USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 42 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-5.8!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 HIS : no HD1:sc= -0.701 K(o=-0.7,f=-2.2) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 33 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-1.9) USER MOD Set 4.1: A 33 HIS : no HD1:sc= 0.433 K(o=2,f=-8.5!) USER MOD Set 4.2: A 36 LYS NZ :NH3+ 136:sc= 1.56 (180deg=0) USER MOD Set 4.3: B 40 TYR OH : rot -15:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0499 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 23 SER OG : rot -130:sc= 0.458 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 15:sc= -0.0527 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.488 K(o=0.49,f=-0.41) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -5:sc= 1.15 USER MOD Single : B 1 GLY N :NH3+ 136:sc= 0.0339 (180deg=0) USER MOD Single : B 2 SER OG : rot 6:sc= 0.496 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0473 USER MOD Single : B 6 SER OG : rot 180:sc= 0.15 USER MOD Single : B 23 SER OG : rot -51:sc= 1.47 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= -0.0067 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : B 36 LYS NZ :NH3+ -129:sc= 0.235 (180deg=-0.227) USER MOD Single : B 39 GLN : amide:sc= 1.14 K(o=1.1,f=-0.056) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= -0.0377 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.386 -18.048 -2.195 1.00 0.00 N ATOM 2 CA GLY A 1 -21.638 -17.294 -2.252 1.00 0.00 C ATOM 3 C GLY A 1 -21.927 -16.868 -3.673 1.00 0.00 C ATOM 4 O GLY A 1 -21.001 -16.561 -4.427 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.870 -17.799 -1.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.594 -19.067 -2.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.802 -17.814 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.457 -17.906 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.572 -16.417 -1.608 1.00 0.00 H new ATOM 8 N SER A 2 -23.212 -16.866 -4.031 1.00 0.00 N ATOM 9 CA SER A 2 -23.727 -16.487 -5.338 1.00 0.00 C ATOM 10 C SER A 2 -23.357 -15.025 -5.622 1.00 0.00 C ATOM 11 O SER A 2 -23.052 -14.276 -4.686 1.00 0.00 O ATOM 12 CB SER A 2 -25.242 -16.718 -5.310 1.00 0.00 C ATOM 13 OG SER A 2 -25.538 -18.018 -4.811 1.00 0.00 O ATOM 0 H SER A 2 -23.952 -17.142 -3.385 1.00 0.00 H new ATOM 0 HA SER A 2 -23.295 -17.082 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.719 -15.964 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.652 -16.605 -6.314 1.00 0.00 H new ATOM 0 HG SER A 2 -26.509 -18.150 -4.798 1.00 0.00 H new ATOM 19 N SER A 3 -23.407 -14.599 -6.885 1.00 0.00 N ATOM 20 CA SER A 3 -23.036 -13.236 -7.250 1.00 0.00 C ATOM 21 C SER A 3 -23.938 -12.666 -8.342 1.00 0.00 C ATOM 22 O SER A 3 -24.556 -13.418 -9.099 1.00 0.00 O ATOM 23 CB SER A 3 -21.583 -13.280 -7.735 1.00 0.00 C ATOM 24 OG SER A 3 -20.722 -13.930 -6.814 1.00 0.00 O ATOM 0 H SER A 3 -23.701 -15.180 -7.670 1.00 0.00 H new ATOM 0 HA SER A 3 -23.150 -12.583 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.539 -13.796 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.229 -12.263 -7.903 1.00 0.00 H new ATOM 0 HG SER A 3 -19.808 -13.934 -7.168 1.00 0.00 H new ATOM 30 N GLY A 4 -23.984 -11.337 -8.452 1.00 0.00 N ATOM 31 CA GLY A 4 -24.777 -10.594 -9.424 1.00 0.00 C ATOM 32 C GLY A 4 -25.740 -9.602 -8.764 1.00 0.00 C ATOM 33 O GLY A 4 -26.427 -8.868 -9.475 1.00 0.00 O ATOM 0 H GLY A 4 -23.445 -10.726 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.109 -10.054 -10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.346 -11.295 -10.035 1.00 0.00 H new ATOM 37 N SER A 5 -25.821 -9.584 -7.434 1.00 0.00 N ATOM 38 CA SER A 5 -26.681 -8.719 -6.638 1.00 0.00 C ATOM 39 C SER A 5 -26.138 -7.278 -6.534 1.00 0.00 C ATOM 40 O SER A 5 -25.248 -6.863 -7.286 1.00 0.00 O ATOM 41 CB SER A 5 -26.895 -9.410 -5.279 1.00 0.00 C ATOM 42 OG SER A 5 -25.710 -10.002 -4.768 1.00 0.00 O ATOM 0 H SER A 5 -25.257 -10.207 -6.855 1.00 0.00 H new ATOM 0 HA SER A 5 -27.648 -8.588 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.270 -8.680 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.662 -10.177 -5.384 1.00 0.00 H new ATOM 0 HG SER A 5 -25.901 -10.424 -3.905 1.00 0.00 H new ATOM 48 N SER A 6 -26.734 -6.479 -5.644 1.00 0.00 N ATOM 49 CA SER A 6 -26.396 -5.092 -5.362 1.00 0.00 C ATOM 50 C SER A 6 -24.962 -4.951 -4.810 1.00 0.00 C ATOM 51 O SER A 6 -24.272 -5.948 -4.573 1.00 0.00 O ATOM 52 CB SER A 6 -27.489 -4.535 -4.437 1.00 0.00 C ATOM 53 OG SER A 6 -27.774 -5.415 -3.362 1.00 0.00 O ATOM 0 H SER A 6 -27.510 -6.808 -5.070 1.00 0.00 H new ATOM 0 HA SER A 6 -26.379 -4.497 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.172 -3.570 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.398 -4.360 -5.013 1.00 0.00 H new ATOM 0 HG SER A 6 -28.472 -5.025 -2.796 1.00 0.00 H new ATOM 59 N GLY A 7 -24.499 -3.710 -4.627 1.00 0.00 N ATOM 60 CA GLY A 7 -23.160 -3.387 -4.142 1.00 0.00 C ATOM 61 C GLY A 7 -22.791 -3.984 -2.781 1.00 0.00 C ATOM 62 O GLY A 7 -23.670 -4.422 -2.032 1.00 0.00 O ATOM 0 H GLY A 7 -25.064 -2.882 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.433 -3.729 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.066 -2.303 -4.081 1.00 0.00 H new ATOM 66 N PRO A 8 -21.492 -3.998 -2.431 1.00 0.00 N ATOM 67 CA PRO A 8 -21.035 -4.527 -1.153 1.00 0.00 C ATOM 68 C PRO A 8 -21.458 -3.597 -0.013 1.00 0.00 C ATOM 69 O PRO A 8 -21.989 -4.054 1.000 1.00 0.00 O ATOM 70 CB PRO A 8 -19.511 -4.638 -1.271 1.00 0.00 C ATOM 71 CG PRO A 8 -19.133 -3.604 -2.335 1.00 0.00 C ATOM 72 CD PRO A 8 -20.370 -3.522 -3.232 1.00 0.00 C ATOM 0 HA PRO A 8 -21.473 -5.499 -0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.023 -4.426 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.208 -5.642 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.901 -2.638 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.253 -3.915 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -20.539 -2.499 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -20.243 -4.134 -4.125 1.00 0.00 H new ATOM 80 N LEU A 9 -21.177 -2.304 -0.175 1.00 0.00 N ATOM 81 CA LEU A 9 -21.443 -1.186 0.717 1.00 0.00 C ATOM 82 C LEU A 9 -21.164 0.100 -0.080 1.00 0.00 C ATOM 83 O LEU A 9 -21.108 0.055 -1.317 1.00 0.00 O ATOM 84 CB LEU A 9 -20.639 -1.300 2.035 1.00 0.00 C ATOM 85 CG LEU A 9 -19.189 -1.816 1.967 1.00 0.00 C ATOM 86 CD1 LEU A 9 -18.297 -1.093 0.957 1.00 0.00 C ATOM 87 CD2 LEU A 9 -18.554 -1.667 3.351 1.00 0.00 C ATOM 0 H LEU A 9 -20.709 -1.986 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -22.482 -1.179 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -20.619 -0.313 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -21.193 -1.956 2.706 1.00 0.00 H new ATOM 0 HG LEU A 9 -19.254 -2.853 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.296 -1.525 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.716 -1.203 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.242 -0.035 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.526 -2.028 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.561 -0.617 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -19.122 -2.250 4.076 1.00 0.00 H new ATOM 99 N GLU A 10 -21.081 1.245 0.595 1.00 0.00 N ATOM 100 CA GLU A 10 -20.810 2.560 0.020 1.00 0.00 C ATOM 101 C GLU A 10 -19.365 2.678 -0.493 1.00 0.00 C ATOM 102 O GLU A 10 -18.564 1.753 -0.380 1.00 0.00 O ATOM 103 CB GLU A 10 -21.101 3.629 1.100 1.00 0.00 C ATOM 104 CG GLU A 10 -22.322 4.497 0.766 1.00 0.00 C ATOM 105 CD GLU A 10 -22.181 5.149 -0.609 1.00 0.00 C ATOM 106 OE1 GLU A 10 -21.083 5.665 -0.920 1.00 0.00 O ATOM 107 OE2 GLU A 10 -23.109 5.029 -1.442 1.00 0.00 O ATOM 0 H GLU A 10 -21.207 1.282 1.607 1.00 0.00 H new ATOM 0 HA GLU A 10 -21.456 2.711 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.263 3.136 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.227 4.269 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.223 3.885 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.441 5.269 1.526 1.00 0.00 H new ATOM 114 N ARG A 11 -19.021 3.824 -1.080 1.00 0.00 N ATOM 115 CA ARG A 11 -17.699 4.145 -1.621 1.00 0.00 C ATOM 116 C ARG A 11 -17.175 5.480 -1.089 1.00 0.00 C ATOM 117 O ARG A 11 -15.988 5.756 -1.239 1.00 0.00 O ATOM 118 CB ARG A 11 -17.712 4.104 -3.157 1.00 0.00 C ATOM 119 CG ARG A 11 -18.788 5.001 -3.797 1.00 0.00 C ATOM 120 CD ARG A 11 -19.992 4.221 -4.336 1.00 0.00 C ATOM 121 NE ARG A 11 -19.661 3.406 -5.517 1.00 0.00 N ATOM 122 CZ ARG A 11 -20.542 2.816 -6.334 1.00 0.00 C ATOM 123 NH1 ARG A 11 -21.848 2.922 -6.127 1.00 0.00 N ATOM 124 NH2 ARG A 11 -20.103 2.099 -7.363 1.00 0.00 N ATOM 0 H ARG A 11 -19.686 4.589 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.004 3.379 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.733 4.408 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.870 3.076 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -19.134 5.723 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.339 5.569 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.381 3.573 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.787 4.921 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.672 3.280 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.197 3.460 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.504 2.465 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.101 2.001 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.768 1.646 -7.990 1.00 0.00 H new ATOM 138 N GLU A 12 -18.007 6.279 -0.419 1.00 0.00 N ATOM 139 CA GLU A 12 -17.644 7.580 0.150 1.00 0.00 C ATOM 140 C GLU A 12 -16.616 7.507 1.301 1.00 0.00 C ATOM 141 O GLU A 12 -16.224 8.540 1.849 1.00 0.00 O ATOM 142 CB GLU A 12 -18.927 8.293 0.610 1.00 0.00 C ATOM 143 CG GLU A 12 -19.618 7.543 1.762 1.00 0.00 C ATOM 144 CD GLU A 12 -20.843 8.255 2.328 1.00 0.00 C ATOM 145 OE1 GLU A 12 -21.357 9.215 1.717 1.00 0.00 O ATOM 146 OE2 GLU A 12 -21.278 7.841 3.431 1.00 0.00 O ATOM 0 H GLU A 12 -18.982 6.032 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.145 8.145 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.684 9.306 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.615 8.381 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.916 6.555 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.897 7.391 2.565 1.00 0.00 H new ATOM 153 N GLY A 13 -16.168 6.323 1.719 1.00 0.00 N ATOM 154 CA GLY A 13 -15.205 6.178 2.797 1.00 0.00 C ATOM 155 C GLY A 13 -14.610 4.781 2.802 1.00 0.00 C ATOM 156 O GLY A 13 -14.851 