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: A 30 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 42 HIS :FLIP no HE2:sc= -0.862 F(o=-1.8,f=-0.86) USER MOD Set 2.1: A 40 TYR OH : rot 27:sc= 0.185 USER MOD Set 2.2: B 33 HIS : no HD1:sc= 0.508 K(o=0.69,f=-3.8!) USER MOD Set 3.1: A 33 HIS : +bothHN:sc= -0.988 K(o=-0.35,f=-3.3!) USER MOD Set 3.2: A 36 LYS NZ :NH3+ 179:sc= 0.606 (180deg=0.513) USER MOD Set 3.3: B 40 TYR OH : rot 180:sc= 0.0285 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0.334 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 0.242 USER MOD Single : A 23 SER OG : rot 145:sc= 1.23 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.079 USER MOD Single : A 29 TYR OH : rot -15:sc= -0.0451 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.21 K(o=1.2,f=-0.023) USER MOD Single : A 39 GLN : amide:sc= 0.719 K(o=0.72,f=-0.69) USER MOD Single : A 44 SER OG : rot 39:sc= 0.0425 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 131:sc= 1.37 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot -14:sc= 0.778 USER MOD Single : B 29 TYR OH : rot 90:sc= -0.496 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : B 36 LYS NZ :NH3+ -142:sc= 1.39 (180deg=0.838) USER MOD Single : B 39 GLN : amide:sc= 0.25 K(o=0.25,f=-4.6!) USER MOD Single : B 42 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-1.5) 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.964 -1.603 -1.281 1.00 0.00 N ATOM 2 CA GLY A 1 -29.058 -2.493 -1.694 1.00 0.00 C ATOM 3 C GLY A 1 -28.912 -2.874 -3.158 1.00 0.00 C ATOM 4 O GLY A 1 -29.632 -2.338 -4.002 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.080 -1.353 -0.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.053 -2.087 -1.414 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.984 -0.738 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.056 -3.391 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.016 -1.999 -1.535 1.00 0.00 H new ATOM 8 N SER A 2 -27.989 -3.786 -3.466 1.00 0.00 N ATOM 9 CA SER A 2 -27.708 -4.255 -4.815 1.00 0.00 C ATOM 10 C SER A 2 -28.946 -4.868 -5.473 1.00 0.00 C ATOM 11 O SER A 2 -29.791 -5.480 -4.810 1.00 0.00 O ATOM 12 CB SER A 2 -26.575 -5.290 -4.718 1.00 0.00 C ATOM 13 OG SER A 2 -26.330 -5.990 -5.925 1.00 0.00 O ATOM 0 H SER A 2 -27.401 -4.229 -2.760 1.00 0.00 H new ATOM 0 HA SER A 2 -27.411 -3.414 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.660 -4.784 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.819 -6.009 -3.936 1.00 0.00 H new ATOM 0 HG SER A 2 -25.598 -6.628 -5.790 1.00 0.00 H new ATOM 19 N SER A 3 -28.996 -4.749 -6.795 1.00 0.00 N ATOM 20 CA SER A 3 -30.015 -5.258 -7.698 1.00 0.00 C ATOM 21 C SER A 3 -29.401 -6.374 -8.566 1.00 0.00 C ATOM 22 O SER A 3 -29.988 -6.773 -9.572 1.00 0.00 O ATOM 23 CB SER A 3 -30.614 -4.098 -8.507 1.00 0.00 C ATOM 24 OG SER A 3 -29.614 -3.295 -9.110 1.00 0.00 O ATOM 0 H SER A 3 -28.263 -4.253 -7.302 1.00 0.00 H new ATOM 0 HA SER A 3 -30.845 -5.704 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.272 -4.497 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.229 -3.480 -7.853 1.00 0.00 H new ATOM 0 HG SER A 3 -30.037 -2.570 -9.616 1.00 0.00 H new ATOM 30 N GLY A 4 -28.208 -6.865 -8.200 1.00 0.00 N ATOM 31 CA GLY A 4 -27.471 -7.926 -8.874 1.00 0.00 C ATOM 32 C GLY A 4 -26.011 -7.567 -9.140 1.00 0.00 C ATOM 33 O GLY A 4 -25.225 -8.447 -9.493 1.00 0.00 O ATOM 0 H GLY A 4 -27.712 -6.509 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.512 -8.830 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.961 -8.155 -9.820 1.00 0.00 H new ATOM 37 N SER A 5 -25.597 -6.309 -8.979 1.00 0.00 N ATOM 38 CA SER A 5 -24.225 -5.871 -9.203 1.00 0.00 C ATOM 39 C SER A 5 -23.901 -4.706 -8.277 1.00 0.00 C ATOM 40 O SER A 5 -24.134 -3.550 -8.641 1.00 0.00 O ATOM 41 CB SER A 5 -24.035 -5.471 -10.668 1.00 0.00 C ATOM 42 OG SER A 5 -23.921 -6.605 -11.516 1.00 0.00 O ATOM 0 H SER A 5 -26.219 -5.556 -8.684 1.00 0.00 H new ATOM 0 HA SER A 5 -23.542 -6.691 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.878 -4.860 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.141 -4.855 -10.763 1.00 0.00 H new ATOM 0 HG SER A 5 -24.221 -7.404 -11.035 1.00 0.00 H new ATOM 48 N SER A 6 -23.397 -5.000 -7.078 1.00 0.00 N ATOM 49 CA SER A 6 -23.035 -3.965 -6.124 1.00 0.00 C ATOM 50 C SER A 6 -21.935 -3.098 -6.741 1.00 0.00 C ATOM 51 O SER A 6 -21.158 -3.588 -7.574 1.00 0.00 O ATOM 52 CB SER A 6 -22.522 -4.600 -4.833 1.00 0.00 C ATOM 53 OG SER A 6 -23.195 -5.807 -4.513 1.00 0.00 O ATOM 0 H SER A 6 -23.232 -5.951 -6.749 1.00 0.00 H new ATOM 0 HA SER A 6 -23.909 -3.356 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.455 -4.798 