -9.680 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.855 -11.180 -0.725 1.00 0.00 H new ATOM 382 N ALA A 28 9.472 -5.516 -5.251 1.00 0.00 N ATOM 383 CA ALA A 28 10.479 -4.548 -4.836 1.00 0.00 C ATOM 384 C ALA A 28 9.879 -3.152 -4.714 1.00 0.00 C ATOM 385 O ALA A 28 9.912 -2.542 -3.645 1.00 0.00 O ATOM 386 CB ALA A 28 11.641 -4.541 -5.818 1.00 0.00 C ATOM 0 H ALA A 28 9.685 -5.998 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 28 10.849 -4.844 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.386 -3.813 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.094 -5.532 -5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.277 -4.273 -6.810 1.00 0.00 H new ATOM 392 N GLN A 29 9.330 -2.652 -5.816 1.00 0.00 N ATOM 393 CA GLN A 29 8.719 -1.327 -5.835 1.00 0.00 C ATOM 394 C GLN A 29 7.601 -1.229 -4.801 1.00 0.00 C ATOM 395 O GLN A 29 7.412 -0.187 -4.173 1.00 0.00 O ATOM 396 CB GLN A 29 8.171 -1.012 -7.226 1.00 0.00 C ATOM 397 CG GLN A 29 7.203 -2.060 -7.747 1.00 0.00 C ATOM 398 CD GLN A 29 6.998 -1.974 -9.246 1.00 0.00 C ATOM 399 OE1 GLN A 29 5.868 -1.873 -9.725 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.093 -2.013 -9.997 1.00 0.00 N ATOM 0 H GLN A 29 9.295 -3.144 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 29 9.489 -0.597 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.668 -0.045 -7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.004 -0.919 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.576 -3.052 -7.492 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.242 -1.942 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.010 -2.097 -9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.017 -1.959 -11.013 1.00 0.00 H new ATOM 409 N ALA A 30 6.863 -2.321 -4.630 1.00 0.00 N ATOM 410 CA ALA A 30 5.763 -2.359 -3.674 1.00 0.00 C ATOM 411 C ALA A 30 6.271 -2.192 -2.245 1.00 0.00 C ATOM 412 O ALA A 30 5.563 -1.674 -1.382 1.00 0.00 O ATOM 413 CB ALA A 30 4.989 -3.660 -3.813 1.00 0.00 C ATOM 0 H ALA A 30 7.007 -3.192 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 30 5.094 -1.526 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.171 -3.675 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.586 -3.737 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.655 -4.502 -3.623 1.00 0.00 H new ATOM 419 N SER A 31 7.500 -2.635 -2.004 1.00 0.00 N ATOM 420 CA SER A 31 8.101 -2.535 -0.678 1.00 0.00 C ATOM 421 C SER A 31 9.016 -1.317 -0.585 1.00 0.00 C ATOM 422 O SER A 31 10.005 -1.325 0.148 1.00 0.00 O ATOM 423 CB SER A 31 8.890 -3.805 -0.356 1.00 0.00 C ATOM 424 OG SER A 31 9.272 -3.836 1.008 1.00 0.00 O ATOM 0 H SER A 31 8.099 -3.066 -2.708 1.00 0.00 H new ATOM 0 HA SER A 31 7.298 -2.420 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.285 -4.681 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.778 -3.855 -0.987 1.00 0.00 H new ATOM 0 HG SER A 31 9.650 -2.968 1.262 1.00 0.00 H new ATOM 430 N ALA A 32 8.679 -0.270 -1.333 1.00 0.00 N ATOM 431 CA ALA A 32 9.470 0.954 -1.335 1.00 0.00 C ATOM 432 C ALA A 32 8.611 2.161 -0.970 1.00 0.00 C ATOM 433 O ALA A 32 9.026 3.016 -0.188 1.00 0.00 O ATOM 434 CB ALA A 32 10.120 1.160 -2.694 1.00 0.00 C ATOM 0 H ALA A 32 7.863 -0.246 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 32 10.252 0.854 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.708 2.078 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.772 0.315 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.347 1.235 -3.459 1.00 0.00 H new ATOM 440 N ILE A 33 7.413 2.222 -1.540 1.00 0.00 N ATOM 441 CA ILE A 33 6.495 3.323 -1.275 1.00 0.00 C ATOM 442 C ILE A 33 5.893 3.211 0.122 1.00 0.00 C ATOM 443 O ILE A 33 5.068 2.337 0.384 1.00 0.00 O ATOM 444 CB ILE A 33 5.355 3.369 -2.312 1.00 0.00 C ATOM 445 CG1 ILE A 33 5.919 3.280 -3.733 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.529 4.638 -2.137 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.250 2.222 -4.582 1.00 0.00 C ATOM 0 H ILE A 33 7.055 1.521 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 33 7.076 4.243 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 33 4.703 2.511 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.809 4.249 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.987 3.070 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.728 4.656 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.099 4.657 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.168 5.510 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.699 2.215 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.382 1.245 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.186 2.443 -4.667 1.00 0.00 H new ATOM 459 N SER A 34 6.311 4.103 1.014 1.00 0.00 N ATOM 460 CA SER A 34 5.812 4.104 2.385 1.00 0.00 C ATOM 461 C SER A 34 4.359 4.565 2.434 1.00 0.00 C ATOM 462 O SER A 34 3.791 4.970 1.420 1.00 0.00 O ATOM 463 CB SER A 34 6.676 5.009 3.264 1.00 0.00 C ATOM 464 OG SER A 34 7.860 4.345 3.672 1.00 0.00 O ATOM 0 H SER A 34 6.993 4.834 0.813 1.00 0.00 H new ATOM 0 HA SER A 34 5.864 3.084 2.765 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.934 5.915 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.108 5.318 4.141 1.00 0.00 H new ATOM 0 HG SER A 34 8.396 4.946 4.231 1.00 0.00 H new ATOM 470 N VAL A 35 3.763 4.500 3.620 1.00 0.00 N ATOM 471 CA VAL A 35 2.376 4.912 3.801 1.00 0.00 C ATOM 472 C VAL A 35 2.292 6.282 4.463 1.00 0.00 C ATOM 473 O VAL A 35 3.102 6.615 5.330 1.00 0.00 O ATOM 474 CB VAL A 35 1.595 3.894 4.654 1.00 0.00 C ATOM 475 CG1 VAL A 35 0.113 4.234 4.667 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.821 2.481 4.138 1.00 0.00 C ATOM 0 H VAL A 35 4.218 4.166 4.469 1.00 0.00 H new ATOM 0 HA VAL A 35 1.929 4.963 2.808 1.00 0.00 H new ATOM 0 HB VAL A 35 1.965 3.946 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.422 3.504 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.028 5.230 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.274 4.212 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.262 1.775 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.480 2.412 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.883 2.242 4.186 1.00 0.00 H new ATOM 486 N GLY A 36 1.308 7.074 4.051 1.00 0.00 N ATOM 487 CA GLY A 36 1.137 8.400 4.614 1.00 0.00 C ATOM 488 C GLY A 36 2.195 9.375 4.136 1.00 0.00 C ATOM 489 O GLY A 36 2.591 10.281 4.869 1.00 0.00 O ATOM 0 H GLY A 36 0.625 6.821 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.151 8.780 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.171 8.336 5.702 1.00 0.00 H new ATOM 493 N SER A 37 2.654 9.189 2.902 1.00 0.00 N ATOM 494 CA SER A 37 3.673 10.059 2.327 1.00 0.00 C ATOM 495 C SER A 37 3.226 10.599 0.972 1.00 0.00 C ATOM 496 O SER A 37 2.651 9.871 0.162 1.00 0.00 O ATOM 497 CB SER A 37 4.994 9.302 2.175 1.00 0.00 C ATOM 498 OG SER A 37 5.792 9.432 3.340 1.00 0.00 O ATOM 0 H SER A 37 2.336 8.444 2.282 1.00 0.00 H new ATOM 0 HA SER A 37 3.820 10.901 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.793 8.248 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.539 9.685 1.312 1.00 0.00 H new ATOM 0 HG SER A 37 6.345 8.630 3.449 1.00 0.00 H new ATOM 504 N ARG A 38 3.494 11.879 0.734 1.00 0.00 N ATOM 505 CA ARG A 38 3.118 12.516 -0.523 1.00 0.00 C ATOM 506 C ARG A 38 3.920 11.941 -1.686 1.00 0.00 C ATOM 507 O ARG A 38 5.151 11.969 -1.678 1.00 0.00 O ATOM 508 CB ARG A 38 3.336 14.028 -0.437 1.00 0.00 C ATOM 509 CG ARG A 38 2.133 14.787 0.097 1.00 0.00 C ATOM 510 CD ARG A 38 1.265 15.317 -1.032 1.00 0.00 C ATOM 511 NE ARG A 38 1.857 16.489 -1.673 1.00 0.00 N ATOM 512 CZ ARG A 38 1.799 17.720 -1.168 1.00 0.00 C ATOM 513 NH1 ARG A 38 1.178 17.943 -0.017 1.00 0.00 N ATOM 514 NH2 ARG A 38 2.365 18.729 -1.815 1.00 0.00 N ATOM 0 H ARG A 38 3.969 12.495 1.394 1.00 0.00 H new ATOM 0 HA ARG A 38 2.061 12.317 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.194 14.227 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.584 14.408 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.541 14.131 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.471 15.617 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.118 14.533 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.281 15.576 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 38 2.343 16.357 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.742 17.170 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.136 18.888 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.845 18.563 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.321 19.672 -1.428 1.00 0.00 H new ATOM 528 N CYS A 39 3.215 11.421 -2.685 1.00 0.00 N ATOM 529 CA CYS A 39 3.861 10.839 -3.855 1.00 0.00 C ATOM 530 C CYS A 39 3.106 11.201 -5.130 1.00 0.00 C ATOM 531 O CYS A 39 1.882 11.336 -5.120 1.00 0.00 O ATOM 532 CB CYS A 39 3.946 9.319 -3.713 1.00 0.00 C ATOM 533 SG CYS A 39 4.628 8.762 -2.133 1.00 0.00 S ATOM 0 H CYS A 39 2.196 11.391 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 39 4.869 11.247 -3.923 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.948 8.897 -3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.560 8.923 -4.522 1.00 0.00 H new ATOM 0 HG CYS A 39 3.872 9.182 -1.162 1.00 0.00 H new ATOM 539 N GLU A 40 3.843 11.357 -6.225 1.00 0.00 N ATOM 540 CA GLU A 40 3.242 11.702 -7.507 1.00 0.00 C ATOM 541 C GLU A 40 2.658 10.467 -8.185 1.00 0.00 C ATOM 542 O GLU A 40 3.165 9.357 -8.020 1.00 0.00 O ATOM 543 CB GLU A 40 4.281 12.358 -8.420 1.00 0.00 C ATOM 544 CG GLU A 40 4.242 13.877 -8.392 1.00 0.00 C ATOM 545 CD GLU A 40 5.078 14.503 -9.490 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.281 14.744 -9.257 1.00 0.00 O ATOM 547 OE2 GLU A 40 4.530 14.752 -10.584 1.00 0.00 O ATOM 0 H GLU A 40 4.857 11.250 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 40 2.433 12.408 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.275 