3.994 1.883 1.00 0.00 O ATOM 0 H GLY A 13 -16.468 5.436 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.411 6.916 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.690 6.375 3.753 1.00 0.00 H new ATOM 160 N LEU A 14 -13.797 4.494 3.814 1.00 0.00 N ATOM 161 CA LEU A 14 -13.115 3.226 4.034 1.00 0.00 C ATOM 162 C LEU A 14 -13.250 2.847 5.508 1.00 0.00 C ATOM 163 O LEU A 14 -13.466 3.729 6.344 1.00 0.00 O ATOM 164 CB LEU A 14 -11.613 3.374 3.711 1.00 0.00 C ATOM 165 CG LEU A 14 -11.284 3.429 2.214 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.811 3.798 2.038 1.00 0.00 C ATOM 167 CD2 LEU A 14 -11.524 2.081 1.524 1.00 0.00 C ATOM 0 H LEU A 14 -13.586 5.178 4.541 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.557 2.464 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.241 4.282 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.075 2.538 4.157 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.939 4.173 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.571 3.839 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.623 4.772 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.187 3.047 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.278 2.165 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.893 1.320 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.571 1.798 1.632 1.00 0.00 H new ATOM 179 N PRO A 15 -13.126 1.562 5.861 1.00 0.00 N ATOM 180 CA PRO A 15 -13.212 1.170 7.253 1.00 0.00 C ATOM 181 C PRO A 15 -11.956 1.637 8.007 1.00 0.00 C ATOM 182 O PRO A 15 -10.894 1.793 7.395 1.00 0.00 O ATOM 183 CB PRO A 15 -13.273 -0.354 7.260 1.00 0.00 C ATOM 184 CG PRO A 15 -12.804 -0.800 5.877 1.00 0.00 C ATOM 185 CD PRO A 15 -12.889 0.430 4.984 1.00 0.00 C ATOM 0 HA PRO A 15 -14.082 1.612 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.634 -0.767 8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.286 -0.703 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.784 -1.183 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.432 -1.604 5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.966 0.564 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.695 0.327 4.258 1.00 0.00 H new ATOM 193 N PRO A 16 -12.046 1.835 9.331 1.00 0.00 N ATOM 194 CA PRO A 16 -10.909 2.237 10.137 1.00 0.00 C ATOM 195 C PRO A 16 -10.008 1.004 10.136 1.00 0.00 C ATOM 196 O PRO A 16 -10.416 -0.075 10.585 1.00 0.00 O ATOM 197 CB PRO A 16 -11.470 2.617 11.508 1.00 0.00 C ATOM 198 CG PRO A 16 -12.776 1.832 11.600 1.00 0.00 C ATOM 199 CD PRO A 16 -13.233 1.670 10.148 1.00 0.00 C ATOM 0 HA PRO A 16 -10.334 3.095 9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.783 2.346 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.643 3.690 11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.624 0.864 12.078 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.519 2.367 12.192 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.683 0.690 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.988 2.413 9.892 1.00 0.00 H new ATOM 207 N GLY A 17 -8.813 1.132 9.581 1.00 0.00 N ATOM 208 CA GLY A 17 -7.830 0.073 9.449 1.00 0.00 C ATOM 209 C GLY A 17 -7.401 -0.077 7.989 1.00 0.00 C ATOM 210 O GLY A 17 -6.551 -0.922 7.701 1.00 0.00 O ATOM 0 H GLY A 17 -8.489 2.018 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.961 0.295 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.248 -0.867 9.810 1.00 0.00 H new ATOM 214 N TRP A 18 -7.945 0.719 7.062 1.00 0.00 N ATOM 215 CA TRP A 18 -7.607 0.701 5.644 1.00 0.00 C ATOM 216 C TRP A 18 -7.094 2.075 5.220 1.00 0.00 C ATOM 217 O TRP A 18 -7.579 3.102 5.689 1.00 0.00 O ATOM 218 CB TRP A 18 -8.833 0.292 4.836 1.00 0.00 C ATOM 219 CG TRP A 18 -9.017 -1.186 4.760 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.458 -1.979 5.759 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.743 -2.065 3.636 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.498 -3.287 5.325 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.081 -3.395 4.015 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.250 -1.862 2.330 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.963 -4.469 3.123 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -8.149 -2.926 1.415 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.530 -4.222 1.811 1.00 0.00 C ATOM 0 H TRP A 18 -8.655 1.414 7.291 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.817 -0.026 5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.721 0.740 5.282 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.746 0.694 3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.737 -1.641 6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.798 -4.075 5.900 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.944 -0.871 2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.202 -5.473 3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.781 -2.750 0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.489 -5.033 1.099 1.00 0.00 H new ATOM 238 N GLU A 19 -6.122 2.102 4.312 1.00 0.00 N ATOM 239 CA GLU A 19 -5.520 3.325 3.793 1.00 0.00 C ATOM 240 C GLU A 19 -5.800 3.432 2.294 1.00 0.00 C ATOM 241 O GLU A 19 -5.949 2.412 1.611 1.00 0.00 O ATOM 242 CB GLU A 19 -4.007 3.252 4.053 1.00 0.00 C ATOM 243 CG GLU A 19 -3.272 4.596 3.943 1.00 0.00 C ATOM 244 CD GLU A 19 -3.457 5.532 5.139 1.00 0.00 C ATOM 245 OE1 GLU A 19 -3.593 5.021 6.269 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.383 6.767 4.977 1.00 0.00 O ATOM 0 H GLU A 19 -5.723 1.255 3.908 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.938 4.204 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.843 2.844 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.564 2.552 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.207 4.402 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.614 5.108 3.043 1.00 0.00 H new ATOM 253 N ARG A 20 -5.882 4.659 1.782 1.00 0.00 N ATOM 254 CA ARG A 20 -6.107 4.964 0.379 1.00 0.00 C ATOM 255 C ARG A 20 -4.800 5.562 -0.114 1.00 0.00 C ATOM 256 O ARG A 20 -4.206 6.396 0.572 1.00 0.00 O ATOM 257 CB ARG A 20 -7.253 5.983 0.224 1.00 0.00 C ATOM 258 CG ARG A 20 -7.668 6.182 -1.246 1.00 0.00 C ATOM 259 CD ARG A 20 -8.806 7.200 -1.415 1.00 0.00 C ATOM 260 NE ARG A 20 -8.345 8.593 -1.317 1.00 0.00 N ATOM 261 CZ ARG A 20 -8.259 9.384 -0.237 1.00 0.00 C ATOM 262 NH1 ARG A 20 -8.743 9.037 0.955 1.00 0.00 N ATOM 263 NH2 ARG A 20 -7.664 10.558 -0.373 1.00 0.00 N ATOM 0 H ARG A 20 -5.789 5.496 2.358 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.392 4.078 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.115 5.646 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.944 6.940 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.803 6.513 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.980 5.224 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.283 7.047 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.565 7.019 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.048 9.018 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.203 8.135 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.653 9.674 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.288 10.837 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.582 11.184 0.428 1.00 0.00 H new ATOM 277 N VAL A 21 -4.367 5.151 -1.295 1.00 0.00 N ATOM 278 CA VAL A 21 -3.142 5.657 -1.898 1.00 0.00 C ATOM 279 C VAL A 21 -3.506 6.328 -3.221 1.00 0.00 C ATOM 280 O VAL A 21 -4.089 5.661 -4.078 1.00 0.00 O ATOM 281 CB VAL A 21 -2.129 4.514 -2.057 1.00 0.00 C ATOM 282 CG1 VAL A 21 -0.805 5.088 -2.562 1.00 0.00 C ATOM 283 CG2 VAL A 21 -1.887 3.762 -0.740 1.00 0.00 C ATOM 0 H VAL A 21 -4.854 4.458 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.662 6.402 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.541 3.801 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.080 4.283 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.963 5.575 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.427 5.816 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.163 2.964 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.500 4.454 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.826 3.334 -0.388 1.00 0.00 H new ATOM 293 N GLU A 22 -3.140 7.599 -3.411 1.00 0.00 N ATOM 294 CA GLU A 22 -3.388 8.410 -4.603 1.00 0.00 C ATOM 295 C GLU A 22 -2.034 8.803 -5.218 1.00 0.00 C ATOM 296 O GLU A 22 -1.253 9.556 -4.626 1.00 0.00 O ATOM 297 CB GLU A 22 -4.331 9.592 -4.278 1.00 0.00 C ATOM 298 CG GLU A 22 -3.830 10.581 -3.210 1.00 0.00 C ATOM 299 CD GLU A 22 -4.879 11.588 -2.714 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.082 11.254 -2.569 1.00 0.00 O ATOM 301 OE2 GLU A 22 -4.484 12.717 -2.347 1.00 0.00 O ATOM 0 H GLU A 22 -2.633 8.118 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.924 7.843 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.518 10.146 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.288 9.187 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.461 10.014 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.982 11.133 -3.617 1.00 0.00 H new ATOM 308 N SER A 23 -1.726 8.246 -6.389 1.00 0.00 N ATOM 309 CA SER A 23 -0.493 8.462 -7.141 1.00 0.00 C ATOM 310 C SER A 23 -0.821 8.911 -8.560 1.00 0.00 C ATOM 311 O SER A 23 -1.977 8.847 -8.982 1.00 0.00 O ATOM 312 CB SER A 23 0.287 7.143 -7.197 1.00 0.00 C ATOM 313 OG SER A 23 -0.509 6.134 -7.802 1.00 0.00 O ATOM 0 H SER A 23 -2.361 7.601 -6.860 1.00 0.00 H new ATOM 0 HA SER A 23 0.102 9.233 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.208 7.279 -7.763 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.574 6.837 -6.191 1.00 0.00 H new ATOM 0 HG SER A 23 -0.505 5.332 -7.238 1.00 0.00 H new ATOM 319 N SER A 24 0.187 9.317 -9.326 1.00 0.00 N ATOM 320 CA SER A 24 -0.003 9.745 -10.705 1.00 0.00 C ATOM 321 C SER A 24 0.561 8.714 -11.679 1.00 0.00 C ATOM 322 O SER A 24 0.105 8.639 -12.820 1.00 0.00 O ATOM 323 CB SER A 24 0.657 11.107 -10.878 1.00 0.00 C ATOM 324 OG SER A 24 0.054 12.045 -10.004 1.00 0.00 O ATOM 0 H SER A 24 1.155 9.358 -9.008 1.00 0.00 H new ATOM 0 HA SER A 24 -1.067 9.831 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.724 11.034 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.557 11.441 -11.911 1.00 0.00 H new ATOM 0 HG SER A 24 0.482 12.919 -10.117 1.00 0.00 H new ATOM 330 N GLU A 25 1.508 7.882 -11.235 1.00 0.00 N ATOM 331 CA GLU A 25 2.114 6.867 -12.085 1.00 0.00 C ATOM 332 C GLU A 25 1.256 5.602 -12.139 1.00 0.00 C ATOM 333 O GLU A 25 1.386 4.817 -13.081 1.00 0.00 O ATOM 334 CB GLU A 25 3.545 6.593 -11.600 1.00 0.00 C