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.642 -3.893 -4.012 1.00 0.00 H new ATOM 0 HG SER A 6 -22.830 -6.174 -3.681 1.00 0.00 H new ATOM 59 N GLY A 7 -21.830 -1.838 -6.332 1.00 0.00 N ATOM 60 CA GLY A 7 -20.825 -0.947 -6.878 1.00 0.00 C ATOM 61 C GLY A 7 -19.394 -1.359 -6.507 1.00 0.00 C ATOM 62 O GLY A 7 -19.168 -2.108 -5.553 1.00 0.00 O ATOM 0 H GLY A 7 -22.431 -1.415 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.920 -0.922 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.011 0.065 -6.519 1.00 0.00 H new ATOM 66 N PRO A 8 -18.398 -0.868 -7.258 1.00 0.00 N ATOM 67 CA PRO A 8 -16.985 -1.142 -6.999 1.00 0.00 C ATOM 68 C PRO A 8 -16.402 -0.190 -5.946 1.00 0.00 C ATOM 69 O PRO A 8 -15.293 -0.396 -5.449 1.00 0.00 O ATOM 70 CB PRO A 8 -16.314 -0.822 -8.327 1.00 0.00 C ATOM 71 CG PRO A 8 -17.156 0.305 -8.921 1.00 0.00 C ATOM 72 CD PRO A 8 -18.561 0.005 -8.414 1.00 0.00 C ATOM 0 HA PRO A 8 -16.840 -2.159 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.279 -0.511 -8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.297 -1.692 -8.983 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.809 1.283 -8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.114 0.306 -10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.080 0.923 -8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -19.159 -0.479 -9.186 1.00 0.00 H new ATOM 80 N LEU A 9 -17.127 0.905 -5.715 1.00 0.00 N ATOM 81 CA LEU A 9 -16.908 2.033 -4.828 1.00 0.00 C ATOM 82 C LEU A 9 -18.297 2.521 -4.402 1.00 0.00 C ATOM 83 O LEU A 9 -19.270 2.303 -5.134 1.00 0.00 O ATOM 84 CB LEU A 9 -16.226 3.169 -5.624 1.00 0.00 C ATOM 85 CG LEU A 9 -14.879 2.832 -6.295 1.00 0.00 C ATOM 86 CD1 LEU A 9 -14.440 3.968 -7.218 1.00 0.00 C ATOM 87 CD2 LEU A 9 -13.779 2.579 -5.271 1.00 0.00 C ATOM 0 H LEU A 9 -18.003 1.031 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.289 1.755 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.917 3.505 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.069 4.011 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.034 1.920 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.488 3.712 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.192 4.119 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.327 4.884 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.848 2.345 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.640 3.470 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.061 1.741 -4.634 1.00 0.00 H new ATOM 99 N GLU A 10 -18.396 3.255 -3.296 1.00 0.00 N ATOM 100 CA GLU A 10 -19.646 3.802 -2.758 1.00 0.00 C ATOM 101 C GLU A 10 -19.565 5.300 -2.476 1.00 0.00 C ATOM 102 O GLU A 10 -20.571 5.880 -2.078 1.00 0.00 O ATOM 103 CB GLU A 10 -20.083 3.003 -1.514 1.00 0.00 C ATOM 104 CG GLU A 10 -21.589 2.695 -1.510 1.00 0.00 C ATOM 105 CD GLU A 10 -21.864 1.277 -1.017 1.00 0.00 C ATOM 106 OE1 GLU A 10 -22.038 1.080 0.206 1.00 0.00 O ATOM 107 OE2 GLU A 10 -21.850 0.336 -1.848 1.00 0.00 O ATOM 0 H GLU A 10 -17.583 3.495 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 10 -20.411 3.691 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.524 2.068 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.829 3.567 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.107 3.411 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.990 2.817 -2.516 1.00 0.00 H new ATOM 114 N ARG A 11 -18.405 5.917 -2.760 1.00 0.00 N ATOM 115 CA ARG A 11 -18.015 7.332 -2.616 1.00 0.00 C ATOM 116 C ARG A 11 -17.619 7.670 -1.179 1.00 0.00 C ATOM 117 O ARG A 11 -16.871 8.625 -0.946 1.00 0.00 O ATOM 118 CB ARG A 11 -19.113 8.289 -3.134 1.00 0.00 C ATOM 119 CG ARG A 11 -19.458 8.028 -4.608 1.00 0.00 C ATOM 120 CD ARG A 11 -20.520 8.999 -5.143 1.00 0.00 C ATOM 121 NE ARG A 11 -20.606 9.001 -6.620 1.00 0.00 N ATOM 122 CZ ARG A 11 -21.588 9.546 -7.359 1.00 0.00 C ATOM 123 NH1 ARG A 11 -22.644 10.115 -6.788 1.00 0.00 N ATOM 124 NH2 ARG A 11 -21.509 9.531 -8.685 1.00 0.00 N ATOM 0 H ARG A 11 -17.629 5.374 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.134 7.479 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -20.010 8.174 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.779 9.320 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.554 8.115 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.817 7.005 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.492 8.732 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.292 10.007 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.847 8.545 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.720 10.144 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.378 10.523 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.703 