12.023 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.120 12.017 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.209 14.212 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.599 14.228 -7.424 1.00 0.00 H new ATOM 554 N VAL A 41 1.588 10.666 -8.948 1.00 0.00 N ATOM 555 CA VAL A 41 0.934 9.570 -9.650 1.00 0.00 C ATOM 556 C VAL A 41 0.772 9.887 -11.133 1.00 0.00 C ATOM 557 O VAL A 41 0.347 10.983 -11.500 1.00 0.00 O ATOM 558 CB VAL A 41 -0.451 9.262 -9.049 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.044 8.013 -9.683 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.357 9.107 -7.537 1.00 0.00 C ATOM 0 H VAL A 41 1.156 11.578 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 41 1.574 8.695 -9.534 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.113 10.101 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.022 7.812 -9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.151 8.166 -10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.384 7.165 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.345 8.890 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.322 8.289 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.020 10.031 -7.099 1.00 0.00 H new ATOM 570 N ARG A 42 1.112 8.923 -11.981 1.00 0.00 N ATOM 571 CA ARG A 42 1.003 9.100 -13.424 1.00 0.00 C ATOM 572 C ARG A 42 -0.155 8.282 -13.987 1.00 0.00 C ATOM 573 O ARG A 42 -0.130 7.052 -13.961 1.00 0.00 O ATOM 574 CB ARG A 42 2.309 8.695 -14.110 1.00 0.00 C ATOM 575 CG ARG A 42 2.693 9.601 -15.269 1.00 0.00 C ATOM 576 CD ARG A 42 3.264 8.806 -16.433 1.00 0.00 C ATOM 577 NE ARG A 42 2.833 9.339 -17.723 1.00 0.00 N ATOM 578 CZ ARG A 42 3.213 10.520 -18.203 1.00 0.00 C ATOM 579 NH1 ARG A 42 4.033 11.295 -17.503 1.00 0.00 N ATOM 580 NH2 ARG A 42 2.774 10.928 -19.385 1.00 0.00 N ATOM 0 H ARG A 42 1.466 8.010 -11.694 1.00 0.00 H new ATOM 0 HA ARG A 42 0.809 10.154 -13.621 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.113 8.700 -13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.216 7.672 -14.474 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.817 10.158 -15.602 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.427 10.333 -14.932 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.353 8.818 -16.381 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.953 7.765 -16.348 1.00 0.00 H new ATOM 0 HE ARG A 42 2.203 8.771 -18.290 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.374 10.986 -16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.322 12.200 -17.875 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.144 10.336 -19.927 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.066 11.834 -19.753 1.00 0.00 H new ATOM 594 N ALA A 43 -1.170 8.975 -14.495 1.00 0.00 N ATOM 595 CA ALA A 43 -2.337 8.312 -15.063 1.00 0.00 C ATOM 596 C ALA A 43 -2.901 9.105 -16.239 1.00 0.00 C ATOM 597 O ALA A 43 -2.710 10.318 -16.330 1.00 0.00 O ATOM 598 CB ALA A 43 -3.404 8.117 -13.996 1.00 0.00 C ATOM 0 H ALA A 43 -1.207 9.994 -14.524 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.025 7.335 -15.433 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.270 7.621 -14.434 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.004 7.503 -13.189 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.704 9.087 -13.600 1.00 0.00 H new ATOM 604 N PRO A 44 -3.609 8.426 -17.160 1.00 0.00 N ATOM 605 CA PRO A 44 -4.203 9.072 -18.334 1.00 0.00 C ATOM 606 C PRO A 44 -5.458 9.873 -17.996 1.00 0.00 C ATOM 607 O PRO A 44 -6.040 10.523 -18.865 1.00 0.00 O ATOM 608 CB PRO A 44 -4.551 7.891 -19.238 1.00 0.00 C ATOM 609 CG PRO A 44 -4.807 6.764 -18.299 1.00 0.00 C ATOM 610 CD PRO A 44 -3.884 6.976 -17.128 1.00 0.00 C ATOM 0 HA PRO A 44 -3.526 9.796 -18.786 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.427 8.105 -19.850 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.734 7.660 -19.921 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.848 6.754 -17.977 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.613 5.805 -18.779 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.352 6.677 -16.190 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.969 6.392 -17.228 1.00 0.00 H new ATOM 618 N ASP A 45 -5.874 9.824 -16.732 1.00 0.00 N ATOM 619 CA ASP A 45 -7.062 10.547 -16.288 1.00 0.00 C ATOM 620 C ASP A 45 -6.966 12.030 -16.637 1.00 0.00 C ATOM 621 O ASP A 45 -7.895 12.605 -17.203 1.00 0.00 O ATOM 622 CB ASP A 45 -7.252 10.379 -14.780 1.00 0.00 C ATOM 623 CG ASP A 45 -8.075 9.154 -14.433 1.00 0.00 C ATOM 624 OD1 ASP A 45 -9.201 9.028 -14.958 1.00 0.00 O ATOM 625 OD2 ASP A 45 -7.593 8.321 -13.637 1.00 0.00 O ATOM 0 H ASP A 45 -5.406 9.292 -15.999 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.924 10.127 -16.807 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.276 10.305 -14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.740 11.267 -14.377 1.00 0.00 H new ATOM 630 N HIS A 46 -5.837 12.641 -16.298 1.00 0.00 N ATOM 631 CA HIS A 46 -5.621 14.057 -16.576 1.00 0.00 C ATOM 632 C HIS A 46 -4.131 14.375 -16.657 1.00 0.00 C ATOM 633 O HIS A 46 -3.596 14.619 -17.740 1.00 0.00 O ATOM 634 CB HIS A 46 -6.284 14.916 -15.496 1.00 0.00 C ATOM 635 CG HIS A 46 -7.158 16.000 -16.047 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.491 16.131 -15.721 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.881 17.009 -16.907 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.998 17.172 -16.357 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.042 17.722 -17.083 1.00 0.00 N ATOM 0 H HIS A 46 -5.057 12.179 -15.830 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.074 14.287 -17.541 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.880 14.274 -14.848 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.510 15.365 -14.874 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.926 17.215 -17.368 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.020 17.515 -16.294 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.148 18.543 -17.678 1.00 0.00 H new ATOM 648 N SER A 47 -3.467 14.372 -15.506 1.00 0.00 N ATOM 649 CA SER A 47 -2.039 14.661 -15.448 1.00 0.00 C ATOM 650 C SER A 47 -1.438 14.171 -14.135 1.00 0.00 C ATOM 651 O SER A 47 -2.136 13.600 -13.297 1.00 0.00 O ATOM 652 CB SER A 47 -1.794 16.163 -15.605 1.00 0.00 C ATOM 653 OG SER A 47 -2.668 16.912 -14.777 1.00 0.00 O ATOM 0 H SER A 47 -3.894 14.173 -14.602 1.00 0.00 H new ATOM 0 HA SER A 47 -1.553 14.133 -16.269 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.760 16.394 -15.351 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.938 16.451 -16.646 1.00 0.00 H new ATOM 0 HG SER A 47 -2.490 17.869 -14.894 1.00 0.00 H new ATOM 659 N LEU A 48 -0.139 14.396 -13.963 1.00 0.00 N ATOM 660 CA LEU A 48 0.554 13.976 -12.751 1.00 0.00 C ATOM 661 C LEU A 48 0.180 14.871 -11.573 1.00 0.00 C ATOM 662 O LEU A 48 0.490 16.061 -11.562 1.00 0.00 O ATOM 663 CB LEU A 48 2.070 14.004 -12.971 1.00 0.00 C ATOM 664 CG LEU A 48 2.715 12.635 -13.195 1.00 0.00 C ATOM 665 CD1 LEU A 48 3.937 12.762 -14.091 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.090 12.000 -11.865 1.00 0.00 C ATOM 0 H LEU A 48 0.454 14.866 -14.647 1.00 0.00 H new ATOM 0 HA LEU A 48 0.247 12.956 -12.519 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.286 14.636 -13.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.539 14.473 -12.106 1.00 0.00 H new ATOM 0 HG LEU A 48 1.991 11.989 -13.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.383 11.779 -14.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.640 13.175 -15.055 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.665 13.424 -13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.548 11.027 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.797 12.643 -11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.194 11.874 -11.257 1.00 0.00 H new ATOM 678 N ARG A 49 -0.490 14.288 -10.584 1.00 0.00 N ATOM 679 CA ARG A 49 -0.908 15.031 -9.401 1.00 0.00 C ATOM 680 C ARG A 49 -0.156 14.553 -8.163 1.00 0.00 C ATOM 681 O ARG A 49 0.579 13.567 -8.213 1.00 0.00 O ATOM 682 CB ARG A 49 -2.415 14.882 -9.186 1.00 0.00 C ATOM 683 CG ARG A 49 -3.243 15.246 -10.408 1.00 0.00 C ATOM 684 CD ARG A 49 -4.529 14.438 -10.470 1.00 0.00 C ATOM 685 NE ARG A 49 -4.309 13.100 -11.015 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.156 12.086 -10.855 1.00 0.00 C ATOM 687 NH1 ARG A 49 -6.281 12.253 -10.171 1.00 0.00 N ATOM 688 NH2 ARG A 49 -4.878 10.902 -11.383 1.00 0.00 N ATOM 0 H ARG A 49 -0.755 13.303 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.673 16.083 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.633 13.852 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.719 15.513 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.481 16.309 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.658 15.071 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.955 14.357 -9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.259 14.965 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.456 12.934 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.500 13.162 -9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.926 11.472 -10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.016 10.769 -11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.526 10.124 -11.261 1.00 0.00 H new ATOM 702 N ARG A 50 -0.345 15.259 -7.053 1.00 0.00 N ATOM 703 CA ARG A 50 0.315 14.909 -5.801 1.00 0.00 C ATOM 704 C ARG A 50 -0.663 14.240 -4.840 1.00 0.00 C ATOM 705 O ARG A 50 -1.522 14.899 -4.255 1.00 0.00 O ATOM 706 CB ARG A 50 0.915 16.155 -5.150 1.00 0.00 C ATOM 707 CG ARG A 50 2.052 16.772 -5.949 1.00 0.00 C ATOM 708 CD ARG A 50 3.407 16.414 -5.360 1.00 0.00 C ATOM 709 NE ARG A 50 4.404 17.452 -5.610 1.00 0.00 N ATOM 710 CZ ARG A 50 5.711 17.289 -5.413 1.00 0.00 C ATOM 711 NH1 ARG