ATOM 335 CG GLU A 25 4.430 5.967 -12.693 1.00 0.00 C ATOM 336 CD GLU A 25 5.933 6.154 -12.436 1.00 0.00 C ATOM 337 OE1 GLU A 25 6.372 7.297 -12.188 1.00 0.00 O ATOM 338 OE2 GLU A 25 6.696 5.163 -12.580 1.00 0.00 O ATOM 0 H GLU A 25 1.870 7.897 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 25 2.168 7.233 -13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.996 7.527 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.511 5.926 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.210 4.902 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.175 6.410 -13.656 1.00 0.00 H new ATOM 345 N PHE A 26 0.349 5.432 -11.169 1.00 0.00 N ATOM 346 CA PHE A 26 -0.553 4.292 -11.060 1.00 0.00 C ATOM 347 C PHE A 26 -2.000 4.796 -11.065 1.00 0.00 C ATOM 348 O PHE A 26 -2.763 4.469 -11.979 1.00 0.00 O ATOM 349 CB PHE A 26 -0.210 3.436 -9.823 1.00 0.00 C ATOM 350 CG PHE A 26 1.279 3.235 -9.592 1.00 0.00 C ATOM 351 CD1 PHE A 26 2.018 2.451 -10.500 1.00 0.00 C ATOM 352 CD2 PHE A 26 1.937 3.842 -8.498 1.00 0.00 C ATOM 353 CE1 PHE A 26 3.401 2.282 -10.320 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.323 3.692 -8.342 1.00 0.00 C ATOM 355 CZ PHE A 26 4.055 2.910 -9.248 1.00 0.00 C ATOM 0 H PHE A 26 0.223 6.109 -10.417 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.430 3.632 -11.919 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.642 3.906 -8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.684 2.460 -9.929 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.521 1.980 -11.335 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.373 4.421 -7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.963 1.667 -11.008 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.828 4.180 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.121 2.791 -9.121 1.00 0.00 H new ATOM 365 N GLY A 27 -2.387 5.614 -10.083 1.00 0.00 N ATOM 366 CA GLY A 27 -3.735 6.162 -9.977 1.00 0.00 C ATOM 367 C GLY A 27 -4.256 6.092 -8.549 1.00 0.00 C ATOM 368 O GLY A 27 -4.021 7.013 -7.766 1.00 0.00 O ATOM 0 H GLY A 27 -1.765 5.915 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.735 7.198 -10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.405 5.612 -10.637 1.00 0.00 H new ATOM 372 N THR A 28 -5.016 5.045 -8.210 1.00 0.00 N ATOM 373 CA THR A 28 -5.565 4.902 -6.868 1.00 0.00 C ATOM 374 C THR A 28 -5.785 3.442 -6.502 1.00 0.00 C ATOM 375 O THR A 28 -6.381 2.689 -7.281 1.00 0.00 O ATOM 376 CB THR A 28 -6.934 5.599 -6.711 1.00 0.00 C ATOM 377 OG1 THR A 28 -7.081 6.780 -7.464 1.00 0.00 O ATOM 378 CG2 THR A 28 -7.243 5.958 -5.247 1.00 0.00 C ATOM 0 H THR A 28 -5.261 4.289 -8.849 1.00 0.00 H new ATOM 0 HA THR A 28 -4.826 5.365 -6.214 1.00 0.00 H new ATOM 0 HB THR A 28 -7.633 4.853 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.972 7.157 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.216 6.446 -5.190 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.256 5.050 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.476 6.633 -4.868 1.00 0.00 H new ATOM 386 N TYR A 29 -5.348 3.038 -5.314 1.00 0.00 N ATOM 387 CA TYR A 29 -5.541 1.690 -4.799 1.00 0.00 C ATOM 388 C TYR A 29 -5.678 1.799 -3.280 1.00 0.00 C ATOM 389 O TYR A 29 -5.433 2.868 -2.712 1.00 0.00 O ATOM 390 CB TYR A 29 -4.425 0.745 -5.257 1.00 0.00 C ATOM 391 CG TYR A 29 -3.047 1.068 -4.727 1.00 0.00 C ATOM 392 CD1 TYR A 29 -2.204 1.930 -5.450 1.00 0.00 C ATOM 393 CD2 TYR A 29 -2.606 0.501 -3.517 1.00 0.00 C ATOM 394 CE1 TYR A 29 -0.926 2.238 -4.959 1.00 0.00 C ATOM 395 CE2 TYR A 29 -1.326 0.805 -3.027 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.481 1.680 -3.741 1.00 0.00 C ATOM 397 OH TYR A 29 0.754 1.985 -3.257 1.00 0.00 O ATOM 0 H TYR A 29 -4.842 3.649 -4.673 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.450 1.242 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.684 -0.270 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.388 0.754 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.540 2.355 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.251 -0.167 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.281 2.903 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.987 0.367 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 29 1.106 2.769 -3.729 1.00 0.00 H new ATOM 407 N TYR A 30 -6.074 0.715 -2.616 1.00 0.00 N ATOM 408 CA TYR A 30 -6.239 0.698 -1.174 1.00 0.00 C ATOM 409 C TYR A 30 -5.294 -0.333 -0.593 1.00 0.00 C ATOM 410 O TYR A 30 -4.983 -1.339 -1.243 1.00 0.00 O ATOM 411 CB TYR A 30 -7.685 0.369 -0.792 1.00 0.00 C ATOM 412 CG TYR A 30 -8.732 1.121 -1.582 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.981 2.481 -1.322 1.00 0.00 C ATOM 414 CD2 TYR A 30 -9.441 0.455 -2.594 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.962 3.176 -2.055 1.00 0.00 C ATOM 416 CE2 TYR A 30 -10.418 1.139 -3.330 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.683 2.502 -3.065 1.00 0.00 C ATOM 418 OH TYR A 30 -11.617 3.150 -3.811 1.00 0.00 O ATOM 0 H TYR A 30 -6.288 -0.174 -3.068 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.008 1.685 -0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.847 -0.701 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.825 0.584 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.417 2.994 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.234 -0.584 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.162 4.217 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.970 0.623 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.010 2.527 -4.457 1.00 0.00 H new ATOM 428 N VAL A 31 -4.892 -0.106 0.651 1.00 0.00 N ATOM 429 CA VAL A 31 -3.991 -0.995 1.371 1.00 0.00 C ATOM 430 C VAL A 31 -4.695 -1.566 2.617 1.00 0.00 C ATOM 431 O VAL A 31 -5.315 -0.829 3.387 1.00 0.00 O ATOM 432 CB VAL A 31 -2.657 -0.264 1.648 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.672 -1.238 2.231 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.968 0.228 0.375 1.00 0.00 C ATOM 0 H VAL A 31 -5.185 0.707 1.193 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.731 -1.865 0.768 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.911 0.571 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.729 -0.728 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.068 -1.642 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.504 -2.051 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.038 0.732 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.751 -0.621 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.624 0.924 -0.148 1.00 0.00 H new ATOM 444 N ASP A 32 -4.602 -2.894 2.798 1.00 0.00 N ATOM 445 CA ASP A 32 -5.182 -3.657 3.912 1.00 0.00 C ATOM 446 C ASP A 32 -4.124 -3.910 4.975 1.00 0.00 C ATOM 447 O ASP A 32 -3.266 -4.782 4.794 1.00 0.00 O ATOM 448 CB ASP A 32 -5.678 -5.040 3.468 1.00 0.00 C ATOM 449 CG ASP A 32 -6.285 -5.811 4.646 1.00 0.00 C ATOM 450 OD1 ASP A 32 -6.831 -5.217 5.596 1.00 0.00 O ATOM 451 OD2 ASP A 32 -6.223 -7.060 4.629 1.00 0.00 O ATOM 0 H ASP A 32 -4.098 -3.490 2.142 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.014 -3.063 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.423 -4.927 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.850 -5.609 3.045 1.00 0.00 H new ATOM 456 N HIS A 33 -4.148 -3.185 6.086 1.00 0.00 N ATOM 457 CA HIS A 33 -3.155 -3.380 7.140 1.00 0.00 C ATOM 458 C HIS A 33 -3.255 -4.735 7.842 1.00 0.00 C ATOM 459 O HIS A 33 -2.268 -5.167 8.446 1.00 0.00 O ATOM 460 CB HIS A 33 -3.226 -2.232 8.159 1.00 0.00 C ATOM 461 CG HIS A 33 -1.975 -1.397 8.162 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.745 -1.805 8.670 1.00 0.00 N ATOM 463 CD2 HIS A 33 -1.835 -0.155 7.620 1.00 0.00 C ATOM 464 CE1 HIS A 33 0.078 -0.754 8.520 1.00 0.00 C ATOM 465 NE2 HIS A 33 -0.547 0.239 7.872 1.00 0.00 N ATOM 0 H HIS A 33 -4.839 -2.460 6.282 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.183 -3.373 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.083 -1.598 7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.389 -2.642 9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.591 0.409 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.098 -0.715 8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.134 1.135 7.611 1.00 0.00 H new ATOM 473 N THR A 34 -4.384 -5.440 7.739 1.00 0.00 N ATOM 474 CA THR A 34 -4.574 -6.720 8.400 1.00 0.00 C ATOM 475 C THR A 34 -3.872 -7.872 7.675 1.00 0.00 C ATOM 476 O THR A 34 -3.321 -8.751 8.336 1.00 0.00 O ATOM 477 CB THR A 34 -6.082 -6.960 8.556 1.00 0.00 C ATOM 478 OG1 THR A 34 -6.671 -5.899 9.285 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.388 -8.227 9.352 1.00 0.00 C ATOM 0 H THR A 34 -5.189 -5.134 7.193 1.00 0.00 H new ATOM 0 HA THR A 34 -4.106 -6.687 9.384 1.00 0.00 H new ATOM 0 HB THR A 34 -6.478 -7.043 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.633 -6.060 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.468 -8.353 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.960 -9.090 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.955 -8.144 10.349 1.00 0.00 H new ATOM 487 N ASN A 35 -3.818 -7.861 6.339 1.00 0.00 N ATOM 488 CA ASN A 35 -3.189 -8.937 5.552 1.00 0.00 C ATOM 489 C ASN A 35 -2.016 -8.456 4.710 1.00 0.00 C ATOM 490 O ASN A 35 -1.424 -9.226 3.948 1.00 0.00 O ATOM 491 CB ASN A 35 -4.244 -9.596 4.661 1.00 0.00 C ATOM 492 CG ASN A 35 -5.280 -10.318 5.499 1.00 0.00 C ATOM 493 OD1 ASN A 35 -5.058 -11.443 5.940 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.389 -9.663 5.793 1.00 0.00 N ATOM 0 H ASN A 35 -4.207 -7.109 5.770 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.783 -9.660 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.731 -8.840 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.764 -10.300 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.088 -10.090 6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.546 -8.730 5.412 1.00 0.00 H new ATOM 501 N LYS A 36 -1.651 -7.184 4.850 1.00 0.00 N ATOM 502 CA LYS A 36 -0.566 -6.551 4.120 1.00 0.00 C ATOM 503 C LYS A 36 -0.743 -6.740 2.602 1.00 0.00 C ATOM 504 O LYS A 36 0.205 -7.182 1.942 1.00 0.00 O ATOM 505 CB LYS A 36 0.809 -6.924 4.692 1.00 0.00 C ATOM 506 CG LYS A 36 1.035 -6.342 6.099 1.00 0.00 C ATOM 507 CD LYS A 36 1.355 -4.843 6.143 1.00 0.00 C ATOM 508 CE LYS A 36 1.780 -4.420 7.550 1.00 0.00 C ATOM 509 NZ LYS A 36 0.663 -4.297 8.510 1.00 0.00 N ATOM 0 H LYS A 36 -2.120 -6.549 5.