9.106 -9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.254 9.945 -9.245 1.00 0.00 H new ATOM 138 N GLU A 12 -18.073 6.858 -0.242 1.00 0.00 N ATOM 139 CA GLU A 12 -17.863 6.944 1.185 1.00 0.00 C ATOM 140 C GLU A 12 -16.408 6.667 1.575 1.00 0.00 C ATOM 141 O GLU A 12 -15.569 6.309 0.743 1.00 0.00 O ATOM 142 CB GLU A 12 -18.854 5.952 1.811 1.00 0.00 C ATOM 143 CG GLU A 12 -20.294 6.452 1.635 1.00 0.00 C ATOM 144 CD GLU A 12 -20.581 7.536 2.686 1.00 0.00 C ATOM 145 OE1 GLU A 12 -20.194 8.714 2.491 1.00 0.00 O ATOM 146 OE2 GLU A 12 -21.073 7.192 3.783 1.00 0.00 O ATOM 0 H GLU A 12 -18.648 6.052 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.044 7.953 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.742 4.973 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.633 5.827 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.432 6.855 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.996 5.625 1.746 1.00 0.00 H new ATOM 153 N GLY A 13 -16.079 6.888 2.849 1.00 0.00 N ATOM 154 CA GLY A 13 -14.740 6.663 3.366 1.00 0.00 C ATOM 155 C GLY A 13 -14.488 5.178 3.580 1.00 0.00 C ATOM 156 O GLY A 13 -15.414 4.363 3.585 1.00 0.00 O ATOM 0 H GLY A 13 -16.739 7.229 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.004 7.065 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.614 7.198 4.307 1.00 0.00 H new ATOM 160 N LEU A 14 -13.229 4.815 3.776 1.00 0.00 N ATOM 161 CA LEU A 14 -12.789 3.446 4.016 1.00 0.00 C ATOM 162 C LEU A 14 -13.015 3.053 5.480 1.00 0.00 C ATOM 163 O LEU A 14 -13.186 3.933 6.326 1.00 0.00 O ATOM 164 CB LEU A 14 -11.280 3.390 3.732 1.00 0.00 C ATOM 165 CG LEU A 14 -10.921 3.412 2.246 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.416 3.598 2.114 1.00 0.00 C ATOM 167 CD2 LEU A 14 -11.279 2.098 1.552 1.00 0.00 C ATOM 0 H LEU A 14 -12.460 5.485 3.773 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.351 2.765 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.798 4.235 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.871 2.484 4.180 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.482 4.223 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.143 3.616 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.123 4.539 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.903 2.773 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.007 2.157 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.735 1.279 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.351 1.920 1.641 1.00 0.00 H new ATOM 179 N PRO A 15 -13.018 1.751 5.817 1.00 0.00 N ATOM 180 CA PRO A 15 -13.180 1.313 7.197 1.00 0.00 C ATOM 181 C PRO A 15 -11.921 1.688 8.010 1.00 0.00 C ATOM 182 O PRO A 15 -10.853 1.922 7.427 1.00 0.00 O ATOM 183 CB PRO A 15 -13.390 -0.202 7.138 1.00 0.00 C ATOM 184 CG PRO A 15 -12.709 -0.602 5.839 1.00 0.00 C ATOM 185 CD PRO A 15 -12.862 0.610 4.931 1.00 0.00 C ATOM 0 HA PRO A 15 -14.026 1.792 7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.943 -0.703 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.449 -0.461 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.659 -0.845 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.176 -1.485 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.990 0.730 4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.727 0.502 4.277 1.00 0.00 H new ATOM 193 N PRO A 16 -12.016 1.717 9.348 1.00 0.00 N ATOM 194 CA PRO A 16 -10.900 2.050 10.222 1.00 0.00 C ATOM 195 C PRO A 16 -9.864 0.926 10.143 1.00 0.00 C ATOM 196 O PRO A 16 -10.117 -0.191 10.602 1.00 0.00 O ATOM 197 CB PRO A 16 -11.506 2.229 11.617 1.00 0.00 C ATOM 198 CG PRO A 16 -12.771 1.371 11.575 1.00 0.00 C ATOM 199 CD PRO A 16 -13.218 1.448 10.120 1.00 0.00 C ATOM 0 HA PRO A 16 -10.376 2.964 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.821 1.895 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.738 3.274 11.822 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.567 0.344 11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.537 1.755 12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.684 0.515 9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.957 2.237 9.980 1.00 0.00 H new ATOM 207 N GLY A 17 -8.729 1.208 9.506 1.00 0.00 N ATOM 208 CA GLY A 17 -7.618 0.291 9.306 1.00 0.00 C ATOM 209 C GLY A 17 -7.215 0.203 7.832 1.00 0.00 C ATOM 210 O GLY A 17 -6.134 -0.295 7.508 1.00 0.00 O ATOM 0 H GLY A 17 -8.555 2.126 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.764 0.620 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.894 -0.700 9.668 1.00 0.00 H new ATOM 214 N TRP A 18 -8.072 0.656 6.914 1.00 0.00 N ATOM 215 CA TRP A 18 -7.800 0.639 5.484 1.00 0.00 C ATOM 216 C TRP A 18 -7.241 1.989 5.059 1.00 