A 50 6.182 16.132 -4.966 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.549 18.285 -5.666 1.00 0.00 N ATOM 0 H ARG A 50 -0.951 16.078 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 50 1.116 14.205 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.130 16.899 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.280 15.896 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.001 16.427 -6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.938 17.856 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.306 16.260 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.750 15.471 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 50 4.080 18.355 -5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.542 15.362 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.184 16.013 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.193 19.176 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.550 18.160 -5.515 1.00 0.00 H new ATOM 726 N GLY A 51 -0.526 12.927 -4.682 1.00 0.00 N ATOM 727 CA GLY A 51 -1.404 12.192 -3.791 1.00 0.00 C ATOM 728 C GLY A 51 -0.687 11.693 -2.552 1.00 0.00 C ATOM 729 O GLY A 51 0.480 12.016 -2.329 1.00 0.00 O ATOM 0 H GLY A 51 0.177 12.360 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.234 12.833 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.832 11.344 -4.326 1.00 0.00 H new ATOM 733 N THR A 52 -1.387 10.902 -1.743 1.00 0.00 N ATOM 734 CA THR A 52 -0.810 10.358 -0.520 1.00 0.00 C ATOM 735 C THR A 52 -1.021 8.849 -0.445 1.00 0.00 C ATOM 736 O THR A 52 -2.108 8.349 -0.731 1.00 0.00 O ATOM 737 CB THR A 52 -1.430 11.032 0.705 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.943 12.309 0.368 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.451 11.217 1.846 1.00 0.00 C ATOM 0 H THR A 52 -2.354 10.624 -1.913 1.00 0.00 H new ATOM 0 HA THR A 52 0.261 10.558 -0.533 1.00 0.00 H new ATOM 0 HB THR A 52 -2.224 10.361 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.337 12.724 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.955 11.700 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.073 10.245 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.380 11.839 1.515 1.00 0.00 H new ATOM 747 N VAL A 53 0.027 8.129 -0.056 1.00 0.00 N ATOM 748 CA VAL A 53 -0.043 6.677 0.056 1.00 0.00 C ATOM 749 C VAL A 53 -1.020 6.257 1.149 1.00 0.00 C ATOM 750 O VAL A 53 -0.956 6.748 2.275 1.00 0.00 O ATOM 751 CB VAL A 53 1.340 6.069 0.360 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.289 4.552 0.270 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.390 6.633 -0.586 1.00 0.00 C ATOM 0 H VAL A 53 0.934 8.528 0.187 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.393 6.303 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 53 1.619 6.339 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.275 4.141 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.568 4.169 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.987 4.257 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.360 6.193 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.118 6.396 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.445 7.715 -0.465 1.00 0.00 H new ATOM 763 N MET A 54 -1.926 5.346 0.807 1.00 0.00 N ATOM 764 CA MET A 54 -2.917 4.859 1.760 1.00 0.00 C ATOM 765 C MET A 54 -2.787 3.353 1.961 1.00 0.00 C ATOM 766 O MET A 54 -2.852 2.860 3.088 1.00 0.00 O ATOM 767 CB MET A 54 -4.328 5.201 1.277 1.00 0.00 C ATOM 768 CG MET A 54 -4.751 6.626 1.592 1.00 0.00 C ATOM 769 SD MET A 54 -6.446 6.976 1.087 1.00 0.00 S ATOM 770 CE MET A 54 -6.436 6.351 -0.592 1.00 0.00 C ATOM 0 H MET A 54 -1.994 4.931 -0.122 1.00 0.00 H new ATOM 0 HA MET A 54 -2.737 5.350 2.716 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.382 5.045 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.037 4.511 1.735 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.652 6.802 2.663 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.076 7.320 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.383 6.592 -1.075 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.618 6.811 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.301 5.270 -0.577 1.00 0.00 H new ATOM 780 N TYR A 55 -2.604 2.627 0.863 1.00 0.00 N ATOM 781 CA TYR A 55 -2.464 1.176 0.922 1.00 0.00 C ATOM 782 C TYR A 55 -1.481 0.680 -0.134 1.00 0.00 C ATOM 783 O TYR A 55 -1.455 1.184 -1.257 1.00 0.00 O ATOM 784 CB TYR A 55 -3.824 0.504 0.724 1.00 0.00 C ATOM 785 CG TYR A 55 -3.855 -0.942 1.162 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.139 -1.284 2.479 1.00 0.00 C ATOM 787 CD2 TYR A 55 -3.601 -1.968 0.260 1.00 0.00 C ATOM 788 CE1 TYR A 55 -4.167 -2.604 2.884 1.00 0.00 C ATOM 789 CE2 TYR A 55 -3.628 -3.291 0.657 1.00 0.00 C ATOM 790 CZ TYR A 55 -3.912 -3.604 1.969 1.00 0.00 C ATOM 791 OH TYR A 55 -3.939 -4.921 2.368 1.00 0.00 O ATOM 0 H TYR A 55 -2.549 3.019 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.075 0.913 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.579 1.060 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.098 0.562 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.341 -0.504 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.379 -1.727 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.387 -2.852 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.428 -4.076 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.739 -5.499 1.602 1.00 0.00 H new ATOM 801 N VAL A 56 -0.674 -0.309 0.235 1.00 0.00 N ATOM 802 CA VAL A 56 0.310 -0.873 -0.680 1.00 0.00 C ATOM 803 C VAL A 56 0.414 -2.386 -0.511 1.00 0.00 C ATOM 804 O VAL A 56 1.068 -2.873 0.411 1.00 0.00 O ATOM 805 CB VAL A 56 1.702 -0.249 -0.465 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.663 -0.694 -1.556 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.604 1.269 -0.416 1.00 0.00 C ATOM 0 H VAL A 56 -0.682 -0.736 1.161 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.031 -0.644 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 56 2.092 -0.597 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.640 -0.243 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.757 -1.780 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.282 -0.379 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.597 1.693 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.192 1.638 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.953 1.565 0.406 1.00 0.00 H new ATOM 817 N GLY A 57 -0.235 -3.123 -1.406 1.00 0.00 N ATOM 818 CA GLY A 57 -0.202 -4.572 -1.338 1.00 0.00 C ATOM 819 C GLY A 57 -0.773 -5.225 -2.580 1.00 0.00 C ATOM 820 O GLY A 57 -0.458 -4.825 -3.701 1.00 0.00 O ATOM 0 H GLY A 57 -0.783 -2.743 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.827 -4.902 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.765 -4.904 -0.466 1.00 0.00 H new ATOM 824 N LEU A 58 -1.615 -6.234 -2.381 1.00 0.00 N ATOM 825 CA LEU A 58 -2.233 -6.945 -3.494 1.00 0.00 C ATOM 826 C LEU A 58 -3.750 -6.792 -3.463 1.00 0.00 C ATOM 827 O LEU A 58 -4.308 -6.223 -2.524 1.00 0.00 O ATOM 828 CB LEU A 58 -1.858 -8.428 -3.448 1.00 0.00 C ATOM 829 CG LEU A 58 -0.439 -8.752 -3.919 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.145 -9.897 -3.107 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.436 -9.092 -5.402 1.00 0.00 C ATOM 0 H LEU A 58 -1.885 -6.578 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.861 -6.510 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.975 -8.785 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.565 -8.985 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 58 0.185 -7.871 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.155 -10.113 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.178 -9.617 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.478 -10.783 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.581 -9.320 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.074 -9.958 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.813 -8.242 -5.971 1.00 0.00 H new ATOM 843 N THR A 59 -4.412 -7.301 -4.497 1.00 0.00 N ATOM 844 CA THR A 59 -5.866 -7.221 -4.587 1.00 0.00 C ATOM 845 C THR A 59 -6.452 -8.533 -5.096 1.00 0.00 C ATOM 846 O THR A 59 -5.728 -9.503 -5.317 1.00 0.00 O ATOM 847 CB THR A 59 -6.277 -6.073 -5.510 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.811 -6.298 -6.829 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.751 -4.726 -5.061 1.00 0.00 C ATOM 0 H THR A 59 -3.966 -7.773 -5.284 1.00 0.00 H new ATOM 0 HA THR A 59 -6.258 -7.033 -3.587 1.00 0.00 H new ATOM 0 HB THR A 59 -7.366 -6.050 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.814 -7.260 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.079 -3.956 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.133 -4.500 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.662 -4.751 -5.034 1.00 0.00 H new ATOM 857 N ASP A 60 -7.768 -8.557 -5.280 1.00 0.00 N ATOM 858 CA ASP A 60 -8.452 -9.750 -5.763 1.00 0.00 C ATOM 859 C ASP A 60 -9.051 -9.512 -7.146 1.00 0.00 C ATOM 860 O ASP A 60 -9.057 -10.406 -7.992 1.00 0.00 O ATOM 861 CB ASP A 60 -9.551 -10.166 -4.783 1.00 0.00 C ATOM 862 CG ASP A 60 -9.059 -11.165 -3.755 1.00 0.00 C ATOM 863 OD1 ASP A 60 -7.830 -11.255 -3.554 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.904 -11.859 -3.150 1.00 0.00 O ATOM 0 H ASP A 60 -8.382 -7.763 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.719 -10.553 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.933 -9.282 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.384 -10.599 -5.337 1.00 0.00 H new ATOM 869 N PHE A 61 -9.555 -8.303 -7.367 1.00 0.00 N ATOM 870 CA PHE A 61 -10.157 -7.950 -8.647 1.00 0.00 C ATOM 871 C PHE A 61 -9.103 -7.898 -9.749 1.00 0.00 C ATOM 872 O PHE A 61 -9.392 -8.186 -10.911 1.00 0.00 O ATOM 873 CB PHE A 61 -10.872 -6.601 -8.544 1.00 0.00 C ATOM 874 CG PHE A 61 -9.950 -5.452 -8.247 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.589 -5.155 -6.942 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.445 -4.670 -9.272 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.743 -4.100 -6.666 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.597 -3.613 -9.003 1.00 0.00 C ATOM 879 CZ PHE A 61 -8.245 -3.326 -7.697 1.00 0.00 C ATOM 0 H PHE A 61 -9.559 -7.552 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.885 -8.720 -8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.395 -6.404 -9.480 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.629 -6.660 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.974 -5.756 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.717 -4.889 -10.294 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.470 -3.879 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.209 -3.012 -9.812 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.583 -2.500 -7.483 1.00 0.00 H new ATOM 889 N LYS A 62 -7.882 -7.531 -9.376 1.00 0.00 N ATOM 890 CA LYS A 62 -6.785 -7.442 -10.334 1.00 0.00 C ATOM 891 C LYS A 62 -5.513 -8.068 -9.766 1.00 0.00 C ATOM 892 O LYS A 62 -5.252 -7.982 -8.566 1.00 0.00 O ATOM 893 CB LYS A 62 -6.525 -5.982 -10.710 1.00 0.00 C ATOM 894 CG LYS A 62 -7.457 -5.457 -11.791 1.00 0.00 C ATOM 895 CD LYS A 62 -6.685 -4.927 -12.988 1.00 0.00 C ATOM 896 CE LYS A 62 -7.566 -4.838 -14.224 1.00 0.00 C ATOM 897 NZ LYS A 62 -6.785 -5.035 -15.477 1.00 0.00 N ATOM 0 H LYS A 62 -7.627 -7.290 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.072 -7.995 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.629 -5.362 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.494 -5.881 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.126 -6.254 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.081 -4.664 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.282 -3.941 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.835 -5.578 -13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.353 -5.590 -14.164 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.057 -3.865 -14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.421 -4.967 -16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.050 -4.302 -15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.337 -5.974 -15.463 1.00 0.00 H new ATOM 911 N PRO A 63 -4.701 -8.711 -10.623 1.00 0.00 N ATOM 912 CA PRO A 63 -3.454 -9.352 -10.199 1.00 0.00 C ATOM 913 C PRO A 63 -2.343 -8.342 -9.930 1.00 0.00 C ATOM 914 O PRO A 63 -2.509 -7.145 -10.165 1.00 0.00 O ATOM 915 CB PRO A 63 -3.094 -10.236 -11.392 1.00 0.00 C ATOM 916 CG PRO A 63 -3.680 -9.534 -12.567 1.00 0.00 C ATOM 917 CD PRO A 63 -4.935 -8.865 -12.074 1.00 0.00 C ATOM 0 HA PRO A 63 -3.572 -9.898 -9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.014 -10.346 -11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.507 -11.239 -11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.981 -8.801 -12.971 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.903 -10.237 -13.369 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.093 -7.902 -12.559 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.818 -9.471 -12.275 1.00 0.00 H new ATOM 925 N GLY A 64 -1.210 -8.832 -9.437 1.00 0.00 N ATOM 926 CA GLY A 64 -0.088 -7.959 -9.146 1.00 0.00 C ATOM 927 C GLY A 64 -0.353 -7.047 -7.964 1.00 0.00 C ATOM 928 O GLY A 64 -1.473 -6.983 -7.459 1.00 0.00 O ATOM 0 H GLY A 64 -1.049 -9.819 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.796 -8.564 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.135 -7.354 -10.025 1.00 0.00 H new ATOM 932 N TYR A 65 0.683 -6.340 -7.523 1.00 0.00 N ATOM 933 CA TYR A 65 0.558 -5.425 -6.394 1.00 0.00 C ATOM 934 C TYR A 65 -0.109 -4.121 -6.821 1.00 0.00 C ATOM 935 O TYR A 65 0.085 -3.652 -7.942 1.00 0.00 O ATOM 936 CB TYR A 65 1.935 -5.135 -5.793 1.00 0.00 C ATOM 937 CG TYR A 65 2.534 -6.308 -5.050 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.272 -6.508 -3.700 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.362 -7.216 -5.699 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.817 -7.578 -3.019 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.912 -8.289 -5.024 1.00 0.00 C ATOM 942 CZ TYR A 65 3.637 -8.466 -3.684 1.00 0.00 C ATOM 943 OH TYR A 65 4.182 -9.532 -3.008 1.00 0.00 O ATOM 0 H TYR A 65 1.617 -6.383 -7.930 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.068 -5.901 -5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.615 -4.837 -6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.853 -4.288 -5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.631 -5.815 -3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.579 -7.081 -6.748 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.602 -7.719 -1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.554 -8.985 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 65 4.529 -10.185 -3.652 1.00 0.00 H new ATOM 953 N TRP A 66 -0.893 -3.541 -5.919 1.00 0.00 N ATOM 954 CA TRP A 66 -1.588 -2.290 -6.202 1.00 0.00 C ATOM 955 C TRP A 66 -1.371 -1.281 -5.080 1.00 0.00 C ATOM 956 O TRP A 66 -1.384 -1.636 -3.901 1.00 0.00 O ATOM 957 CB TRP A 66 -3.085 -2.546 -6.391 1.00 0.00 C ATOM 958 CG TRP A 66 -3.410 -3.256 -7.669 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.463 -4.605 -7.868 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.725 -2.652 -8.930 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.793 -4.878 -9.173 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.959 -3.695 -9.845 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.835 -1.331 -9.372 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.294 -3.458 -11.176 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.167 -1.097 -10.694 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.393 -2.155 -11.581 1.00 0.00 C ATOM 0 H TRP A 66 -1.063 -3.917 -4.986 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.178 -1.876 -7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.454 -3.136 -5.552 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.615 -1.594 -6.368 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.273 -5.350 -7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.897 -5.809 -9.576 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.664 -0.508 -8.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.469 -4.273 -11.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.253 -0.080 -11.048 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.651 -1.939 -12.607 1.00 0.00 H new ATOM 977 N VAL A 67 -1.171 -0.021 -5.454 1.00 0.00 N ATOM 978 CA VAL A 67 -0.952 1.039 -4.478 1.00 0.00 C ATOM 979 C VAL A 67 -2.079 2.067 -4.519 1.00 0.00 C ATOM 980 O VAL A 67 -2.334 2.680 -5.555 1.00 0.00 O ATOM 981 CB VAL A 67 0.390 1.757 -4.721 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.693 2.723 -3.585 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.513 0.745 -4.885 1.00 0.00 C ATOM 0 H VAL A 67 -1.156 0.290 -6.425 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.931 0.565 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 67 0.312 2.332 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.644 3.220 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.100 3.468 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.752 2.173 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.453 1.269 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.593 0.141 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.299 0.098 -5.736 1.00 0.00 H new ATOM 993 N GLY A 68 -2.748 2.249 -3.385 1.00 0.00 N ATOM 994 CA GLY A 68 -3.839 3.202 -3.314 1.00 0.00 C ATOM 995 C GLY A 68 -3.369 4.593 -2.935 1.00 0.00 C ATOM 996 O GLY A 68 -2.856 4.804 -1.836 1.00 0.00 O ATOM 0 H GLY A 68 -2.554 1.754 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.345 3.243 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.571 2.858 -2.584 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.543 5.544 -3.847 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.133 6.921 -3.604 1.00 0.00 C ATOM 1002 C VAL A 69 -4.329 7.867 -3.644 1.00 0.00 C ATOM 1003 O VAL A 69 -5.163 7.789 -4.545 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.090 7.389 -4.636 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.503 8.734 -4.233 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -0.993 6.347 -4.799 1.00 0.00 C ATOM 0 H VAL A 69 -3.966 5.385 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.686 6.945 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.589 7.511 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.768 9.047 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.299 9.476 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.020 8.643 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.266 6.696 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.496 6.189 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.430 5.409 -5.140 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.404 8.759 -2.662 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.497 9.720 -2.585 1.00 0.00 C ATOM 1018 C ARG A 70 -5.049 11.095 -3.073 1.00 0.00 C ATOM 1019 O ARG A 70 -3.911 11.505 -2.842 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.018 9.820 -1.149 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.173 10.795 -0.986 1.00 0.00 C ATOM 1022 CD ARG A 70 -6.874 11.847 0.070 1.00 0.00 C ATOM 1023 NE ARG A 70 -5.790 12.739 -0.338 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.097 13.499 0.506 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -5.370 13.480 1.805 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -4.127 14.281 0.052 1.00 0.00 N ATOM 0 H ARG A 70 -3.721 8.836 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.301 9.369 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.338 8.832 