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.612 -5.472 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.901 -8.009 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.589 -6.562 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.142 -6.524 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.853 -6.886 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.151 -4.615 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.480 -4.270 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.496 -5.146 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.298 -3.463 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.932 -4.735 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.446 -3.291 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.177 -4.778 8.129 1.00 0.00 H new ATOM 523 N ARG A 37 -1.946 -6.494 2.052 1.00 0.00 N ATOM 524 CA ARG A 37 -2.251 -6.631 0.618 1.00 0.00 C ATOM 525 C ARG A 37 -2.718 -5.307 0.020 1.00 0.00 C ATOM 526 O ARG A 37 -3.397 -4.537 0.701 1.00 0.00 O ATOM 527 CB ARG A 37 -3.318 -7.703 0.374 1.00 0.00 C ATOM 528 CG ARG A 37 -2.867 -9.073 0.889 1.00 0.00 C ATOM 529 CD ARG A 37 -3.611 -10.211 0.202 1.00 0.00 C ATOM 530 NE ARG A 37 -5.057 -10.222 0.478 1.00 0.00 N ATOM 531 CZ ARG A 37 -5.831 -11.300 0.318 1.00 0.00 C ATOM 532 NH1 ARG A 37 -5.334 -12.414 -0.208 1.00 0.00 N ATOM 533 NH2 ARG A 37 -7.108 -11.244 0.662 1.00 0.00 N ATOM 0 H ARG A 37 -2.748 -6.189 2.603 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.327 -6.934 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.245 -7.414 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.533 -7.767 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.796 -9.188 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.032 -9.129 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.456 -10.138 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.181 -11.160 0.522 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.492 -9.361 0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.355 -12.451 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.931 -13.232 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.495 -10.382 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.705 -12.063 0.543 1.00 0.00 H new ATOM 547 N ALA A 38 -2.313 -5.034 -1.223 1.00 0.00 N ATOM 548 CA ALA A 38 -2.653 -3.837 -1.978 1.00 0.00 C ATOM 549 C ALA A 38 -3.754 -4.272 -2.944 1.00 0.00 C ATOM 550 O ALA A 38 -3.652 -5.367 -3.504 1.00 0.00 O ATOM 551 CB ALA A 38 -1.410 -3.329 -2.733 1.00 0.00 C ATOM 0 H ALA A 38 -1.714 -5.671 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.990 -3.018 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.668 -2.433 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.621 -3.093 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.060 -4.101 -3.418 1.00 0.00 H new ATOM 557 N GLN A 39 -4.801 -3.476 -3.166 1.00 0.00 N ATOM 558 CA GLN A 39 -5.856 -3.882 -4.088 1.00 0.00 C ATOM 559 C GLN A 39 -6.528 -2.715 -4.794 1.00 0.00 C ATOM 560 O GLN A 39 -6.730 -1.642 -4.225 1.00 0.00 O ATOM 561 CB GLN A 39 -6.882 -4.788 -3.386 1.00 0.00 C ATOM 562 CG GLN A 39 -7.451 -4.231 -2.074 1.00 0.00 C ATOM 563 CD GLN A 39 -8.404 -5.230 -1.425 1.00 0.00 C ATOM 564 OE1 GLN A 39 -7.980 -6.266 -0.910 1.00 0.00 O ATOM 565 NE2 GLN A 39 -9.693 -4.946 -1.410 1.00 0.00 N ATOM 0 H GLN A 39 -4.938 -2.565 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.370 -4.458 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.708 -4.975 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.414 -5.751 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.636 -4.002 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.976 -3.296 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.031 -4.085 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.351 -5.588 -0.968 1.00 0.00 H new ATOM 574 N TYR A 40 -6.924 -2.984 -6.038 1.00 0.00 N ATOM 575 CA TYR A 40 -7.598 -2.057 -6.938 1.00 0.00 C ATOM 576 C TYR A 40 -9.128 -2.069 -6.744 1.00 0.00 C ATOM 577 O TYR A 40 -9.853 -1.430 -7.508 1.00 0.00 O ATOM 578 CB TYR A 40 -7.214 -2.420 -8.382 1.00 0.00 C ATOM 579 CG TYR A 40 -5.733 -2.346 -8.725 1.00 0.00 C ATOM 580 CD1 TYR A 40 -5.043 -1.124 -8.611 1.00 0.00 C ATOM 581 CD2 TYR A 40 -5.057 -3.481 -9.220 1.00 0.00 C ATOM 582 CE1 TYR A 40 -3.693 -1.030 -8.991 1.00 0.00 C ATOM 583 CE2 TYR A 40 -3.700 -3.395 -9.599 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.014 -2.165 -9.487 1.00 0.00 C ATOM 585 OH TYR A 40 -1.717 -2.053 -9.881 1.00 0.00 O ATOM 0 H TYR A 40 -6.775 -3.899 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.275 -1.041 -6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.562 -3.433 -8.584 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.755 -1.757 -9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.555 -0.253 -8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.581 -4.421 -9.309 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.173 -0.087 -8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.187 -4.268 -9.974 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.394 -2.923 -10.196 1.00 0.00 H new ATOM 595 N ARG A 41 -9.652 -2.836 -5.775 1.00 0.00 N ATOM 596 CA ARG A 41 -11.080 -2.942 -5.456 1.00 0.00 C ATOM 597 C ARG A 41 -11.279 -2.522 -4.005 1.00 0.00 C ATOM 598 O ARG A 41 -10.407 -2.762 -3.167 1.00 0.00 O ATOM 599 CB ARG A 41 -11.689 -4.328 -5.763 1.00 0.00 C ATOM 600 CG ARG A 41 -10.838 -5.571 -5.447 1.00 0.00 C ATOM 601 CD ARG A 41 -10.012 -6.000 -6.670 1.00 0.00 C ATOM 602 NE ARG A 41 -9.361 -7.309 -6.483 1.00 0.00 N ATOM 603 CZ ARG A 41 -9.245 -8.280 -7.402 1.00 0.00 C ATOM 604 NH1 ARG A 41 -9.790 -8.177 -8.609 1.00 0.00 N ATOM 605 NH2 ARG A 41 -8.559 -9.378 -7.111 1.00 0.00 N ATOM 0 H ARG A 41 -9.071 -3.419 -5.173 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.630 -2.268 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.624 -4.413 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.942 -4.356 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.172 -5.357 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.486 -6.390 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.660 -6.043 -7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.252 -5.246 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.959 -7.495 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.316 -7.340 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.682 -8.934 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.124 -9.480 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.467 -10.120 -7.804 1.00 0.00 H new ATOM 619 N HIS A 42 -12.394 -1.851 -3.738 1.00 0.00 N ATOM 620 CA HIS A 42 -12.783 -1.331 -2.431 1.00 0.00 C ATOM 621 C HIS A 42 -12.956 -2.472 -1.424 1.00 0.00 C ATOM 622 O HIS A 42 -13.426 -3.542 -1.824 1.00 0.00 O ATOM 623 CB HIS A 42 -14.090 -0.542 -2.603 1.00 0.00 C ATOM 624 CG HIS A 42 -14.397 0.442 -1.502 1.00 0.00 C ATOM 625 ND1 HIS A 42 -15.318 0.249 -0.471 1.00 0.00 N ATOM 626 CD2 HIS A 42 -13.923 1.718 -1.438 1.00 0.00 C ATOM 627 CE1 HIS A 42 -15.392 1.425 0.176 1.00 0.00 C ATOM 628 NE2 HIS A 42 -14.546 2.310 -0.366 1.00 0.00 N ATOM 0 H HIS A 42 -13.084 -1.645 -4.460 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.005 -0.675 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.048 -0.002 -3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.916 -1.250 -2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.201 2.174 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -16.042 1.627 1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.390 3.263 -0.038 1.00 0.00 H new ATOM 636 N PRO A 43 -12.563 -2.297 -0.152 1.00 0.00 N ATOM 637 CA PRO A 43 -12.712 -3.325 0.872 1.00 0.00 C ATOM 638 C PRO A 43 -14.173 -3.475 1.306 1.00 0.00 C ATOM 639 O PRO A 43 -15.048 -2.729 0.875 1.00 0.00 O ATOM 640 CB PRO A 43 -11.855 -2.827 2.033 1.00 0.00 C ATOM 641 CG PRO A 43 -11.884 -1.313 1.918 1.00 0.00 C ATOM 642 CD PRO A 43 -11.980 -1.087 0.414 1.00 0.00 C ATOM 0 HA PRO A 43 -12.406 -4.307 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.256 -3.158 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.836 -3.209 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.736 -0.884 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.987 -0.859 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.599 -0.218 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.996 -0.895 -0.013 1.00 0.00 H new ATOM 650 N SER A 44 -14.438 -4.411 2.213 1.00 0.00 N ATOM 651 CA SER A 44 -15.761 -4.676 2.755 1.00 0.00 C ATOM 652 C SER A 44 -15.687 -4.799 4.277 1.00 0.00 C ATOM 653 O SER A 44 -14.593 -4.875 4.855 1.00 0.00 O ATOM 654 CB SER A 44 -16.312 -5.982 2.180 1.00 0.00 C ATOM 655 OG SER A 44 -16.347 -6.009 0.766 1.00 0.00 O ATOM 0 H SER A 44 -13.717 -5.021 2.599 1.00 0.00 H new ATOM 0 HA SER A 44 -16.418 -3.850 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.701 -6.812 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.320 -6.141 2.563 1.00 0.00 H new ATOM 0 HG SER A 44 -16.707 -6.869 0.464 1.00 0.00 H new ATOM 661 N GLY A 45 -16.852 -4.812 4.926 1.00 0.00 N ATOM 662 CA GLY A 45 -16.957 -4.966 6.361 1.00 0.00 C ATOM 663 C GLY A 45 -17.306 -6.427 6.653 1.00 0.00 C ATOM 664 O GLY A 45 -17.927 -7.094 5.814 1.00 0.00 O ATOM 0 H GLY A 45 -17.753 -4.714 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.018 -4.694 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.724 -4.303 6.761 1.00 0.00 H new ATOM 668 N PRO A 46 -16.959 -6.922 7.849 1.00 0.00 N ATOM 669 CA PRO A 46 -17.231 -8.293 8.258 1.00 0.00 C ATOM 670 C PRO A 46 -18.699 -8.588 8.599 1.00 0.00 C ATOM 671 O PRO A 46 -19.071 -9.760 8.634 1.00 0.00 O ATOM 672 CB PRO A 46 -16.363 -8.496 9.500 1.00 0.00 C ATOM 673 CG PRO A 46 -16.285 -7.101 10.111 1.00 0.00 C ATOM 674 CD PRO A 46 -16.212 -6.212 8.880 1.00 0.00 C ATOM 0 HA PRO A 46 -17.010 -8.969 7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.810 -9.212 10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.375 -8.877 9.241 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.158 -6.876 10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.409 -6.985 10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.647 -5.232 9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.179 -6.047 8.574 1.00 0.00 H new ATOM 682 N SER A 47 -19.538 -7.587 8.873 1.00 0.00 N ATOM 683 CA SER A 47 -20.946 -7.752 9.223 1.00 0.00 C ATOM 684 C SER A 47 -21.799 -6.807 8.375 1.00 0.00 C ATOM 685 O SER A 47 -21.268 -5.954 7.656 1.00 0.00 O ATOM 686 CB SER A 47 -21.107 -7.474 10.723 1.00 0.00 C ATOM 687 OG SER A 47 -22.182 -8.223 11.267 1.00 0.00 O ATOM 0 H SER A 47 -19.245 -6.610 8.856 1.00 0.00 H new ATOM 0 HA SER A 47 -21.282 -8.768 9.018 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.183 -7.726 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.283 -6.410 10.882 1.00 0.00 H new ATOM 0 HG SER A 47 -22.264 -8.030 12.224 1.00 0.00 H new ATOM 693 N SER A 48 -23.124 -6.969 8.386 1.00 0.00 N ATOM 694 CA SER A 48 -24.036 -6.116 7.617 1.00 0.00 C ATOM 695 C SER A 48 -25.482 -6.116 8.123 1.00 0.00 C ATOM 696 O SER A 48 -26.197 -5.162 7.818 1.00 0.00 O ATOM 697 CB SER A 48 -24.029 -6.548 6.142 1.00 0.00 C ATOM 698 OG SER A 48 -22.792 -6.236 5.521 1.00 0.00 O ATOM 0 H SER A 48 -23.595 -7.694 8.927 1.00 0.00 H new ATOM 0 HA SER A 48 -23.662 -5.100 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.213 -7.620 6.