0.00 C ATOM 217 O TRP A 18 -7.705 3.024 5.523 1.00 0.00 O ATOM 218 CB TRP A 18 -9.064 0.254 4.729 1.00 0.00 C ATOM 219 CG TRP A 18 -9.196 -1.226 4.595 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.600 -2.087 5.557 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.847 -2.037 3.440 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.511 -3.378 5.075 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.078 -3.402 3.765 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.362 -1.742 2.148 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.861 -4.426 2.835 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -8.121 -2.755 1.203 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.389 -4.093 1.552 1.00 0.00 C ATOM 0 H TRP A 18 -8.983 1.048 7.151 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.046 -0.110 5.244 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.935 0.652 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.050 0.709 3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.938 -1.809 6.544 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.737 -4.210 5.620 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.171 -0.714 1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.053 -5.456 3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.736 -2.511 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.230 -4.875 0.824 1.00 0.00 H new ATOM 238 N GLU A 19 -6.286 1.972 4.128 1.00 0.00 N ATOM 239 CA GLU A 19 -5.630 3.174 3.635 1.00 0.00 C ATOM 240 C GLU A 19 -5.732 3.263 2.111 1.00 0.00 C ATOM 241 O GLU A 19 -5.615 2.242 1.419 1.00 0.00 O ATOM 242 CB GLU A 19 -4.153 3.091 4.062 1.00 0.00 C ATOM 243 CG GLU A 19 -3.374 4.413 3.976 1.00 0.00 C ATOM 244 CD GLU A 19 -3.678 5.316 5.173 1.00 0.00 C ATOM 245 OE1 GLU A 19 -4.773 5.918 5.198 1.00 0.00 O ATOM 246 OE2 GLU A 19 -2.871 5.343 6.129 1.00 0.00 O ATOM 0 H GLU A 19 -5.946 1.114 3.694 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.108 4.063 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.108 2.727 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.652 2.351 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.305 4.206 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.633 4.931 3.052 1.00 0.00 H new ATOM 253 N ARG A 20 -5.952 4.472 1.586 1.00 0.00 N ATOM 254 CA ARG A 20 -6.036 4.745 0.158 1.00 0.00 C ATOM 255 C ARG A 20 -4.727 5.407 -0.233 1.00 0.00 C ATOM 256 O ARG A 20 -4.270 6.325 0.446 1.00 0.00 O ATOM 257 CB ARG A 20 -7.210 5.683 -0.192 1.00 0.00 C ATOM 258 CG ARG A 20 -7.431 5.690 -1.714 1.00 0.00 C ATOM 259 CD ARG A 20 -8.748 6.344 -2.155 1.00 0.00 C ATOM 260 NE ARG A 20 -8.562 7.699 -2.692 1.00 0.00 N ATOM 261 CZ ARG A 20 -8.945 8.857 -2.150 1.00 0.00 C ATOM 262 NH1 ARG A 20 -9.480 8.932 -0.935 1.00 0.00 N ATOM 263 NH2 ARG A 20 -8.795 9.951 -2.883 1.00 0.00 N ATOM 0 H ARG A 20 -6.079 5.305 2.161 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.209 3.814 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.116 5.352 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.999 6.693 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.601 6.214 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.409 4.663 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.222 5.720 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.429 6.386 -1.305 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.081 7.762 -3.589 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.610 8.085 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.760 9.837 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.400 9.886 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.074 10.858 -2.509 1.00 0.00 H new ATOM 277 N VAL A 21 -4.141 4.972 -1.338 1.00 0.00 N ATOM 278 CA VAL A 21 -2.896 5.519 -1.858 1.00 0.00 C ATOM 279 C VAL A 21 -3.237 6.171 -3.204 1.00 0.00 C ATOM 280 O VAL A 21 -4.022 5.589 -3.952 1.00 0.00 O ATOM 281 CB VAL A 21 -1.861 4.391 -1.997 1.00 0.00 C ATOM 282 CG1 VAL A 21 -0.501 5.017 -2.309 1.00 0.00 C ATOM 283 CG2 VAL A 21 -1.745 3.527 -0.730 1.00 0.00 C ATOM 0 H VAL A 21 -4.523 4.217 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.457 6.263 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.191 3.733 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.247 4.231 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.565 5.580 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.214 5.687 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.999 2.748 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.444 4.152 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.709 3.068 -0.513 1.00 0.00 H new ATOM 293 N GLU A 22 -2.687 7.351 -3.520 1.00 0.00 N ATOM 