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.201 10.126 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.375 11.283 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.075 10.248 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.773 12.433 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.607 11.356 1.006 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.551 12.781 -1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.115 12.880 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.835 14.065 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.912 14.300 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.596 14.863 0.700 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.950 11.801 -3.747 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.648 13.130 -4.268 1.00 0.00 C ATOM 1042 C TYR A 71 -6.271 14.212 -3.394 1.00 0.00 C ATOM 1043 O TYR A 71 -7.081 13.923 -2.512 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.153 13.265 -5.705 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.717 12.134 -6.610 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.430 12.094 -7.134 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.593 11.107 -6.941 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -4.029 11.063 -7.961 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.198 10.072 -7.767 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.916 10.055 -8.274 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.519 9.026 -9.098 1.00 0.00 O ATOM 0 H TYR A 71 -6.896 11.475 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.566 13.259 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.242 13.312 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.797 14.208 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.732 12.882 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.598 11.118 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.026 11.047 -8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.890 9.280 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.288 8.243 -8.556 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.890 15.460 -3.644 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.413 16.587 -2.880 1.00 0.00 C ATOM 1063 C ASP A 72 -7.726 17.085 -3.475 1.00 0.00 C ATOM 1064 O ASP A 72 -8.610 17.549 -2.753 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.391 17.725 -2.846 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.054 17.285 -2.284 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -3.313 16.576 -2.998 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -3.747 17.648 -1.129 1.00 0.00 O ATOM 0 H ASP A 72 -5.221 15.717 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.602 16.247 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.248 18.112 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.783 18.544 -2.243 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.848 16.986 -4.794 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.054 17.426 -5.485 1.00 0.00 C ATOM 1075 C GLU A 73 -9.920 16.233 -5.883 1.00 0.00 C ATOM 1076 O GLU A 73 -9.427 15.111 -6.005 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.686 18.240 -6.728 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.170 19.635 -6.411 1.00 0.00 C ATOM 1079 CD GLU A 73 -6.726 19.631 -5.951 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -5.966 18.741 -6.387 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -6.355 20.517 -5.153 1.00 0.00 O ATOM 0 H GLU A 73 -7.126 16.605 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.625 18.055 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.926 17.700 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.563 18.323 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.264 20.263 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.793 20.082 -5.636 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.229 16.461 -6.089 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.164 15.398 -6.474 1.00 0.00 C ATOM 1090 C PRO A 74 -11.918 14.897 -7.893 1.00 0.00 C ATOM 1091 O PRO A 74 -12.578 15.329 -8.838 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.533 16.075 -6.376 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.253 17.525 -6.569 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.898 17.770 -5.965 1.00 0.00 C ATOM 0 HA PRO A 74 -12.063 14.517 -5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.216 15.699 -7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.999 15.887 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.261 17.786 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.013 18.137 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.355 18.551 -6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.973 18.087 -4.925 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.963 13.983 -8.034 1.00 0.00 N ATOM 1103 CA LEU A 75 -10.630 13.422 -9.339 1.00 0.00 C ATOM 1104 C LEU A 75 -10.123 11.989 -9.201 1.00 0.00 C ATOM 1105 O LEU A 75 -9.076 11.634 -9.742 1.00 0.00 O ATOM 1106 CB LEU A 75 -9.576 14.286 -10.034 1.00 0.00 C ATOM 1107 CG LEU A 75 -10.071 15.653 -10.511 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -8.923 16.462 -11.094 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -11.183 15.487 -11.535 1.00 0.00 C ATOM 0 H LEU A 75 -10.407 13.615 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.536 13.410 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.743 14.437 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.187 13.738 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.471 16.195 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.294 17.431 -11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.158 16.609 -10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.494 15.926 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.524 16.469 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.808 14.927 -12.392 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.015 14.946 -11.084 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.875 11.169 -8.473 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.486 9.785 -8.276 1.00 0.00 C ATOM 1123 C GLY A 76 -11.304 8.827 -9.121 1.00 0.00 C ATOM 1124 O GLY A 76 -11.904 9.226 -10.118 1.00 0.00 O ATOM 0 H GLY A 76 -11.746 11.439 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.430 9.669 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.600 9.525 -7.224 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.327 7.560 -8.720 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.077 6.543 -9.447 1.00 0.00 C ATOM 1130 C LYS A 77 -12.934 5.715 -8.497 1.00 0.00 C ATOM 1131 O LYS A 77 -14.129 5.526 -8.726 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.122 5.628 -10.217 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.524 6.278 -11.455 1.00 0.00 C ATOM 1134 CD LYS A 77 -10.418 5.291 -12.607 1.00 0.00 C ATOM 1135 CE LYS A 77 -9.040 4.649 -12.668 1.00 0.00 C ATOM 1136 NZ LYS A 77 -9.120 3.188 -12.942 1.00 0.00 N ATOM 0 H LYS A 77 -10.835 7.214 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.735 7.049 -10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.315 5.318 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.656 4.725 -10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.140 7.125 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.535 6.671 -11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.176 4.516 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.623 5.804 -13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.448 5.132 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.521 4.813 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.161 2.788 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.663 2.722 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.593 3.031 -13.855 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.317 5.221 -7.428 1.00 0.00 N ATOM 1151 CA ASN A 78 -13.024 4.412 -6.442 1.00 0.00 C ATOM 1152 C ASN A 78 -13.234 5.191 -5.148 1.00 0.00 C ATOM 1153 O ASN A 78 -12.805 6.339 -5.025 1.00 0.00 O ATOM 1154 CB ASN A 78 -12.247 3.126 -6.155 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.195 2.203 -7.357 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -13.060 1.345 -7.535 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.176 2.375 -8.191 1.00 0.00 N ATOM 0 H ASN A 78 -11.329 5.367 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.000 4.155 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.232 3.378 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.711 2.603 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.088 1.784 -9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.481 3.098 -8.005 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.898 4.560 -4.184 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.164 5.194 -2.898 1.00 0.00 C ATOM 1166 C ASP A 79 -13.313 4.570 -1.797 1.00 0.00 C ATOM 1167 O ASP A 79 -12.940 5.239 -0.833 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.647 5.072 -2.543 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.159 3.651 -2.679 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.176 3.132 -3.815 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.544 3.058 -1.649 1.00 0.00 O ATOM 0 H ASP A 79 -14.261 3.611 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.902 6.249 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.802 5.415 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.228 5.728 -3.191 1.00 0.00 H new ATOM 1176 N GLY A 80 -13.010 3.284 -1.947 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.205 2.594 -0.957 1.00 0.00 C ATOM 1178 C GLY A 80 -12.389 1.089 -1.007 1.00 0.00 C ATOM 1179 O GLY A 80 -11.488 0.334 -0.645 1.00 0.00 O ATOM 0 H GLY A 80 -13.307 2.709 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.154 