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 -24.841 -6.051 5.611 1.00 0.00 H new ATOM 0 HG SER A 48 -22.227 -5.738 6.148 1.00 0.00 H new ATOM 704 N GLY A 49 -25.912 -7.080 8.943 1.00 0.00 N ATOM 705 CA GLY A 49 -27.284 -7.140 9.429 1.00 0.00 C ATOM 706 C GLY A 49 -28.113 -7.694 8.291 1.00 0.00 C ATOM 707 O GLY A 49 -28.015 -8.915 8.034 1.00 0.00 O ATOM 0 H GLY A 49 -25.318 -7.835 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.357 -7.778 10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.637 -6.151 9.722 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 21.009 -18.346 1.710 1.00 0.00 N ATOM 713 CA GLY B 1 20.771 -17.113 2.462 1.00 0.00 C ATOM 714 C GLY B 1 21.838 -16.889 3.514 1.00 0.00 C ATOM 715 O GLY B 1 22.367 -17.845 4.089 1.00 0.00 O ATOM 0 H1 GLY B 1 20.114 -18.864 1.600 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.391 -18.112 0.772 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.691 -18.940 2.223 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.751 -16.266 1.777 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.792 -17.160 2.939 1.00 0.00 H new ATOM 719 N SER B 2 22.213 -15.636 3.760 1.00 0.00 N ATOM 720 CA SER B 2 23.212 -15.258 4.749 1.00 0.00 C ATOM 721 C SER B 2 22.910 -13.861 5.295 1.00 0.00 C ATOM 722 O SER B 2 22.349 -13.014 4.592 1.00 0.00 O ATOM 723 CB SER B 2 24.606 -15.346 4.119 1.00 0.00 C ATOM 724 OG SER B 2 24.922 -16.707 3.856 1.00 0.00 O ATOM 0 H SER B 2 21.819 -14.837 3.263 1.00 0.00 H new ATOM 0 HA SER B 2 23.182 -15.945 5.595 1.00 0.00 H new ATOM 0 HB2 SER B 2 24.636 -14.769 3.195 1.00 0.00 H new ATOM 0 HB3 SER B 2 25.348 -14.912 4.789 1.00 0.00 H new ATOM 0 HG SER B 2 24.140 -17.267 4.044 1.00 0.00 H new ATOM 730 N SER B 3 23.276 -13.637 6.556 1.00 0.00 N ATOM 731 CA SER B 3 23.108 -12.413 7.329 1.00 0.00 C ATOM 732 C SER B 3 24.460 -12.023 7.949 1.00 0.00 C ATOM 733 O SER B 3 25.493 -12.579 7.565 1.00 0.00 O ATOM 734 CB SER B 3 22.012 -12.656 8.374 1.00 0.00 C ATOM 735 OG SER B 3 20.731 -12.632 7.773 1.00 0.00 O ATOM 0 H SER B 3 23.733 -14.365 7.104 1.00 0.00 H new ATOM 0 HA SER B 3 22.793 -11.576 6.706 1.00 0.00 H new ATOM 0 HB2 SER B 3 22.173 -13.619 8.859 1.00 0.00 H new ATOM 0 HB3 SER B 3 22.069 -11.894 9.151 1.00 0.00 H new ATOM 0 HG SER B 3 20.046 -12.791 8.456 1.00 0.00 H new ATOM 741 N GLY B 4 24.477 -11.056 8.873 1.00 0.00 N ATOM 742 CA GLY B 4 25.704 -10.589 9.515 1.00 0.00 C ATOM 743 C GLY B 4 26.589 -9.856 8.510 1.00 0.00 C ATOM 744 O GLY B 4 27.803 -9.756 8.690 1.00 0.00 O ATOM 0 H GLY B 4 23.637 -10.576 9.195 1.00 0.00 H new ATOM 0 HA2 GLY B 4 25.458 -9.925 10.343 1.00 0.00 H new ATOM 0 HA3 GLY B 4 26.246 -11.436 9.936 1.00 0.00 H new ATOM 748 N SER B 5 25.972 -9.316 7.467 1.00 0.00 N ATOM 749 CA SER B 5 26.554 -8.602 6.352 1.00 0.00 C ATOM 750 C SER B 5 26.157 -7.121 6.349 1.00 0.00 C ATOM 751 O SER B 5 25.516 -6.622 7.285 1.00 0.00 O ATOM 752 CB SER B 5 26.041 -9.342 5.101 1.00 0.00 C ATOM 753 OG SER B 5 24.641 -9.567 5.221 1.00 0.00 O ATOM 0 H SER B 5 24.958 -9.376 7.378 1.00 0.00 H new ATOM 0 HA SER B 5 27.643 -8.593 6.399 1.00 0.00 H new ATOM 0 HB2 SER B 5 26.250 -8.754 4.207 1.00 0.00 H new ATOM 0 HB3 SER B 5 26.564 -10.292 4.988 1.00 0.00 H new ATOM 0 HG SER B 5 24.316 -10.036 4.424 1.00 0.00 H new ATOM 759 N SER B 6 26.588 -6.415 5.305 1.00 0.00 N ATOM 760 CA SER B 6 26.340 -5.007 5.030 1.00 0.00 C ATOM 761 C SER B 6 24.852 -4.781 4.710 1.00 0.00 C ATOM 762 O SER B 6 24.041 -5.715 4.747 1.00 0.00 O ATOM 763 CB SER B 6 27.252 -4.574 3.858 1.00 0.00 C ATOM 764 OG SER B 6 27.695 -5.660 3.059 1.00 0.00 O ATOM 0 H SER B 6 27.160 -6.846 4.579 1.00 0.00 H new ATOM 0 HA SER B 6 26.573 -4.399 5.904 1.00 0.00 H new ATOM 0 HB2 SER B 6 26.712 -3.866 3.229 1.00 0.00 H new ATOM 0 HB3 SER B 6 28.119 -4.048 4.257 1.00 0.00 H new ATOM 0 HG SER B 6 28.264 -5.323 2.336 1.00 0.00 H new ATOM 770 N GLY B 7 24.470 -3.540 4.403 1.00 0.00 N ATOM 771 CA GLY B 7 23.092 -3.222 4.065 1.00 0.00 C ATOM 772 C GLY B 7 22.720 -3.804 2.688 1.00 0.00 C ATOM 773 O GLY B 7 23.605 -4.068 1.865 1.00 0.00 O ATOM 0 H GLY B 7 25.102 -2.740 4.383 1.00 0.00 H new ATOM 0 HA2 GLY B 7 22.424 -3.623 4.827 1.00 0.00 H new ATOM 0 HA3 GLY B 7 22.955 -2.141 4.057 1.00 0.00 H new ATOM 777 N PRO B 8 21.419 -3.944 2.386 1.00 0.00 N ATOM 778 CA PRO B 8 20.927 -4.478 1.116 1.00 0.00 C ATOM 779 C PRO B 8 21.230 -3.561 -0.074 1.00 0.00 C ATOM 780 O PRO B 8 21.675 -4.036 -1.118 1.00 0.00 O ATOM 781 CB PRO B 8 19.414 -4.640 1.306 1.00 0.00 C ATOM 782 CG PRO B 8 19.071 -3.658 2.421 1.00 0.00 C ATOM 783 CD PRO B 8 20.320 -3.659 3.290 1.00 0.00 C ATOM 0 HA PRO B 8 21.424 -5.419 0.879 1.00 0.00 H new ATOM 0 HB2 PRO B 8 18.870 -4.409 0.390 1.00 0.00 H new ATOM 0 HB3 PRO B 8 19.154 -5.662 1.581 1.00 0.00 H new ATOM 0 HG2 PRO B 8 18.856 -2.664 2.029 1.00 0.00 H new ATOM 0 HG3 PRO B 8 18.192 -3.977 2.981 1.00 0.00 H new ATOM 0 HD2 PRO B 8 20.456 -2.696 3.783 1.00 0.00 H new ATOM 0 HD3 PRO B 8 20.252 -4.412 4.075 1.00 0.00 H new ATOM 791 N LEU B 9 20.920 -2.270 0.058 1.00 0.00 N ATOM 792 CA LEU B 9 21.100 -1.190 -0.906 1.00 0.00 C ATOM 793 C LEU B 9 20.682 0.109 -0.210 1.00 0.00 C ATOM 794 O LEU B 9 20.101 0.059 0.883 1.00 0.00 O ATOM 795 CB LEU B 9 20.337 -1.437 -2.234 1.00 0.00 C ATOM 796 CG LEU B 9 18.893 -1.990 -2.170 1.00 0.00 C ATOM 797 CD1 LEU B 9 17.901 -0.958 -1.653 1.00 0.00 C ATOM 798 CD2 LEU B 9 18.410 -2.416 -3.562 1.00 0.00 C ATOM 0 H LEU B 9 20.499 -1.926 0.921 1.00 0.00 H new ATOM 0 HA LEU B 9 22.145 -1.129 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU B 9 20.305 -0.493 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU B 9 20.930 -2.129 -2.832 1.00 0.00 H new ATOM 0 HG LEU B 9 18.931 -2.839 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU B 9 16.902 -1.394 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU B 9 18.188 -0.649 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU B 9 17.901 -0.091 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU B 9 17.393 -2.801 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU B 9 18.427 -1.556 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU B 9 19.066 -3.194 -3.953 1.00 0.00 H new ATOM 810 N GLU B 10 20.982 1.263 -0.813 1.00 0.00 N ATOM 811 CA GLU B 10 20.630 2.568 -0.254 1.00 0.00 C ATOM 812 C GLU B 10 19.109 2.735 -0.152 1.00 0.00 C ATOM 813 O GLU B 10 18.338 1.987 -0.753 1.00 0.00 O ATOM 814 CB GLU B 10 21.263 3.711 -1.074 1.00 0.00 C ATOM 815 CG GLU B 10 22.476 4.347 -0.376 1.00 0.00 C ATOM 816 CD GLU B 10 22.172 4.936 1.012 1.00 0.00 C ATOM 817 OE1 GLU B 10 20.990 5.177 1.360 1.00 0.00 O ATOM 818 OE2 GLU B 10 23.130 5.133 1.795 1.00 0.00 O ATOM 0 H GLU B 10 21.476 1.317 -1.704 1.00 0.00 H new ATOM 0 HA GLU B 10 21.036 2.618 0.756 1.00 0.00 H new ATOM 0 HB2 GLU B 10 21.570 3.327 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU B 10 20.512 4.479 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU B 10 23.258 3.594 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU B 10 22.874 5.137 -1.013 1.00 0.00 H new ATOM 825 N ARG B 11 18.667 3.764 0.570 1.00 0.00 N ATOM 826 CA ARG B 11 17.251 4.057 0.803 1.00 0.00 C ATOM 827 C ARG B 11 16.799 5.449 0.389 1.00 0.00 C ATOM 828 O ARG B 11 15.610 5.750 0.496 1.00 0.00 O ATOM 829 CB ARG B 11 16.934 3.754 2.271 1.00 0.00 C ATOM 830 CG ARG B 11 17.751 4.622 3.241 1.00 0.00 C ATOM 831 CD ARG B 11 17.724 3.989 4.625 1.00 0.00 C ATOM 832 NE ARG B 11 18.520 4.769 5.574 1.00 0.00 N ATOM 833 CZ ARG B 11 19.515 4.327 6.347 1.00 0.00 C ATOM 834 NH1 ARG B 11 20.011 3.099 6.228 1.00 0.00 N ATOM 835 NH2 ARG B 11 20.017 5.136 7.268 1.00 0.00 N ATOM 0 H ARG B 11 19.295 4.431 1.019 1.00 0.00 H new ATOM 0 HA ARG B 11 16.672 3.410 0.144 1.00 0.00 H new ATOM 0 HB2 ARG B 11 15.871 3.916 2.451 1.00 0.00 H new ATOM 0 HB3 ARG B 11 17.135 2.702 2.473 1.00 0.00 H new ATOM 0 HG2 ARG B 11 18.779 4.712 2.889 1.00 0.00 H new ATOM 0 HG3 ARG B 11 17.338 5.630 3.281 1.00 0.00 H new ATOM 0 HD2 ARG B 11 16.695 3.921 4.978 1.00 0.00 H new ATOM 0 HD3 ARG B 11 18.110 2.971 4.571 1.00 0.00 H new ATOM 0 HE ARG B 11 18.289 5.759 5.654 1.00 0.00 H new ATOM 0 HH11 ARG B 11 19.631 2.461 5.529 1.00 0.00 H new ATOM 0 HH12 ARG B 11 20.772 2.795 6.836 1.00 0.00 H new ATOM 0 HH21 ARG B 11 19.643 6.079 7.377 1.00 0.00 H new ATOM 0 HH22 ARG B 11 20.777 4.816 7.868 1.00 0.00 H new ATOM 849 N GLU B 12 17.709 6.277 -0.120 1.00 0.00 N ATOM 850 CA GLU B 12 17.408 7.638 -0.561 1.00 0.00 C ATOM 851 C GLU B 12 16.380 7.703 -1.709 1.00 0.00 C ATOM 852 O GLU B 12 15.848 8.784 -1.991 1.00 0.00 O ATOM 853 CB GLU B 12 18.708 8.347 -0.967 1.00 0.00 C ATOM 854 CG GLU B 12 19.481 7.630 -2.086 1.00 0.00 C ATOM 855 CD GLU B 12 20.407 8.604 -2.807 1.00 0.00 C ATOM 856 OE1 GLU B 12 21.327 9.156 -2.178 1.00 0.00 O ATOM 857 OE2 GLU B 12 20.163 8.893 -4.006 1.00 0.00 O ATOM 0 H GLU B 12 18.688 6.019 -0.239 1.00 0.00 H new ATOM 0 HA GLU B 12 16.946 8.148 0.284 1.00 0.00 H new ATOM 0 HB2 GLU B 12 18.472 9.360 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU B 12 19.352 8.435 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU B 12 20.063 6.810 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU B 12 18.780 7.192 -2.797 1.00 0.00 H new ATOM 864 N GLY B 13 16.113 6.575 -2.375 1.00 0.00 N ATOM 865 CA GLY B 13 15.186 6.418 -3.483 1.00 0.00 C ATOM 866 C GLY B 13 14.633 4.991 -3.503 1.00 0.00 C ATOM 867 O GLY B 13 14.920 4.186 -2.606 1.00 0.00 O ATOM 0 H GLY B 13 16.571 5.696 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY B 13 14.368 7.133 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY B 13 15.691 6.635 -4.424 1.00 0.00 H new ATOM 871 N LEU B 14 13.839 4.667 -4.526 1.00 0.00 N ATOM 872 CA LEU B 14 13.197 3.370 -4.731 1.00 0.00 C ATOM 873 C LEU B 14 13.222 2.975 -6.208 1.00 0.00 C ATOM 874 O LEU B 14 13.371 3.842 -7.070 1.00 0.00 O ATOM 875 CB LEU B 14 11.722 3.472 -4.290 1.00 0.00 C ATOM 876 CG LEU B 14 11.505 3.411 -2.774 1.00 0.00 C ATOM 877 