294 CA GLU A 22 -2.942 8.072 -4.771 1.00 0.00 C ATOM 295 C GLU A 22 -1.626 8.553 -5.399 1.00 0.00 C ATOM 296 O GLU A 22 -0.799 9.142 -4.700 1.00 0.00 O ATOM 297 CB GLU A 22 -3.916 9.246 -4.518 1.00 0.00 C ATOM 298 CG GLU A 22 -3.377 10.345 -3.578 1.00 0.00 C ATOM 299 CD GLU A 22 -4.408 11.428 -3.253 1.00 0.00 C ATOM 300 OE1 GLU A 22 -5.462 11.101 -2.662 1.00 0.00 O ATOM 301 OE2 GLU A 22 -4.150 12.622 -3.556 1.00 0.00 O ATOM 0 H GLU A 22 -2.040 7.839 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.411 7.392 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.171 9.700 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.840 8.849 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.040 9.885 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.505 10.810 -4.038 1.00 0.00 H new ATOM 308 N SER A 23 -1.420 8.301 -6.696 1.00 0.00 N ATOM 309 CA SER A 23 -0.242 8.701 -7.477 1.00 0.00 C ATOM 310 C SER A 23 -0.593 8.890 -8.954 1.00 0.00 C ATOM 311 O SER A 23 -1.673 8.502 -9.396 1.00 0.00 O ATOM 312 CB SER A 23 0.860 7.649 -7.375 1.00 0.00 C ATOM 313 OG SER A 23 1.456 7.676 -6.095 1.00 0.00 O ATOM 0 H SER A 23 -2.101 7.789 -7.257 1.00 0.00 H new ATOM 0 HA SER A 23 0.108 9.647 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.445 6.660 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.616 7.832 -8.138 1.00 0.00 H new ATOM 0 HG SER A 23 1.697 6.765 -5.827 1.00 0.00 H new ATOM 319 N SER A 24 0.340 9.431 -9.735 1.00 0.00 N ATOM 320 CA SER A 24 0.178 9.680 -11.157 1.00 0.00 C ATOM 321 C SER A 24 0.548 8.462 -12.013 1.00 0.00 C ATOM 322 O SER A 24 -0.026 8.299 -13.089 1.00 0.00 O ATOM 323 CB SER A 24 1.086 10.854 -11.533 1.00 0.00 C ATOM 324 OG SER A 24 0.873 11.963 -10.671 1.00 0.00 O ATOM 0 H SER A 24 1.254 9.715 -9.381 1.00 0.00 H new ATOM 0 HA SER A 24 -0.872 9.900 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.129 10.543 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.895 11.150 -12.565 1.00 0.00 H new ATOM 0 HG SER A 24 1.466 12.698 -10.931 1.00 0.00 H new ATOM 330 N GLU A 25 1.472 7.592 -11.577 1.00 0.00 N ATOM 331 CA GLU A 25 1.869 6.426 -12.374 1.00 0.00 C ATOM 332 C GLU A 25 0.821 5.314 -12.277 1.00 0.00 C ATOM 333 O GLU A 25 0.438 4.744 -13.299 1.00 0.00 O ATOM 334 CB GLU A 25 3.236 5.885 -11.898 1.00 0.00 C ATOM 335 CG GLU A 25 3.955 4.951 -12.890 1.00 0.00 C ATOM 336 CD GLU A 25 4.606 5.686 -14.068 1.00 0.00 C ATOM 337 OE1 GLU A 25 5.763 6.168 -13.942 1.00 0.00 O ATOM 338 OE2 GLU A 25 3.966 5.812 -15.134 1.00 0.00 O ATOM 0 H GLU A 25 1.954 7.675 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 25 1.949 6.746 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.888 6.731 -11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.090 5.349 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.721 4.389 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.239 4.226 -13.277 1.00 0.00 H new ATOM 345 N PHE A 26 0.326 5.037 -11.063 1.00 0.00 N ATOM 346 CA PHE A 26 -0.644 3.972 -10.807 1.00 0.00 C ATOM 347 C PHE A 26 -2.092 4.434 -10.680 1.00 0.00 C ATOM 348 O PHE A 26 -3.001 3.639 -10.911 1.00 0.00 O ATOM 349 CB PHE A 26 -0.234 3.214 -9.539 1.00 0.00 C ATOM 350 CG PHE A 26 1.246 2.893 -9.427 1.00 0.00 C ATOM 351 CD1 PHE A 26 1.929 2.248 -10.476 1.00 0.00 C ATOM 352 CD2 PHE A 26 1.948 3.269 -8.269 1.00 0.00 C ATOM 353 CE1 PHE A 26 3.305 1.976 -10.358 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.319 2.987 -8.148 1.00 0.00 C ATOM 355 CZ PHE A 26 3.997 2.354 -9.197 1.00 0.00 C ATOM 0 H PHE A 26 0.593 5.553 -10.225 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.621 3.330 -11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.528 3.804 -8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.796 2.281 -9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.397 1.962 -11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.431 3.777 -7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.828 1.477 -11.160 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.849 3.258 -7.247 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.055 2.156 -9.112 1.00 0.00 H new ATOM 365 N GLY A 27 -2.326 5.688 -10.310 1.00 0.00 N ATOM 366 CA GLY A 27 -3.653 6.249 -10.158 1.00 0.00 C ATOM 367 C GLY A 27 -4.051 6.197 -8.697 1.00 0.00 C ATOM 368 O GLY A 27 -3.697 7.085 -7.923 1.00 0.00 O ATOM 0 H GLY A 27 -1.580 6.352 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.669 7.279 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.368 5.691 -10.762 1.00 0.00 H new ATOM 372 N THR A 28 -4.765 5.154 -8.297 1.00 0.00 N ATOM 373 CA THR A 28 -5.219 5.019 -6.918 1.00 0.00 C ATOM 374 C THR A 28 -5.439 3.550 -6.562 1.00 0.00 C ATOM 375 O THR A 28 -6.098 2.831 -7.318 1.00 0.00 O ATOM 376 CB THR A 28 -6.560 5.778 -6.711 1.00 0.00 C ATOM 377 OG1 THR A 28 -6.722 6.901 -7.565 1.00 0.00 O ATOM 378 CG2 THR A 28 -6.768 6.287 -5.284 1.00 0.00 C ATOM 0 H THR A 28 -5.043 4.387 -8.909 1.00 0.00 H new ATOM 0 HA THR A 28 -4.447 5.442 -6.275 1.00 0.00 H new ATOM 0 HB THR A 28 -7.298 5.012 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.585 7.329 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.725 6.805 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.764 5.444 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.964 6.975 -5.022 1.00 0.00 H new ATOM 386 N TYR A 29 -4.886 3.092 -5.434 1.00 0.00 N ATOM 387 CA TYR A 29 -5.088 1.717 -4.966 1.00 0.00 C ATOM 388 C TYR A 29 -5.386 1.736 -3.461 1.00 0.00 C ATOM 389 O TYR A 29 -5.356 2.803 -2.838 1.00 0.00 O ATOM 390 CB TYR A 29 -3.941 0.798 -5.378 1.00 0.00 C ATOM 391 CG TYR A 29 -2.601 1.130 -4.782 1.00 0.00 C ATOM 392 CD1 TYR A 29 -2.235 0.591 -3.534 1.00 0.00 C ATOM 393 CD2 TYR A 29 -1.699 1.922 -5.510 1.00 0.00 C ATOM 394 CE1 TYR A 29 -0.962 0.855 -3.008 1.00 0.00 C ATOM 395 CE2 TYR A 29 -0.431 2.191 -4.979 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.064 1.669 -3.724 1.00 0.00 C ATOM 397 OH TYR A 29 1.153 1.961 -3.203 1.00 0.00 O ATOM 0 H TYR A 29 -4.293 3.656 -4.826 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.958 1.281 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.200 -0.224 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.852 0.821 -6.464 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.932 -0.024 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.981 2.321 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.671 0.435 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.267 2.800 -5.534 1.00 0.00 H new ATOM 0 HH TYR A 29 1.161 1.741 -2.248 1.00 0.00 H new ATOM 407 N TYR A 30 -5.732 0.593 -2.861 1.00 0.00 N ATOM 408 CA TYR A 30 -6.050 0.487 -1.448 1.00 0.00 C ATOM 409 C TYR A 30 -5.171 -0.589 -0.834 1.00 0.00 C ATOM 410 O TYR A 30 -4.893 -1.596 -1.498 1.00 0.00 O ATOM 411 CB TYR A 30 -7.528 0.106 -1.300 1.00 0.00 C ATOM 412 CG TYR A 30 -8.492 1.006 -2.045 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.909 2.209 -1.461 1.00 0.00 C ATOM 414 CD2 TYR A 30 -8.953 0.661 -3.327 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.810 3.051 -2.130 1.00 0.00 C ATOM 416 CE2 TYR A 30 -9.836 1.509 -4.015 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.254 2.722 -3.427 1.00 0.00 C ATOM 418 OH TYR A 30 -10.956 3.624 -4.157 1.00 0.00 O ATOM 0 H TYR A 30 -5.798 -0.295 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.872 1.435 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.662 -0.917 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.787 0.116 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.534 2.491 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.627 -0.261 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.164 3.952 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.196 1.233 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.977 3.341 -5.095 1.00 0.00 H new ATOM 428 N VAL A 31 -4.778 -0.406 0.424 1.00 0.00 N ATOM 429 CA VAL A 31 -3.939 -1.358 1.154 1.00 0.00 C ATOM 430 C VAL A 31 -4.702 -1.886 2.367 1.00 0.00 C ATOM 431 O VAL A 31 -5.502 -1.179 2.986 1.00 0.00 O ATOM 432 CB VAL A 31 -2.592 -0.730 1.564 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.649 -1.756 2.220 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.851 -0.133 0.362 1.00 0.00 C ATOM 0 H VAL A 31 -5.035 0.415 0.972 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.705 -2.194 0.495 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.846 0.053 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.713 -1.268 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.120 -2.162 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.446 -2.565 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.907 0.299 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.654 -0.917 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.465 0.644 -0.095 1.00 0.00 H new ATOM 444 N ASP A 32 -4.486 -3.166 2.656 1.00 0.00 N ATOM 445 CA ASP A 32 -5.057 -3.914 3.760 1.00 0.00 C ATOM 446 C ASP A 32 -3.987 -4.190 4.804 1.00 0.00 C ATOM 447 O ASP A 32 -3.073 -4.967 4.526 1.00 0.00 O ATOM 448 CB ASP A 32 -5.606 -5.248 3.248 1.00 0.00 C ATOM 449 CG ASP A 32 -6.377 -6.012 4.314 1.00 0.00 C ATOM 450 OD1 ASP A 32 -6.470 -5.538 5.465 1.00 0.00 O ATOM 451 OD2 ASP A 32 -6.861 -7.112 3.971 1.00 0.00 O ATOM 0 H ASP A 32 -3.867 -3.741 2.085 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.862 -3.329 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.259 -5.064 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.780 -5.863 2.891 1.00 0.00 H new ATOM 456 N HIS A 33 -4.047 -3.560 5.973 1.00 0.00 N ATOM 457 CA HIS A 33 -3.076 -3.790 7.041 1.00 0.00 C ATOM 458 C HIS A 33 -3.282 -5.164 7.687 1.00 0.00 C ATOM 459 O HIS A 33 -2.323 -5.757 8.184 1.00 0.00 O ATOM 460 CB HIS A 33 -3.203 -2.697 8.117 1.00 0.00 C ATOM 461 CG HIS A 33 -2.082 -1.692 8.092 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.800 -1.870 8.624 1.00 0.00 N ATOM 463 CD2 HIS A 33 -2.152 -0.456 7.530 1.00 0.00 C ATOM 464 CE1 HIS A 33 -0.171 -0.698 8.439 1.00 0.00 C ATOM 465 NE2 HIS A 33 -0.944 0.148 7.749 1.00 0.00 N ATOM 0 H HIS A 33 -4.767 -2.877 6.208 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.080 -3.757 6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.150 -2.175 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.235 -3.168 9.099 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.423 -2.712 9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.999 -0.032 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.822 -0.470 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.678 1.083 7.439 1.00 0.00 H new ATOM 473 N THR A 34 -4.505 -5.698 7.640 1.00 0.00 N ATOM 474 CA THR A 34 -4.872 -6.977 8.230 1.00 0.00 C ATOM 475 C THR A 34 -4.211 -8.138 7.505 1.00 0.00 C ATOM 476 O THR A 34 -3.837 -9.125 8.144 1.00 0.00 O ATOM 477 CB THR A 34 -6.408 -7.107 8.185 1.00 0.00 C ATOM 478 OG1 THR A 34 -7.012 -5.927 8.683 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.967 -8.306 8.952 1.00 0.00 C ATOM 0 H THR A 34 -5.286 -5.235 7.176 1.00 0.00 H new ATOM 0 HA THR A 34 -4.522 -7.012 9.262 1.00 0.00 H new ATOM 0 HB THR A 34 -6.651 -7.266 7.134 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.987 -6.019 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.054 -8.318 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.559 -9.227 8.535 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.687 -8.229 10.003 1.00 0.00 H new ATOM 487 N ASN A 35 -4.016 -8.014 6.192 1.00 0.00 N ATOM 488 CA ASN A 35 -3.429 -9.062 5.365 1.00 0.00 C ATOM 489 C ASN A 35 -2.172 -8.605 4.620 1.00 0.00 C ATOM 490 O ASN A 35 -1.584 -9.409 3.898 1.00 0.00 O ATOM 491 CB ASN A 35 -4.509 -9.556 4.385 1.00 0.00 C ATOM 492 CG ASN A 35 -5.694 -10.231 5.062 1.00 0.00 C ATOM 493 OD1 ASN A 35 -5.651 -11.423 5.350 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.778 -9.518 5.303 1.00 0.00 N ATOM 0 H ASN A 35 -4.264 -7.174 5.670 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.099 -9.874 6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.870 -8.710 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.056 -10.257 3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.592 -9.957 5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.802 -8.528 5.059 1.00 0.00 H new ATOM 501 N LYS A 36 -1.723 -7.356 4.794 1.00 0.00 N ATOM 502 CA LYS A 36 -0.556 -6.745 4.140 1.00 0.00 C ATOM 503 C LYS A 36 -0.629 -6.963 2.630 1.00 0.00 C ATOM 504 O LYS A 36 0.315 -7.475 2.015 1.00 0.00 O ATOM 505 CB LYS A 36 0.761 -7.214 4.788 1.00 0.00 C ATOM 506 CG LYS A 36 0.912 -6.702 6.226 1.00 0.00 C ATOM 507 CD LYS A 36 1.469 -5.294 6.360 1.00 0.00 C ATOM 508 CE LYS A 36 2.990 -5.327 6.283 1.00 0.00 C ATOM 509 NZ LYS A 36 3.534 -3.966 6.358 1.00 0.00 N ATOM 0 H LYS A 36 -2.189 -6.708 5.429 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.573 -5.666 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.797 -8.303 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.603 -6.866 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.064 -6.736 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.563 -7.386 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.070 -4.659 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.154 -4.858 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.389 -5.931 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.304 -5.800 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.573 -4.005 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.180 -3.406 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.235 -3.521 7.250 1.00 0.00 H new ATOM 523 N ARG A 37 -1.769 -6.615 2.031 1.00 0.00 N ATOM 524 CA ARG A 37 -2.011 -6.759 0.597 1.00 0.00 C ATOM 525 C ARG A 37 -2.480 -5.445 0.011 1.00 0.00 C ATOM 526 O ARG A 37 -2.869 -4.543 0.753 1.00 0.00 O ATOM 527 CB ARG A 37 -3.098 -7.802 0.295 1.00 0.00 C ATOM 528 CG ARG A 37 -2.932 -9.140 1.009 1.00 0.00 C ATOM 529 CD ARG A 37 -3.785 -10.188 0.305 1.00 0.00 C ATOM 530 NE ARG A 37 -3.683 -11.512 0.931 1.00 0.00 N ATOM 531 CZ ARG A 37 -3.881 -12.682 0.318 1.00 0.00 C ATOM 532 NH1 ARG A 37 -3.948 -12.772 -1.009 1.00 