2.834 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.467 2.956 0.037 1.00 0.00 H new ATOM 1183 N SER A 81 -13.561 0.653 -1.457 1.00 0.00 N ATOM 1184 CA SER A 81 -13.862 -0.771 -1.551 1.00 0.00 C ATOM 1185 C SER A 81 -13.997 -1.204 -3.008 1.00 0.00 C ATOM 1186 O SER A 81 -14.612 -0.510 -3.818 1.00 0.00 O ATOM 1187 CB SER A 81 -15.149 -1.095 -0.791 1.00 0.00 C ATOM 1188 OG SER A 81 -15.304 -2.493 -0.621 1.00 0.00 O ATOM 0 H SER A 81 -14.318 1.265 -1.762 1.00 0.00 H new ATOM 0 HA SER A 81 -13.035 -1.320 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.132 -0.607 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.006 -0.694 -1.333 1.00 0.00 H new ATOM 0 HG SER A 81 -16.133 -2.673 -0.131 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.418 -2.356 -3.334 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.474 -2.881 -4.693 1.00 0.00 C ATOM 1196 C VAL A 82 -13.896 -4.346 -4.696 1.00 0.00 C ATOM 1197 O VAL A 82 -13.180 -5.210 -4.189 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.115 -2.749 -5.405 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.249 -3.094 -6.880 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.552 -1.348 -5.227 1.00 0.00 C ATOM 0 H VAL A 82 -12.905 -2.943 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.214 -2.289 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.419 -3.455 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.279 -2.995 -7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.604 -4.120 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.961 -2.415 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.592 -1.274 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.245 -0.621 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.416 -1.143 -4.165 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.061 -4.619 -5.273 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.579 -5.981 -5.343 1.00 0.00 C ATOM 1212 C ASN A 83 -15.800 -6.549 -3.946 1.00 0.00 C ATOM 1213 O ASN A 83 -15.637 -7.747 -3.716 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.616 -6.876 -6.125 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.871 -6.831 -7.618 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.033 -5.627 -8.154 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.922 -7.866 -8.283 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.665 -3.916 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.538 -5.953 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.591 -6.565 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.712 -7.903 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.792 -8.770 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.094 -7.819 -9.287 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.173 -5.677 -3.015 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.411 -6.107 -1.650 1.00 0.00 C ATOM 1226 C GLY A 84 -15.130 -6.237 -0.849 1.00 0.00 C ATOM 1227 O GLY A 84 -15.041 -7.058 0.064 1.00 0.00 O ATOM 0 H GLY A 84 -16.315 -4.681 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.072 -5.394 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.928 -7.066 -1.660 1.00 0.00 H new ATOM 1231 N LYS A 85 -14.135 -5.425 -1.192 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.852 -5.454 -0.499 1.00 0.00 C ATOM 1233 C LYS A 85 -12.329 -4.039 -0.266 1.00 0.00 C ATOM 1234 O LYS A 85 -12.029 -3.313 -1.214 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.833 -6.264 -1.305 1.00 0.00 C ATOM 1236 CG LYS A 85 -11.052 -7.262 -0.466 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.666 -6.740 -0.123 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.858 -7.769 0.650 1.00 0.00 C ATOM 1239 NZ LYS A 85 -9.430 -8.024 2.000 1.00 0.00 N ATOM 0 H LYS A 85 -14.192 -4.739 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.999 -5.931 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.353 -6.798 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.134 -5.579 -1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.600 -7.473 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.963 -8.203 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.139 -6.476 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.755 -5.828 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.825 -8.702 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.830 -7.422 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.779 -8.625 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.564 -7.120 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.347 -8.505 1.903 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.220 -3.656 1.002 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.732 -2.328 1.360 1.00 0.00 C ATOM 1255 C ARG A 86 -10.210 -2.312 1.446 1.00 0.00 C ATOM 1256 O ARG A 86 -9.583 -3.333 1.731 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.333 -1.884 2.695 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.606 -0.390 2.771 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.461 0.130 4.191 1.00 0.00 C ATOM 1260 NE ARG A 86 -11.097 -0.018 4.694 1.00 0.00 N ATOM 1261 CZ ARG A 86 -10.772 0.044 5.983 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -11.707 0.251 6.902 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -9.507 -0.102 6.354 1.00 0.00 N ATOM 0 H ARG A 86 -12.463 -4.245 1.798 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.041 -1.633 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.265 -2.424 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.654 -2.163 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.916 0.141 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.613 -0.184 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.746 1.182 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.148 -0.407 4.845 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.350 -0.178 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.681 0.364 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.451 0.297 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.785 -0.262 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.256 -0.055 7.342 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.620 -1.148 1.197 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.171 -0.997 1.246 1.00 0.00 C ATOM 1279 C TYR A 87 -7.780 0.232 2.060 1.00 0.00 C ATOM 1280 O TYR A 87 -7.017 0.136 3.020 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.600 -0.890 -0.168 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.755 -2.155 -0.982 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.889 -2.372 -1.755 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.766 -3.131 -0.979 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.034 -3.527 -2.499 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.904 -4.288 -1.721 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.038 -4.482 -2.479 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.179 -5.632 -3.220 1.00 0.00 O ATOM 0 H TYR A 87 -10.124 -0.294 0.959 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.755 -1.880 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.094 -0.070 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.542 -0.636 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.670 -1.626 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.875 -2.983 -0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.922 -3.682 -3.093 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.126 -5.037 -1.707 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.902 -5.515 -3.871 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.309 1.387 1.668 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.016 2.637 2.361 1.00 0.00 C ATOM 1300 C PHE A 88 -9.290 3.253 2.929 1.00 0.00 C ATOM 1301 O PHE A 88 -10.364 2.657 2.860 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.337 3.625 1.410 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.195 4.019 0.242 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.043 5.112 0.327 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -8.152 3.298 -0.940 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.832 5.479 -0.747 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.940 3.659 -2.017 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.782 4.750 -1.919 1.00 0.00 C ATOM 0 H PHE A 88 -8.943 1.483 0.874 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.340 2.417 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.061 4.521 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.413 3.183 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.088 5.683 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.496 2.444 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.487 6.335 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.897 3.089 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.401 5.033 -2.758 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.161 4.450 3.492 1.00 0.00 N ATOM 1319 CA GLU A 89 -10.302 5.149 4.073 1.00 0.00 C ATOM 1320 C GLU A 89 -10.420 6.561 3.509 1.00 0.00 C ATOM 1321 O GLU A 89 -9.605 7.432 3.815 1.00 0.00 O ATOM 1322 CB GLU A 89 -10.171 5.205 5.596 1.00 0.00 C ATOM 1323 CG GLU A 89 -10.564 3.909 6.289 1.00 0.00 C ATOM 1324 CD GLU A 89 -9.582 3.506 7.371 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -9.087 4.402 8.087 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -9.309 2.295 7.504 1.00 0.00 O ATOM 0 H GLU A 89 -8.278 4.956 3.558 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.205 4.597 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.140 5.448 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.794 6.014 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.556 4.022 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.631 3.111 5.549 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.437 