CD1 LEU B 14 10.046 3.709 -2.448 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.803 2.019 -2.211 1.00 0.00 C ATOM 0 H LEU B 14 13.617 5.333 -5.266 1.00 0.00 H new ATOM 0 HA LEU B 14 13.736 2.622 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU B 14 11.308 4.407 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU B 14 11.160 2.664 -4.757 1.00 0.00 H new ATOM 0 HG LEU B 14 12.180 4.144 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU B 14 9.898 3.664 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU B 14 9.789 4.705 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU B 14 9.407 2.971 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU B 14 11.637 2.019 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU B 14 11.144 1.288 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.841 1.757 -2.418 1.00 0.00 H new ATOM 890 N PRO B 15 13.101 1.676 -6.536 1.00 0.00 N ATOM 891 CA PRO B 15 13.078 1.229 -7.926 1.00 0.00 C ATOM 892 C PRO B 15 11.728 1.593 -8.585 1.00 0.00 C ATOM 893 O PRO B 15 10.779 1.958 -7.881 1.00 0.00 O ATOM 894 CB PRO B 15 13.283 -0.285 -7.857 1.00 0.00 C ATOM 895 CG PRO B 15 12.716 -0.671 -6.501 1.00 0.00 C ATOM 896 CD PRO B 15 12.955 0.548 -5.621 1.00 0.00 C ATOM 0 HA PRO B 15 13.848 1.706 -8.533 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.763 -0.796 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.337 -0.549 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.654 -0.908 -6.569 1.00 0.00 H new ATOM 0 HG3 PRO B 15 13.215 -1.553 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO B 15 12.122 0.705 -4.936 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.849 0.421 -5.011 1.00 0.00 H new ATOM 904 N PRO B 16 11.606 1.482 -9.918 1.00 0.00 N ATOM 905 CA PRO B 16 10.373 1.796 -10.629 1.00 0.00 C ATOM 906 C PRO B 16 9.287 0.807 -10.193 1.00 0.00 C ATOM 907 O PRO B 16 9.525 -0.404 -10.127 1.00 0.00 O ATOM 908 CB PRO B 16 10.719 1.710 -12.120 1.00 0.00 C ATOM 909 CG PRO B 16 11.928 0.782 -12.172 1.00 0.00 C ATOM 910 CD PRO B 16 12.639 1.059 -10.847 1.00 0.00 C ATOM 0 HA PRO B 16 9.980 2.789 -10.412 1.00 0.00 H new ATOM 0 HB2 PRO B 16 9.886 1.312 -12.699 1.00 0.00 H new ATOM 0 HB3 PRO B 16 10.953 2.692 -12.532 1.00 0.00 H new ATOM 0 HG2 PRO B 16 11.630 -0.263 -12.258 1.00 0.00 H new ATOM 0 HG3 PRO B 16 12.568 1.002 -13.026 1.00 0.00 H new ATOM 0 HD2 PRO B 16 13.148 0.166 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.397 1.833 -10.966 1.00 0.00 H new ATOM 918 N GLY B 17 8.098 1.313 -9.880 1.00 0.00 N ATOM 919 CA GLY B 17 6.957 0.528 -9.431 1.00 0.00 C ATOM 920 C GLY B 17 6.866 0.472 -7.904 1.00 0.00 C ATOM 921 O GLY B 17 5.811 0.121 -7.368 1.00 0.00 O ATOM 0 H GLY B 17 7.898 2.312 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY B 17 6.040 0.958 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.035 -0.484 -9.827 1.00 0.00 H new ATOM 925 N TRP B 18 7.947 0.762 -7.176 1.00 0.00 N ATOM 926 CA TRP B 18 7.929 0.746 -5.723 1.00 0.00 C ATOM 927 C TRP B 18 7.619 2.144 -5.234 1.00 0.00 C ATOM 928 O TRP B 18 8.240 3.118 -5.655 1.00 0.00 O ATOM 929 CB TRP B 18 9.245 0.251 -5.146 1.00 0.00 C ATOM 930 CG TRP B 18 9.294 -1.233 -5.006 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.606 -2.106 -5.987 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.953 -2.036 -3.836 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.530 -3.386 -5.490 1.00 0.00 N ATOM 934 CE2 TRP B 18 9.134 -3.408 -4.170 1.00 0.00 C ATOM 935 CE3 TRP B 18 8.509 -1.743 -2.527 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.915 -4.438 -3.243 1.00 0.00 C ATOM 937 CZ3 TRP B 18 8.288 -2.764 -1.579 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.511 -4.109 -1.936 1.00 0.00 C ATOM 0 H TRP B 18 8.850 1.012 -7.579 1.00 0.00 H new ATOM 0 HA TRP B 18 7.161 0.051 -5.384 1.00 0.00 H new ATOM 0 HB2 TRP B 18 10.063 0.578 -5.788 1.00 0.00 H new ATOM 0 HB3 TRP B 18 9.403 0.709 -4.169 1.00 0.00 H new ATOM 0 HD1 TRP B 18 9.873 -1.842 -7.000 1.00 0.00 H new ATOM 0 HE1 TRP B 18 9.742 -4.222 -6.035 1.00 0.00 H new ATOM 0 HE3 TRP B 18 8.335 -0.715 -2.246 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 9.055 -5.470 -3.529 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.949 -2.516 -0.584 1.00 0.00 H new ATOM 0 HH2 TRP B 18 8.371 -4.890 -1.203 1.00 0.00 H new ATOM 949 N GLU B 19 6.683 2.207 -4.297 1.00 0.00 N ATOM 950 CA GLU B 19 6.218 3.444 -3.687 1.00 0.00 C ATOM 951 C GLU B 19 6.254 3.280 -2.166 1.00 0.00 C ATOM 952 O GLU B 19 6.297 2.154 -1.648 1.00 0.00 O ATOM 953 CB GLU B 19 4.813 3.711 -4.252 1.00 0.00 C ATOM 954 CG GLU B 19 3.985 4.891 -3.724 1.00 0.00 C ATOM 955 CD GLU B 19 4.657 6.267 -3.811 1.00 0.00 C ATOM 956 OE1 GLU B 19 5.791 6.423 -3.293 1.00 0.00 O ATOM 957 OE2 GLU B 19 4.026 7.211 -4.331 1.00 0.00 O ATOM 0 H GLU B 19 6.215 1.378 -3.931 1.00 0.00 H new ATOM 0 HA GLU B 19 6.846 4.306 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.916 3.844 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.224 2.807 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU B 19 3.047 4.930 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.732 4.696 -2.682 1.00 0.00 H new ATOM 964 N ARG B 20 6.269 4.400 -1.446 1.00 0.00 N ATOM 965 CA ARG B 20 6.294 4.466 0.003 1.00 0.00 C ATOM 966 C ARG B 20 5.055 5.242 0.414 1.00 0.00 C ATOM 967 O ARG B 20 4.843 6.384 0.007 1.00 0.00 O ATOM 968 CB ARG B 20 7.589 5.136 0.457 1.00 0.00 C ATOM 969 CG ARG B 20 7.833 4.984 1.965 1.00 0.00 C ATOM 970 CD ARG B 20 9.139 5.657 2.419 1.00 0.00 C ATOM 971 NE ARG B 20 9.050 7.120 2.325 1.00 0.00 N ATOM 972 CZ ARG B 20 9.273 7.868 1.241 1.00 0.00 C ATOM 973 NH1 ARG B 20 9.974 7.414 0.206 1.00 0.00 N ATOM 974 NH2 ARG B 20 8.738 9.072 1.205 1.00 0.00 N ATOM 0 H ARG B 20 6.264 5.323 -1.881 1.00 0.00 H new ATOM 0 HA ARG B 20 6.278 3.482 0.472 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.428 4.704 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.555 6.195 0.203 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.995 5.418 2.511 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.866 3.925 2.220 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.359 5.370 3.447 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.966 5.301 1.804 1.00 0.00 H new ATOM 0 HE ARG B 20 8.791 7.617 3.177 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.359 6.470 0.226 1.00 0.00 H new ATOM 0 HH12 ARG B 20 10.127 8.010 -0.607 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.176 9.404 1.989 1.00 0.00 H new ATOM 0 HH22 ARG B 20 8.886 9.672 0.394 1.00 0.00 H new ATOM 988 N VAL B 21 4.224 4.590 1.206 1.00 0.00 N ATOM 989 CA VAL B 21 2.979 5.131 1.710 1.00 0.00 C ATOM 990 C VAL B 21 3.235 5.546 3.148 1.00 0.00 C ATOM 991 O VAL B 21 3.835 4.797 3.921 1.00 0.00 O ATOM 992 CB VAL B 21 1.881 4.065 1.572 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.581 4.483 2.271 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.590 3.786 0.089 1.00 0.00 C ATOM 0 H VAL B 21 4.405 3.638 1.526 1.00 0.00 H new ATOM 0 HA VAL B 21 2.635 6.002 1.152 1.00 0.00 H new ATOM 0 HB VAL B 21 2.252 3.161 2.055 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.167 3.700 2.147 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.772 4.638 3.333 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.212 5.409 1.830 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.810 3.029 0.007 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.257 4.704 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.497 3.427 -0.398 1.00 0.00 H new ATOM 1004 N GLU B 22 2.788 6.743 3.503 1.00 0.00 N ATOM 1005 CA GLU B 22 2.937 7.299 4.830 1.00 0.00 C ATOM 1006 C GLU B 22 1.551 7.676 5.333 1.00 0.00 C ATOM 1007 O GLU B 22 0.662 8.020 4.550 1.00 0.00 O ATOM 1008 CB GLU B 22 3.950 8.446 4.794 1.00 0.00 C ATOM 1009 CG GLU B 22 3.505 9.689 4.006 1.00 0.00 C ATOM 1010 CD GLU B 22 4.712 10.538 3.607 1.00 0.00 C ATOM 1011 OE1 GLU B 22 5.641 10.720 4.429 1.00 0.00 O ATOM 1012 OE2 GLU B 22 4.808 10.942 2.424 1.00 0.00 O ATOM 0 H GLU B 22 2.301 7.364 2.857 1.00 0.00 H new ATOM 0 HA GLU B 22 3.348 6.584 5.543 1.00 0.00 H new ATOM 0 HB2 GLU B 22 4.172 8.745 5.818 1.00 0.00 H new ATOM 0 HB3 GLU B 22 4.879 8.075 4.362 1.00 0.00 H new ATOM 0 HG2 GLU B 22 2.958 9.383 3.114 1.00 0.00 H new ATOM 0 HG3 GLU B 22 2.820 10.283 4.611 1.00 0.00 H new ATOM 1019 N SER B 23 1.373 7.612 6.644 1.00 0.00 N ATOM 1020 CA SER B 23 0.102 7.916 7.292 1.00 0.00 C ATOM 1021 C SER B 23 0.261 8.493 8.691 1.00 0.00 C ATOM 1022 O SER B 23 1.373 8.575 9.221 1.00 0.00 O ATOM 1023 CB SER B 23 -0.648 6.580 7.414 1.00 0.00 C ATOM 1024 OG SER B 23 0.100 5.632 8.160 1.00 0.00 O ATOM 0 H SER B 23 2.112 7.346 7.295 1.00 0.00 H new ATOM 0 HA SER B 23 -0.421 8.665 6.697 1.00 0.00 H new ATOM 0 HB2 SER B 23 -1.612 6.745 7.895 1.00 0.00 H new ATOM 0 HB3 SER B 23 -0.852 6.183 6.419 1.00 0.00 H new ATOM 0 HG SER B 23 1.008 5.572 7.796 1.00 0.00 H new ATOM 1030 N SER B 24 -0.867 8.873 9.287 1.00 0.00 N ATOM 1031 CA SER B 24 -0.946 9.374 10.654 1.00 0.00 C ATOM 1032 C SER B 24 -1.612 8.293 11.519 1.00 0.00 C ATOM 1033 O SER B 24 -1.576 8.362 12.746 1.00 0.00 O ATOM 1034 CB SER B 24 -1.793 10.643 10.732 1.00 0.00 C ATOM 1035 OG SER B 24 -1.266 11.705 9.951 1.00 0.00 O ATOM 0 H SER B 24 -1.773 8.840 8.820 1.00 0.00 H new ATOM 0 HA SER B 24 0.060 9.607 11.003 1.00 0.00 H new ATOM 0 HB2 SER B 24 -2.806 10.420 10.397 1.00 0.00 H new ATOM 0 HB3 SER B 24 -1.865 10.963 11.771 1.00 0.00 H new ATOM 0 HG SER B 24 -1.845 12.491 10.034 1.00 0.00 H new ATOM 1041 N GLU B 25 -2.215 7.278 10.892 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.918 6.203 11.561 1.00 0.00 C ATOM 1043 C GLU B 25 -2.056 4.961 11.822 1.00 0.00 C ATOM 1044 O GLU B 25 -2.413 4.169 12.700 1.00 0.00 O ATOM 1045 CB GLU B 25 -4.110 5.831 10.659 1.00 0.00 C ATOM 1046 CG GLU B 25 -5.288 5.193 11.404 1.00 0.00 C ATOM 1047 CD GLU B 25 -6.019 6.216 12.275 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -6.521 7.233 11.742 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -6.099 6.025 13.508 1.00 0.00 O ATOM 0 H GLU B 25 -2.222 7.188 9.876 1.00 0.00 H new ATOM 0 HA GLU B 25 -3.225 6.550 12.547 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.460 6.729 10.150 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.766 5.142 9.888 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.984 4.762 10.685 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.926 4.375 12.027 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.934 4.782 11.111 1.00 0.00 N ATOM 1057 CA PHE B 26 -0.073 3.606 11.271 1.00 0.00 C ATOM 1058 C PHE B 26 1.414 3.942 11.342 1.00 0.00 C ATOM 1059 O PHE B 26 2.098 3.505 12.265 1.00 0.00 O ATOM 1060 CB PHE B 26 -0.338 2.617 10.126 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.807 2.350 9.849 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.554 1.499 10.681 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.436 2.972 8.758 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.930 1.315 10.449 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.790 2.742 8.489 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.553 1.948 9.358 1.00 0.00 C ATOM 0 H PHE B 26 -0.600 5.446 10.412 1.00 0.00 H new ATOM 0 HA PHE B 26 -0.328 3.157 12.231 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.126 3.001 9.217 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.152 1.672 10.359 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -2.072 0.985 11.500 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.869 3.634 8.120 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -4.509 0.687 11.110 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.248 3.176 7.612 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.613 1.823 9.190 1.00 0.00 H new ATOM 1076 N GLY B 27 1.928 4.683 10.364 1.00 0.00 N ATOM 1077 CA GLY B 27 3.305 5.093 10.252 1.00 0.00 C ATOM 1078 C GLY B 27 3.606 5.146 8.765 1.00 0.00 C ATOM 1079 O GLY B 27 2.789 5.634 7.983 1.00 0.00 O ATOM 0 H GLY B 27 1.356 5.026 9.593 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.461 6.067 10.717 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.964 4.388 10.759 1.00 0.00 H new ATOM 1083 N THR B 28 4.740 4.606 8.361 1.00 0.00 N ATOM 1084 CA THR B 28 5.188 4.579 6.977 1.00 0.00 C ATOM 1085 C THR B 28 5.623 3.169 6.592 1.00 0.00 C ATOM 1086 O THR B 28 6.268 2.459 7.368 1.00 0.00 O ATOM 1087 CB THR B 28 6.321 5.608 6.793 1.00 0.00 C ATOM 1088 OG1 THR B 28 5.848 6.902 7.109 1.00 0.00 O ATOM 1089 CG2 THR B 28 6.925 5.644 5.385 1.00 0.00 C ATOM 0 H THR B 28 5.395 4.161 9.003 1.00 0.00 H new ATOM 0 HA THR B 28 4.370 4.853 6.311 1.00 0.00 H new ATOM 0 HB THR B 28 7.114 5.289 7.469 1.00 0.00 H new ATOM 0 HG1 THR B 28 6.572 7.552 6.992 1.00 0.00 H new ATOM 0 HG21 THR B 28 7.714 6.395 5.347 1.00 0.00 H new ATOM 0 HG22 THR B 28 7.343 4.667 5.143 1.00 0.00 H new ATOM 0 HG23 THR B 28 6.149 5.896 4.662 1.00 0.00 H new ATOM 1097 N TYR B 29 5.244 2.759 5.387 1.00 0.00 N ATOM 1098 CA TYR B 29 5.587 1.456 4.818 1.00 0.00 C ATOM 1099 C TYR B 29 5.749 1.573 3.302 1.00 0.00 C ATOM 1100 O TYR B 29 5.548 2.637 2.722 1.00 0.00 O ATOM 1101 CB TYR B 29 4.559 0.391 5.219 1.00 0.00 C ATOM 1102 CG TYR B 29 3.147 0.700 4.792 1.00 0.00 C ATOM 1103 CD1 TYR B 29 2.716 0.427 3.479 1.00 0.00 C ATOM 1104 CD2 TYR B 29 2.260 1.259 5.724 1.00 0.00 C ATOM 1105 CE1 TYR B 29 1.415 0.765 3.078 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.950 1.558 5.335 1.00 0.00 C ATOM 1107 CZ TYR B 29 0.526 1.349 4.007 1.00 0.00 C ATOM 1108 OH TYR B 29 -0.730 1.709 3.631 1.00 0.00 O ATOM 0 H TYR B 29 4.678 3.334 4.763 1.00 0.00 H new ATOM 0 HA TYR B 29 6.543 1.129 5.226 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.856 -0.565 4.787 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.581 0.272 6.302 1.00 0.00 H new ATOM 0 HD1 TYR B 29 3.390 -0.044 2.779 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.586 1.457 6.734 1.00 0.00 H new ATOM 0 HE1 TYR B 29 1.095 0.579 2.063 1.00 0.00 H new ATOM 0 HE2 TYR B 29 0.255 1.954 6.061 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.203 2.094 4.398 1.00 0.00 H new ATOM 1118 N TYR B 30 6.088 0.472 2.637 1.00 0.00 N ATOM 1119 CA TYR B 30 6.298 0.420 1.196 1.00 0.00 C ATOM 1120 C TYR B 30 5.303 -0.527 0.551 1.00 0.00 C ATOM 1121 O TYR B 30 4.817 -1.456 1.210 1.00 0.00 O ATOM 1122 CB TYR B 30 7.730 -0.037 0.910 1.00 0.00 C ATOM 1123 CG TYR B 30 8.793 0.813 1.567 1.00 0.00 C ATOM 1124 CD1 TYR B 30 9.104 0.612 2.923 1.00 0.00 C ATOM 1125 CD2 TYR B 30 9.439 1.825 0.840 1.00 0.00 C ATOM 1126 CE1 TYR B 30 10.056 1.416 3.557 1.00 0.00 C ATOM 1127 CE2 TYR B 30 10.443 2.597 1.452 1.00 0.00 C ATOM 1128 CZ TYR B 30 10.756 2.388 2.815 1.00 0.00 C ATOM 1129 OH TYR B 30 11.725 3.127 3.411 1.00 0.00 O ATOM 0 H TYR B 30 6.227 -0.428 3.097 1.00 0.00 H new ATOM 0 HA TYR B 30 6.146 1.413 0.774 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.845 -1.067 1.246 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.892 -0.034 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.605 -0.168 3.478 1.00 0.00 H new ATOM 0 HD2 TYR B 30 9.166 2.011 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR B 30 10.254 1.293 4.611 1.00 0.00 H new ATOM 0 HE2 TYR B 30 10.973 3.347 0.883 1.00 0.00 H new ATOM 0 HH TYR B 30 12.109 3.750 2.759 1.00 0.00 H new ATOM 1139 N VAL B 31 5.024 -0.313 -0.735 1.00 0.00 N ATOM 1140 CA VAL B 31 4.105 -1.127 -1.514 1.00 0.00 C ATOM 1141 C VAL B 31 4.848 -1.682 -2.710 1.00 0.00 C ATOM 1142 O VAL B 31 5.578 -0.966 -3.399 1.00 0.00 O ATOM 1143 CB VAL B 31 2.852 -0.345 -1.967 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.883 -1.285 -2.713 1.00 0.00 C ATOM 1145 CG2 VAL B 31 2.198 0.319 -0.746 1.00 0.00 C ATOM 0 H VAL B 31 5.442 0.448 -1.271 1.00 0.00 H new ATOM 0 HA VAL B 31 3.744 -1.937 -0.880 1.00 0.00 H new ATOM 0 HB VAL B 31 3.132 0.444 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.003 -0.725 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.381 -1.701 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.579 -2.095 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL B 31 1.313 0.872 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.909 -0.447 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.907 1.004 -0.281 1.00 0.00 H new ATOM 1155 N ASP B 32 4.631 -2.966 -2.954 1.00 0.00 N ATOM 1156 CA ASP B 32 5.218 -3.687 -4.058 1.00 0.00 C ATOM 1157 C ASP B 32 4.134 -3.860 -5.100 1.00 0.00 C ATOM 1158 O ASP B 32 3.214 -4.651 -4.893 1.00 0.00 O ATOM 1159 CB ASP B 32 5.670 -5.077 -3.604 1.00 0.00 C ATOM 1160 CG ASP B 32 6.339 -5.854 -4.735 1.00 0.00 C ATOM 1161 OD1 ASP B 32 6.527 -5.305 -5.846 1.00 0.00 O ATOM 1162 OD2 ASP B 32 6.639 -7.042 -4.515 1.00 0.00 O ATOM 0 H ASP B 32 4.025 -3.544 -2.371 1.00 0.00 H new ATOM 0 HA ASP B 32 6.079 -3.143 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.365 -4.979 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.810 -5.637 -3.238 1.00 0.00 H new ATOM 1167 N HIS B 33 4.188 -3.109 -6.193 1.00 0.00 N ATOM 1168 CA HIS B 33 3.183 -3.237 -7.242 1.00 0.00 C ATOM 1169 C HIS B 33 3.291 -4.575 -7.975 1.00 0.00 C ATOM 1170 O HIS B 33 2.307 -5.002 -8.579 1.00 0.00 O ATOM 1171 CB HIS B 33 3.294 -2.069 -8.224 1.00 0.00 C ATOM 1172 CG HIS B 33 2.197 -1.062 -8.031 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.834 -1.299 -8.221 1.00 0.00 N ATOM 1174 CD2 HIS B 33 2.370 0.226 -7.644 1.00 0.00 C ATOM 1175 CE1 HIS B 33 0.225 -0.115 -8.011 1.00 0.00 C ATOM 1176 NE2 HIS B 33 1.127 0.801 -7.633 1.00 0.00 N ATOM 0 H HIS B 33 4.909 -2.411 -6.376 1.00 0.00 H new ATOM 0 HA HIS B 33 2.202 -3.209 -6.768 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.260 -1.580 -8.098 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.260 -2.450 -9.245 1.00 0.00 H new ATOM 0 HD2 HIS B 33 3.305 0.705 -7.393 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -0.833 0.068 -8.130 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.922 1.767 -7.379 1.00 0.00 H new ATOM 1184 N THR B 34 4.441 -5.252 -7.907 1.00 0.00 N ATOM 1185 CA THR B 34 4.664 -6.528 -8.566 1.00 0.00 C ATOM 1186 C THR B 34 3.940 -7.675 -7.847 1.00 0.00 C ATOM 1187 O THR B 34 3.431 -8.581 -8.506 1.00 0.00 O ATOM 1188 CB THR B 34 6.182 -6.778 -8.614 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.878 -5.693 -9.218 1.00 0.00 O ATOM 1190 CG2 THR B 34 6.526 -8.037 -9.394 1.00 0.00 C ATOM 0 H THR B 34 5.250 -4.918 -7.384 1.00 0.00 H new ATOM 0 HA THR B 34 4.255 -6.492 -9.576 1.00 0.00 H new ATOM 0 HB THR B 34 6.493 -6.889 -7.575 1.00 0.00 H new ATOM 0 HG1 THR B 34 7.839 -5.886 -9.229 1.00 0.00 H new ATOM 0 HG21 THR B 34 7.607 -8.175 -9.403 1.00 0.00 H new ATOM 0 HG22 THR B 34 6.054 -8.898 -8.921 1.00 0.00 H new ATOM 0 HG23 THR B 34 6.164 -7.941 -10.418 1.00 0.00 H new ATOM 1198 N ASN B 35 3.835 -7.641 -6.512 1.00 0.00 N ATOM 1199 CA ASN B 35 3.182 -8.702 -5.729 1.00 0.00 C ATOM 1200 C ASN B 35 1.936 -8.230 -4.997 1.00 0.00 C ATOM 1201 O ASN B 35 1.184 -9.051 -4.472 1.00 0.00 O ATOM 1202 CB ASN B 35 4.147 -9.285 -4.693 1.00 0.00 C ATOM 1203 CG ASN B 35 5.205 -10.153 -5.328 1.00 0.00 C ATOM 1204 OD1 ASN B 35 4.963 -11.337 -5.548 1.00 0.00 O ATOM 1205 ND2 ASN B 35 6.358 -9.590 -5.621 1.00 0.00 N ATOM 0 H ASN B 35 4.200 -6.877 -5.943 1.00 0.00 H new ATOM 0 HA ASN B 35 2.886 -9.458 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.626 -8.472 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.586 -9.872 -3.966 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.100 -10.142 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.509 -8.602 -5.418 1.00 0.00 H new ATOM 1212 N LYS B 36 1.695 -6.921 -4.971 1.00 0.00 N ATOM 1213 CA LYS B 36 0.568 -6.266 -4.317 1.00 0.00 C ATOM 1214 C LYS B 36 0.613 -6.564 -2.825 1.00 0.00 C ATOM 1215 O LYS B 36 -0.373 -7.013 -2.234 1.00 0.00 O ATOM 1216 CB LYS B 36 -0.739 -6.642 -5.032 1.00 0.00 C ATOM 1217 CG LYS B 36 -0.723 -6.174 -6.495 1.00 0.00 C ATOM 1218 CD LYS B 36 -1.432 -4.842 -6.714 1.00 0.00 C ATOM 1219 CE LYS B 36 -2.962 -4.948 -6.665 1.00 0.00 C ATOM 1220 NZ LYS B 36 -3.502 -5.943 -7.618 1.00 0.00 N ATOM 0 H LYS B 36 2.315 -6.254 -5.431 1.00 0.00 H new ATOM 0 HA LYS B 36 0.627 -5.181 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -0.880 -7.722 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.584 -6.191 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS B 36 0.311 -6.086 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -1.195 -6.935 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -1.100 -4.134 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -1.135 -4.436 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -3.270 -5.216 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -3.396 -3.972 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -4.256 -5.506 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -2.741 -6.271 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -3.889 -6.752 -7.092 1.00 0.00 H new ATOM 1234 N ARG B 37 1.785 -6.349 -2.219 1.00 0.00 N ATOM 1235 CA ARG B 37 2.041 -6.566 -0.796 1.00 0.00 C ATOM 1236 C ARG B 37 2.510 -5.256 -0.167 1.00 0.00 C ATOM 1237 O ARG B 37 2.925 -4.338 -0.880 1.00 0.00 O ATOM 1238 CB ARG B 37 3.086 -7.691 -0.597 1.00 0.00 C ATOM 1239 CG ARG B 37 2.625 -9.053 -1.145 1.00 0.00 C ATOM 1240 CD ARG B 37 3.522 -10.245 -0.754 1.00 0.00 C ATOM 1241 NE ARG B 37 4.845 -10.238 -1.417 1.00 0.00 N ATOM 1242 CZ ARG B 37 5.522 -11.306 -1.874 1.00 0.00 C ATOM 1243 NH1 ARG B 37 5.081 -12.549 -1.720 1.00 0.00 N ATOM 1244 NH2 ARG B 37 6.669 -11.140 -2.515 1.00 0.00 N ATOM 0 H ARG B 37 2.605 -6.009 -2.722 1.00 0.00 H new ATOM 0 HA ARG B 37 1.122 -6.884 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG B 37 4.016 -7.405 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG B 37 3.305 -7.790 0.466 1.00 0.00 H new ATOM 0 HG2 ARG B 37 1.612 -9.247 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.577 -8.994 -2.232 1.00 0.00 H new ATOM 0 HD2 ARG B 37 3.667 -10.240 0.326 1.00 0.00 H new ATOM 0 HD3 ARG B 37 3.006 -11.173 -1.002 1.00 0.00 H new ATOM 0 HE ARG B 37 5.290 -9.328 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG B 37 4.198 -12.721 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG B 37 5.626 -13.332 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG B 37 7.040 -10.201 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG B 37 7.182 -11.951 -2.861 1.00 0.00 H new ATOM 1258 N ALA B 38 2.410 -5.156 1.162 1.00 0.00 N ATOM 1259 CA ALA B 38 2.825 -4.010 1.970 1.00 0.00 C ATOM 1260 C ALA B 38 3.920 -4.557 2.888 1.00 0.00 C ATOM 1261 O ALA B 38 3.804 -5.686 3.381 1.00 0.00 O ATOM 1262 CB ALA B 38 1.685 -3.400 2.815 1.00 0.00 C ATOM 0 H ALA B 38 2.019 -5.909 1.728 1.00 0.00 H new ATOM 0 HA ALA B 38 3.158 -3.198 1.323 1.00 0.00 H new ATOM 0 HB1 ALA B 38 2.068 -2.555 3.387 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.886 -3.060 2.156 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.295 -4.154 3.499 1.00 0.00 H new ATOM 1268 N GLN B 39 4.979 -3.789 3.114 1.00 0.00 N ATOM 1269 CA GLN B 39 6.083 -4.178 3.983 1.00 0.00 C ATOM 1270 C GLN B 39 6.665 -2.914 4.593 1.00 0.00 C ATOM 1271 O GLN B 39 6.828 -1.912 3.905 1.00 0.00 O ATOM 1272 CB GLN B 39 7.135 -5.019 3.241 1.00 0.00 C ATOM 1273 CG GLN B 39 7.567 -4.456 1.881 1.00 0.00 C ATOM 1274 CD GLN B 39 8.809 -5.176 1.375 1.00 0.00 C ATOM 1275 OE1 GLN B 39 8.764 -6.319 0.924 1.00 0.00 O ATOM 1276 NE2 GLN B 39 9.958 -4.533 1.440 1.00 0.00 N ATOM 0 H GLN B 39 5.097 -2.867 2.694 1.00 0.00 H new ATOM 0 HA GLN B 39 5.719 -4.827 4.779 1.00 0.00 H new ATOM 0 HB2 GLN B 39 8.016 -5.115 3.875 1.00 0.00 H new ATOM 0 HB3 GLN B 39 6.738 -6.023 3.093 1.00 0.00 H new ATOM 0 HG2 GLN B 39 6.756 -4.567 1.161 1.00 0.00 H new ATOM 0 HG3 GLN B 39 7.770 -3.389 1.971 1.00 0.00 H new ATOM 0 HE21 GLN B 39 9.991 -3.585 1.815 1.00 0.00 H new ATOM 0 HE22 GLN B 39 10.814 -4.984 1.116 1.00 0.00 H new ATOM 1285 N TYR B 40 6.985 -2.945 5.882 1.00 0.00 N ATOM 1286 CA TYR B 40 7.543 -1.801 6.596 1.00 0.00 C ATOM 1287 C TYR B 40 9.033 -1.588 6.318 1.00 0.00 C ATOM 1288 O TYR B 40 9.635 -0.658 6.864 1.00 0.00 O ATOM 1289 CB TYR B 40 7.351 -2.038 8.091 1.00 0.00 C ATOM 1290 CG TYR B 40 5.916 -2.140 8.547 1.00 0.00 C ATOM 1291 CD1 TYR B 40 5.168 -0.967 8.748 1.00 0.00 C ATOM 1292 CD2 TYR B 40 5.351 -3.397 8.827 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.906 -1.042 9.364 1.00 0.00 C ATOM 1294 CE2 TYR B 40 4.077 -3.484 9.405 1.00 0.00 C ATOM 1295 CZ TYR B 40 3.374 -2.303 9.723 1.00 0.00 C ATOM 1296 OH TYR B 40 2.178 -2.407 10.360 1.00 0.00 O ATOM 0 H TYR B 40 6.863 -3.772 6.466 1.00 0.00 H new ATOM 0 HA TYR B 40 7.023 -0.907 6.251 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.869 -2.957 8.366 1.00 0.00 H new ATOM 0 HB3 TYR B 40 7.832 -1.226 8.636 1.00 0.00 H new ATOM 0 HD1 TYR B 40 5.561 -0.012 8.431 1.00 0.00 H new ATOM 0 HD2 TYR B 40 5.900 -4.298 8.596 1.00 0.00 H new ATOM 0 HE1 TYR B 40 3.345 -0.141 9.562 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.636 -4.449 9.606 1.00 0.00 H new ATOM 0 HH TYR B 40 1.919 -1.531 10.714 1.00 0.00 H new ATOM 1306 N ARG B 41 9.661 -2.466 5.532 1.00 0.00 N ATOM 1307 CA ARG B 41 11.079 -2.404 5.193 1.00 0.00 C ATOM 1308 C ARG B 41 11.242 -2.001 3.742 1.00 0.00 C ATOM 1309 O ARG B 41 10.345 -2.228 2.929 1.00 0.00 O ATOM 1310 CB ARG B 41 11.750 -3.769 5.431 1.00 0.00 C ATOM 1311 CG ARG B 41 11.400 -4.347 6.804 1.00 0.00 C ATOM 1312 CD ARG B 41 12.329 -5.474 7.249 1.00 0.00 C ATOM 1313 NE ARG B 41 11.902 -5.938 8.575 1.00 0.00 N ATOM 1314 CZ ARG B 41 12.670 -6.231 9.628 1.00 0.00 C ATOM 1315 NH1 ARG B 41 13.994 -6.318 9.537 1.00 0.00 N ATOM 1316 NH2 ARG B 41 12.078 -6.447 10.792 1.00 0.00 N ATOM 0 H ARG B 41 9.182 -3.259 5.104 1.00 0.00 H new ATOM 0 HA ARG B 41 11.558 -1.662 5.832 1.00 0.00 H new ATOM 0 HB2 ARG B 41 11.439 -4.467 4.654 1.00 0.00 H new ATOM 0 HB3 ARG B 41 12.831 -3.661 5.348 1.00 0.00 H new ATOM 0 HG2 ARG B 41 11.432 -3.548 7.544 1.00 0.00 H new ATOM 0 HG3 ARG B 41 10.376 -4.719 6.782 1.00 0.00 H new ATOM 0 HD2 ARG B 41 12.297 -6.295 6.533 1.00 0.00 H new ATOM 0 HD3 ARG B 41 13.360 -5.122 7.285 1.00 0.00 H new ATOM 0 HE ARG B 41 10.897 -6.050 8.708 1.00 0.00 H new ATOM 0 HH11 ARG B 41 14.455 -6.159 8.641 1.00 0.00 H new ATOM 0 HH12 ARG B 41 14.548 -6.544 10.363 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.062 -6.388 10.866 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.637 -6.673 11.615 1.00 0.00 H new ATOM 1330 N HIS B 42 12.401 -1.447 3.420 1.00 0.00 N ATOM 1331 CA HIS B 42 12.747 -1.013 2.078 1.00 0.00 C ATOM 1332 C HIS B 42 12.933 -2.267 1.180 1.00 0.00 C ATOM 1333 O HIS B 42 13.335 -3.319 1.695 1.00 0.00 O ATOM 1334 CB HIS B 42 14.002 -0.135 2.241 1.00 0.00 C ATOM 1335 CG HIS B 42 14.420 0.638 1.023 1.00 0.00 C ATOM 1336 ND1 HIS B 42 15.335 0.192 0.076 1.00 0.00 N ATOM 1337 CD2 HIS B 42 13.982 1.885 0.678 1.00 0.00 C ATOM 1338 CE1 HIS B 42 15.406 1.171 -0.842 1.00 0.00 C ATOM 1339 NE2 HIS B 42 14.607 2.197 -0.509 1.00 0.00 N ATOM 0 H HIS B 42 13.143 -1.284 4.101 1.00 0.00 H new ATOM 0 HA HIS B 42 11.979 -0.422 1.580 1.00 0.00 H new ATOM 0 HB2 HIS B 42 13.826 0.570 3.053 1.00 0.00 H new ATOM 0 HB3 HIS B 42 14.832 -0.773 2.546 1.00 0.00 H new ATOM 0 HD2 HIS B 42 13.286 2.502 1.226 1.00 0.00 H new ATOM 0 HE1 HIS B 42 16.023 1.137 -1.728 1.00 0.00 H new ATOM 0 HE2 HIS B 42 14.484 3.058 -1.042 1.00 0.00 H new ATOM 1347 N PRO B 43 12.648 -2.203 -0.136 1.00 0.00 N ATOM 1348 CA PRO B 43 12.781 -3.325 -1.077 1.00 0.00 C ATOM 1349 C PRO B 43 14.222 -3.712 -1.460 1.00 0.00 C ATOM 1350 O PRO B 43 15.191 -3.152 -0.954 1.00 0.00 O ATOM 1351 CB PRO B 43 12.013 -2.856 -2.315 1.00 0.00 C ATOM 1352 CG PRO B 43 12.134 -1.343 -2.311 1.00 0.00 C ATOM 1353 CD PRO B 43 12.140 -1.022 -0.824 1.00 0.00 C ATOM 0 HA PRO B 43 12.400 -4.234 -0.613 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.436 -3.282 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO B 43 10.969 -3.167 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO B 43 13.047 -1.007 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.300 -0.867 -2.826 1.00 0.00 H new ATOM 0 HD2 PRO B 43 12.769 -0.156 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO B 43 11.136 -0.776 -0.478 1.00 0.00 H new ATOM 1361 N SER B 44 14.350 -4.691 -2.365 1.00 0.00 N ATOM 1362 CA SER B 44 15.590 -5.227 -2.923 1.00 0.00 C ATOM 1363 C SER B 44 15.425 -5.350 -4.445 1.00 0.00 C ATOM 1364 O SER B 44 14.302 -5.521 -4.940 1.00 0.00 O ATOM 1365 CB SER B 44 15.920 -6.585 -2.298 1.00 0.00 C ATOM 1366 OG SER B 44 16.360 -6.426 -0.963 1.00 0.00 O ATOM 0 H SER B 44 13.530 -5.159 -2.751 1.00 0.00 H new ATOM 0 HA SER B 44 16.418 -4.555 -2.698 1.00 0.00 H new ATOM 0 HB2 SER B 44 15.039 -7.226 -2.322 1.00 0.00 H new ATOM 0 HB3 SER B 44 16.692 -7.083 -2.884 1.00 0.00 H new ATOM 0 HG SER B 44 16.565 -7.304 -0.579 1.00 0.00 H new ATOM 1372 N GLY B 45 16.529 -5.283 -5.195 1.00 0.00 N ATOM 1373 CA GLY B 45 16.518 -5.368 -6.652 1.00 0.00 C ATOM 1374 C GLY B 45 16.528 -6.802 -7.187 1.00 0.00 C ATOM 1375 O GLY B 45 16.714 -7.749 -6.417 1.00 0.00 O ATOM 0 H GLY B 45 17.463 -5.167 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY B 45 15.633 -4.855 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY B 45 17.386 -4.838 -7.044 1.00 0.00 H new ATOM 1379 N PRO B 46 16.351 -6.978 -8.510 1.00 0.00 N ATOM 1380 CA PRO B 46 16.336 -8.287 -9.155 1.00 0.00 C ATOM 1381 C PRO B 46 17.750 -8.865 -9.266 1.00 0.00 C ATOM 1382 O PRO B 46 17.933 -10.079 -9.177 1.00 0.00 O ATOM 1383 CB PRO B 46 15.733 -8.035 -10.543 1.00 0.00 C ATOM 1384 CG PRO B 46 16.167 -6.603 -10.861 1.00 0.00 C ATOM 1385 CD PRO B 46 16.126 -5.926 -9.492 1.00 0.00 C ATOM 0 HA PRO B 46 15.760 -9.016 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO B 46 16.111 -8.743 -11.280 1.00 0.00 H new ATOM 0 HB3 PRO B 46 14.648 -8.134 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO B 46 17.165 -6.570 -11.299 1.00 0.00 H new ATOM 0 HG3 PRO B 46 15.492 -6.124 -11.570 1.00 0.00 H new ATOM 0 HD2 PRO B 46 16.891 -5.154 -9.417 1.00 0.00 H new ATOM 0 HD3 PRO B 46 15.165 -5.439 -9.327 1.00 0.00 H new ATOM 1393 N SER B 47 18.742 -8.008 -9.480 1.00 0.00 N ATOM 1394 CA SER B 47 20.158 -8.287 -9.622 1.00 0.00 C ATOM 1395 C SER B 47 20.869 -7.157 -8.880 1.00 0.00 C ATOM 1396 O SER B 47 20.250 -6.122 -8.609 1.00 0.00 O ATOM 1397 CB SER B 47 20.486 -8.325 -11.124 1.00 0.00 C ATOM 1398 OG SER B 47 21.877 -8.358 -11.386 1.00 0.00 O ATOM 0 H SER B 47 18.553 -7.009 -9.566 1.00 0.00 H new ATOM 0 HA SER B 47 20.472 -9.245 -9.207 1.00 0.00 H new ATOM 0 HB2 SER B 47 20.017 -9.202 -11.571 1.00 0.00 H new ATOM 0 HB3 SER B 47 20.052 -7.450 -11.607 1.00 0.00 H new ATOM 0 HG SER B 47 22.027 -8.383 -12.354 1.00 0.00 H new ATOM 1404 N SER B 48 22.153 -7.335 -8.565 1.00 0.00 N ATOM 1405 CA SER B 48 22.942 -6.332 -7.851 1.00 0.00 C ATOM 1406 C SER B 48 24.406 -6.273 -8.329 1.00 0.00 C ATOM 1407 O SER B 48 25.242 -5.633 -7.686 1.00 0.00 O ATOM 1408 CB SER B 48 22.840 -6.591 -6.339 1.00 0.00 C ATOM 1409 OG SER B 48 21.543 -7.018 -5.923 1.00 0.00 O ATOM 0 H SER B 48 22.675 -8.180 -8.798 1.00 0.00 H new ATOM 0 HA SER B 48 22.528 -5.349 -8.074 1.00 0.00 H new ATOM 0 HB2 SER B 48 23.571 -7.349 -6.058 1.00 0.00 H new ATOM 0 HB3 SER B 48 23.103 -5.679 -5.803 1.00 0.00 H new ATOM 0 HG SER B 48 21.543 -7.167 -4.954 1.00 0.00 H new ATOM 1415 N GLY B 49 24.729 -6.914 -9.462 1.00 0.00 N ATOM 1416 CA GLY B 49 26.077 -6.955 -10.023 1.00 0.00 C ATOM 1417 C GLY B 49 26.874 -8.082 -9.399 1.00 0.00 C ATOM 1418 O GLY B 49 26.493 -8.548 -8.302 1.00 0.00 O ATOM 0 H GLY B 49 24.045 -7.426 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY B 49 26.024 -7.093 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY B 49 26.580 -6.004 -9.847 1.00 0.00 H new TER 1422 GLY B 49