6.781 2.683 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.659 8.089 2.077 1.00 0.00 C ATOM 1335 C CYS A 90 -13.000 8.132 1.350 1.00 0.00 C ATOM 1336 O CYS A 90 -13.727 7.140 1.309 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.527 8.421 1.103 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.029 10.160 1.117 1.00 0.00 S ATOM 0 H CYS A 90 -12.120 6.071 2.418 1.00 0.00 H new ATOM 0 HA CYS A 90 -11.674 8.833 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.661 7.804 1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.839 8.151 0.094 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.038 10.624 -0.097 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.320 9.289 0.779 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.573 9.462 0.054 1.00 0.00 C ATOM 1346 C GLN A 91 -14.412 9.064 -1.410 1.00 0.00 C ATOM 1347 O GLN A 91 -13.311 8.747 -1.860 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.049 10.914 0.155 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.353 11.073 0.920 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.344 11.969 0.204 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.054 11.530 -0.701 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.397 13.233 0.606 1.00 0.00 N ATOM 0 H GLN A 91 -12.729 10.120 0.805 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.321 8.812 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.276 11.508 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.175 11.317 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.802 10.092 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.143 11.486 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.790 13.554 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.045 13.883 0.161 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.517 9.081 -2.148 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.500 8.723 -3.561 1.00 0.00 C ATOM 1363 C ALA A 92 -14.869 9.828 -4.400 1.00 0.00 C ATOM 1364 O ALA A 92 -14.903 11.001 -4.028 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.910 8.427 -4.047 1.00 0.00 C ATOM 0 H ALA A 92 -16.437 9.339 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.893 7.825 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.882 8.161 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.325 7.597 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.534 9.310 -3.911 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.294 9.446 -5.536 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.657 10.405 -6.431 1.00 0.00 C ATOM 1373 C LYS A 93 -12.504 11.119 -5.732 1.00 0.00 C ATOM 1374 O LYS A 93 -12.311 12.323 -5.901 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.681 11.427 -6.928 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.904 10.796 -7.576 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.198 11.369 -7.017 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.108 10.276 -6.479 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.181 9.917 -7.448 1.00 0.00 N ATOM 0 H LYS A 93 -14.256 8.479 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.256 9.858 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.002 12.045 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.201 12.091 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.870 10.959 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.885 9.718 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.969 12.077 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.718 11.924 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.515 9.391 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.560 10.608 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.779 9.169 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.763 10.755 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.751 9.576 -8.331 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.738 10.368 -4.946 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.604 10.930 -4.223 1.00 0.00 C ATOM 1395 C TYR A 94 -9.463 9.922 -4.129 1.00 0.00 C ATOM 1396 O TYR A 94 -8.307 10.252 -4.394 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.033 11.364 -2.820 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.875 12.619 -2.806 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.336 13.846 -3.172 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.211 12.577 -2.428 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.103 14.995 -3.161 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.986 13.722 -2.415 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.427 14.928 -2.783 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.194 16.070 -2.771 1.00 0.00 O ATOM 0 H TYR A 94 -11.883 9.370 -4.794 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.250 11.801 -4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.595 10.554 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.144 11.526 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.300 13.903 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.652 11.634 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.668 15.941 -3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.023 13.672 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 94 -15.104 15.850 -2.482 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.796 8.692 -3.751 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.787 7.656 -3.630 1.00 0.00 C ATOM 1416 C GLY A 95 -8.780 6.711 -4.816 1.00 0.00 C ATOM 1417 O GLY A 95 -9.709 5.923 -4.996 1.00 0.00 O ATOM 0 H GLY A 95 -10.745 8.394 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.805 8.119 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.963 7.087 -2.717 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.730 6.790 -5.627 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.606 5.936 -6.802 1.00 0.00 C ATOM 1423 C ALA A 96 -6.671 4.761 -6.529 1.00 0.00 C ATOM 1424 O ALA A 96 -6.124 4.631 -5.435 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.110 6.743 -7.991 1.00 0.00 C ATOM 0 H ALA A 96 -6.953 7.437 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.592 5.535 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.022 6.092 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.817 7.544 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.135 7.172 -7.759 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.493 3.909 -7.533 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.624 2.745 -7.401 1.00 0.00 C ATOM 1433 C PHE A 97 -4.643 2.663 -8.566 1.00 0.00 C ATOM 1434 O PHE A 97 -5.015 2.292 -9.680 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.458 1.464 -7.332 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.063 1.214 -5.980 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.279 1.247 -4.838 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.417 0.948 -5.851 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.834 1.019 -3.593 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.978 0.718 -4.609 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.185 0.753 -3.479 1.00 0.00 C ATOM 0 H PHE A 97 -6.938 4.002 -8.446 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.056 2.851 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.255 1.519 -8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.829 0.616 -7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.222 1.453 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.041 0.920 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.212 1.049 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.034 0.511 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.620 0.573 -2.507 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.388 3.011 -8.301 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.353 2.976 -9.328 1.00 0.00 C ATOM 1453 C VAL A 98 -1.267 1.964 -8.978 1.00 0.00 C ATOM 1454 O VAL A 98 -1.198 1.480 -7.848 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.704 4.360 -9.521 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.647 5.293 -10.262 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.300 4.952 -8.179 1.00 0.00 C ATOM 0 H VAL A 98 -3.063 3.320 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.840 2.679 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.804 4.238 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.171 6.266 -10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.880 4.873 -11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.567 5.411 -9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.843 5.929 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.183 5.060 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.584 4.291 -7.690 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.424 1.647 -9.954 1.00 0.00 N ATOM 1468 CA LYS A 99 0.658 0.690 -9.748 1.00 0.00 C ATOM 1469 C LYS A 99 1.920 1.392 -9.251 1.00 0.00 C ATOM 1470 O LYS A 99 2.175 2.544 -9.594 1.00 0.00 O ATOM 1471 CB LYS A 99 0.957 -0.061 -11.046 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.187 -0.947 -11.513 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.298 -2.206 -10.669 1.00 0.00 C ATOM 1474 CE LYS A 99 0.465 -3.364 -11.293 1.00 0.00 C ATOM 1475 NZ LYS A 99 -0.263 -4.654 -11.143 1.00 0.00 N ATOM 0 H LYS A 99 -0.468 2.038 -10.895 1.00 0.00 H new ATOM 0 HA LYS A 99 0.338 -0.023 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.189 0.661 -11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.847 -0.675 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.123 -0.391 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.034 -1.220 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.089 -2.010 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.347 -2.479 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.630 -3.161 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.447 -3.445 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.398 -5.391 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.024 -4.544 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.672 -4.930 -12.058 1.00 0.00 H new ATOM 1489 N PRO A 100 2.731 0.696 -8.429 1.00 0.00 N ATOM 1490 CA PRO A 100 3.970 1.257 -7.889 1.00 0.00 C ATOM 1491 C PRO A 100 4.782 1.945 -8.975 1.00 0.00 C ATOM 1492 O PRO A 100 5.164 3.108 -8.842 1.00 0.00 O ATOM 1493 CB PRO A 100 4.707 0.029 -7.357 1.00 0.00 C ATOM 1494 CG PRO A 100 3.625 -0.927 -6.991 1.00 0.00 C ATOM 1495 CD PRO A 100 2.503 -0.688 -7.967 1.00 0.00 C ATOM 0 HA PRO A 100 3.794 2.017 -7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.371 -0.393 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.324 0.279 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.979 -1.956 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.291 -0.763 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.534 -1.397 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.528 -0.796 -7.491 1.00 0.00 H new ATOM 1503 N SER A 101 5.018 1.221 -10.066 1.00 0.00 N ATOM 1504 CA SER A 101 5.755 1.766 -11.194 1.00 0.00 C ATOM 1505 C SER A 101 5.077 3.040 -11.681 1.00 0.00 C ATOM 1506 O SER A 101 5.713 3.908 -12.281 1.00 0.00 O ATOM 1507 CB SER A 101 5.835 0.744 -12.329 1.00 0.00 C ATOM 1508 OG SER A 101 6.960 0.984 -13.155 1.00 0.00 O ATOM 0 H SER A 101 4.708 0.257 -10.189 1.00 0.00 H new ATOM 0 HA SER A 101 6.770 1.999 -10.872 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.894 -0.262 -11.913 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.925 0.789 -12.927 1.00 0.00 H new ATOM 0 HG SER A 101 6.988 0.316 -13.871 1.00 0.00 H new ATOM 1514 N ALA A 102 3.779 3.152 -11.398 1.00 0.00 N ATOM 1515 CA ALA A 102 3.014 4.327 -11.786 1.00 0.00 C ATOM 1516 C ALA A 102 3.072 5.389 -10.690 1.00 0.00 C ATOM 1517 O ALA A 102 2.728 6.549 -10.920 1.00 0.00 O ATOM 1518 CB ALA A 102 1.571 3.946 -12.082 1.00 0.00 C ATOM 0 H ALA A 102 3.240 2.442 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 102 3.455 4.743 -12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.012 4.836 -12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.546 3.221 -12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.121 3.507 -11.192 1.00 0.00 H new ATOM 1524 N VAL A 103 3.512 4.986 -9.497 1.00 0.00 N ATOM 1525 CA VAL A 103 3.615 5.908 -8.372 1.00 0.00 C ATOM 1526 C VAL A 103 5.056 6.368 -8.173 1.00 0.00 C ATOM 1527 O VAL A 103 5.994 5.585 -8.324 1.00 0.00 O ATOM 1528 CB VAL A 103 3.108 5.261 -7.067 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.079 6.283 -5.941 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.732 4.646 -7.274 1.00 0.00 C ATOM 0 H VAL A 103 3.801 4.030 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 103 2.989 6.769 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 103 3.797 4.465 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.719 5.809 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.084 6.671 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.413 7.103 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.391 4.195 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.029 5.421 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.788 3.881 -8.049 1.00 0.00 H new ATOM 1540 N THR A 104 5.224 7.642 -7.835 1.00 0.00 N ATOM 1541 CA THR A 104 6.551 8.206 -7.616 1.00 0.00 C ATOM 1542 C THR A 104 6.639 8.881 -6.251 1.00 0.00 C ATOM 1543 O THR A 104 5.956 9.871 -5.992 1.00 0.00 O ATOM 1544 CB THR A 104 6.888 9.213 -8.717 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.535 8.701 -9.990 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.354 9.583 -8.761 1.00 0.00 C ATOM 0 H THR A 104 4.458 8.303 -7.707 1.00 0.00 H new ATOM 0 HA THR A 104 7.273 7.390 -7.645 1.00 0.00 H new ATOM 0 HB THR A 104 6.312 10.107 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.757 9.360 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.524 10.300 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.646 10.027 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.950 8.688 -8.941 1.00 0.00 H new ATOM 1554 N VAL A 105 7.485 8.338 -5.381 1.00 0.00 N ATOM 1555 CA VAL A 105 7.662 8.888 -4.044 1.00 0.00 C ATOM 1556 C VAL A 105 8.739 9.968 -4.032 1.00 0.00 C ATOM 1557 O VAL A 105 9.782 9.824 -4.670 1.00 0.00 O ATOM 1558 CB VAL A 105 8.042 7.792 -3.030 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.028 8.345 -1.614 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.103 6.602 -3.156 1.00 0.00 C ATOM 0 H VAL A 105 8.058 7.518 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 105 6.707 9.326 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 105 9.054 7.453 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.299 7.556 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.745 9.162 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.030 8.714 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.386 5.837 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.080 6.924 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.170 6.191 -4.163 1.00 0.00 H new ATOM 1570 N GLY A 106 8.479 11.049 -3.306 1.00 0.00 N ATOM 1571 CA GLY A 106 9.434 12.138 -3.225 1.00 0.00 C ATOM 1572 C GLY A 106 9.918 12.383 -1.810 1.00 0.00 C ATOM 1573 O GLY A 106 11.108 12.253 -1.522 1.00 0.00 O ATOM 0 H GLY A 106 7.622 11.191 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.288 11.916 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.975 13.048 -3.611 1.00 0.00 H new ATOM 1577 N ASP A 107 8.993 12.739 -0.924 1.00 0.00 N ATOM 1578 CA ASP A 107 9.331 13.003 0.470 1.00 0.00 C ATOM 1579 C ASP A 107 8.659 11.993 1.395 1.00 0.00 C ATOM 1580 O ASP A 107 7.456 11.753 1.297 1.00 0.00 O ATOM 1581 CB ASP A 107 8.915 14.423 0.858 1.00 0.00 C ATOM 1582 CG ASP A 107 9.911 15.085 1.789 1.00 0.00 C ATOM 1583 OD1 ASP A 107 9.892 14.774 2.998 1.00 0.00 O ATOM 1584 OD2 ASP A 107 10.712 15.914 1.308 1.00 0.00 O ATOM 0 H ASP A 107 8.004 12.851 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 107 10.411 12.906 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.809 15.026 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.937 14.393 1.339 1.00 0.00 H new ATOM 1589 N SER A 108 9.444 11.403 2.290 1.00 0.00 N ATOM 1590 CA SER A 108 8.924 10.419 3.232 1.00 0.00 C ATOM 1591 C SER A 108 8.763 11.027 4.621 1.00 0.00 C ATOM 1592 O SER A 108 9.382 12.042 4.941 1.00 0.00 O ATOM 1593 CB SER A 108 9.854 9.205 3.299 1.00 0.00 C ATOM 1594 OG SER A 108 9.674 8.362 2.174 1.00 0.00 O ATOM 0 H SER A 108 10.443 11.589 2.383 1.00 0.00 H new ATOM 0 HA SER A 108 7.944 10.099 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.891 9.539 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.659 8.644 4.213 1.00 0.00 H new ATOM 0 HG SER A 108 10.280 7.595 2.240 1.00 0.00 H new ATOM 1600 N GLY A 109 7.928 10.400 5.442 1.00 0.00 N ATOM 1601 CA GLY A 109 7.699 10.894 6.788 1.00 0.00 C ATOM 1602 C GLY A 109 6.278 11.383 6.993 1.00 0.00 C ATOM 1603 O GLY A 109 5.979 12.550 6.739 1.00 0.00 O ATOM 0 H GLY A 109 7.405 9.558 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.914 10.101 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.394 11.708 6.996 1.00 0.00 H new ATOM 1607 N PRO A 110 5.370 10.507 7.457 1.00 0.00 N ATOM 1608 CA PRO A 110 3.969 10.871 7.693 1.00 0.00 C ATOM 1609 C PRO A 110 3.810 11.829 8.869 1.00 0.00 C ATOM 1610 O PRO A 110 4.679 11.910 9.738 1.00 0.00 O ATOM 1611 CB PRO A 110 3.298 9.531 8.001 1.00 0.00 C ATOM 1612 CG PRO A 110 4.395 8.668 8.519 1.00 0.00 C ATOM 1613 CD PRO A 110 5.638 9.095 7.790 1.00 0.00 C ATOM 0 HA PRO A 110 3.535 11.392 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.504 9.646 8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 110 2.844 9.101 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 110 4.513 8.791 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 110 4.180 7.614 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.526 8.991 8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.805 8.496 6.895 1.00 0.00 H new ATOM 1621 N SER A 111 2.696 12.552 8.891 1.00 0.00 N ATOM 1622 CA SER A 111 2.422 13.504 9.962 1.00 0.00 C ATOM 1623 C SER A 111 1.075 13.216 10.614 1.00 0.00 C ATOM 1624 O SER A 111 0.953 13.223 11.840 1.00 0.00 O ATOM 1625 CB SER A 111 2.444 14.934 9.419 1.00 0.00 C ATOM 1626 OG SER A 111 2.483 15.880 10.473 1.00 0.00 O ATOM 0 H SER A 111 1.967 12.497 8.179 1.00 0.00 H new ATOM 0 HA SER A 111 3.201 13.397 10.717 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.312 15.068 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.561 15.106 8.804 1.00 0.00 H new ATOM 0 HG SER A 111 2.498 16.786 10.099 1.00 0.00 H new ATOM 1632 N SER A 112 0.065 12.964 9.789 1.00 0.00 N ATOM 1633 CA SER A 112 -1.275 12.673 10.286 1.00 0.00 C ATOM 1634 C SER A 112 -1.459 11.177 10.513 1.00 0.00 C ATOM 1635 O SER A 112 -1.923 10.751 11.571 1.00 0.00 O ATOM 1636 CB SER A 112 -2.329 13.185 9.301 1.00 0.00 C ATOM 1637 OG SER A 112 -3.634 13.049 9.836 1.00 0.00 O ATOM 0 H SER A 112 0.149 12.955 8.772 1.00 0.00 H new ATOM 0 HA SER A 112 -1.400 13.184 11.240 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.135 14.232 9.068 1.00 0.00 H new ATOM 0 HB3 SER A 112 -2.256 12.631 8.365 1.00 0.00 H new ATOM 0 HG SER A 112 -4.289 13.384 9.189 1.00 0.00 H new ATOM 1643 N GLY A 113 -1.091 10.382 9.513 1.00 0.00 N ATOM 1644 CA GLY A 113 -1.224 8.941 9.624 1.00 0.00 C ATOM 1645 C GLY A 113 -1.317 8.261 8.272 1.00 0.00 C ATOM 1646 O GLY A 113 -1.976 8.821 7.370 1.00 0.00 O ATOM 1647 OXT GLY A 113 -0.729 7.171 8.114 1.00 0.00 O ATOM 0 H GLY A 113 -0.703 10.710 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.369 8.541 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.114 8.705 10.208 1.00 0.00 H new TER 1651 GLY A 113