0.00 N ATOM 533 NH2 ARG A 37 -4.009 -13.767 1.069 1.00 0.00 N ATOM 0 H ARG A 37 -2.561 -6.219 2.537 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.067 -7.078 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.067 -7.382 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.117 -7.982 -0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.885 -9.442 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.233 -9.049 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.827 -9.867 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.479 -10.259 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.440 -11.541 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.847 -11.935 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.100 -13.678 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.955 -13.693 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.161 -14.675 0.631 1.00 0.00 H new ATOM 547 N ALA A 38 -2.478 -5.360 -1.313 1.00 0.00 N ATOM 548 CA ALA A 38 -2.919 -4.216 -2.073 1.00 0.00 C ATOM 549 C ALA A 38 -4.022 -4.716 -3.007 1.00 0.00 C ATOM 550 O ALA A 38 -3.978 -5.854 -3.482 1.00 0.00 O ATOM 551 CB ALA A 38 -1.730 -3.627 -2.847 1.00 0.00 C ATOM 0 H ALA A 38 -2.153 -6.125 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.307 -3.420 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.062 -2.762 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.955 -3.320 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.328 -4.380 -3.525 1.00 0.00 H new ATOM 557 N GLN A 39 -4.981 -3.859 -3.348 1.00 0.00 N ATOM 558 CA GLN A 39 -6.099 -4.151 -4.246 1.00 0.00 C ATOM 559 C GLN A 39 -6.499 -2.853 -4.937 1.00 0.00 C ATOM 560 O GLN A 39 -6.002 -1.790 -4.564 1.00 0.00 O ATOM 561 CB GLN A 39 -7.279 -4.795 -3.502 1.00 0.00 C ATOM 562 CG GLN A 39 -7.922 -3.872 -2.460 1.00 0.00 C ATOM 563 CD GLN A 39 -9.034 -4.580 -1.695 1.00 0.00 C ATOM 564 OE1 GLN A 39 -8.900 -5.728 -1.283 1.00 0.00 O ATOM 565 NE2 GLN A 39 -10.152 -3.916 -1.464 1.00 0.00 N ATOM 0 H GLN A 39 -5.003 -2.903 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.790 -4.883 -4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.036 -5.094 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.934 -5.703 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.161 -3.526 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.325 -2.988 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.259 -2.962 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.909 -4.357 -0.941 1.00 0.00 H new ATOM 574 N TYR A 40 -7.384 -2.927 -5.928 1.00 0.00 N ATOM 575 CA TYR A 40 -7.835 -1.750 -6.668 1.00 0.00 C ATOM 576 C TYR A 40 -9.319 -1.431 -6.417 1.00 0.00 C ATOM 577 O TYR A 40 -9.798 -0.378 -6.830 1.00 0.00 O ATOM 578 CB TYR A 40 -7.497 -1.944 -8.151 1.00 0.00 C ATOM 579 CG TYR A 40 -6.026 -2.198 -8.464 1.00 0.00 C ATOM 580 CD1 TYR A 40 -5.099 -1.145 -8.352 1.00 0.00 C ATOM 581 CD2 TYR A 40 -5.581 -3.460 -8.912 1.00 0.00 C ATOM 582 CE1 TYR A 40 -3.751 -1.334 -8.704 1.00 0.00 C ATOM 583 CE2 TYR A 40 -4.231 -3.653 -9.272 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.312 -2.581 -9.197 1.00 0.00 C ATOM 585 OH TYR A 40 -1.996 -2.804 -9.463 1.00 0.00 O ATOM 0 H TYR A 40 -7.808 -3.801 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.305 -0.869 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.081 -2.782 -8.532 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.818 -1.057 -8.697 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.427 -0.181 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.278 -4.282 -8.980 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.048 -0.521 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.898 -4.624 -9.607 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.445 -2.225 -8.896 1.00 0.00 H new ATOM 595 N ARG A 41 -10.050 -2.316 -5.723 1.00 0.00 N ATOM 596 CA ARG A 41 -11.467 -2.156 -5.389 1.00 0.00 C ATOM 597 C ARG A 41 -11.635 -1.690 -3.954 1.00 0.00 C ATOM 598 O ARG A 41 -10.678 -1.753 -3.176 1.00 0.00 O ATOM 599 CB ARG A 41 -12.226 -3.463 -5.585 1.00 0.00 C ATOM 600 CG ARG A 41 -11.794 -4.563 -4.611 1.00 0.00 C ATOM 601 CD ARG A 41 -12.835 -5.664 -4.704 1.00 0.00 C ATOM 602 NE ARG A 41 -12.280 -6.999 -4.448 1.00 0.00 N ATOM 603 CZ ARG A 41 -11.767 -7.483 -3.314 1.00 0.00 C ATOM 604 NH1 ARG A 41 -11.824 -6.782 -2.183 1.00 0.00 N ATOM 605 NH2 ARG A 41 -11.185 -8.676 -3.365 1.00 0.00 N ATOM 0 H ARG A 41 -9.656 -3.188 -5.370 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.877 -1.402 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.293 -3.278 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.077 -3.812 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.806 -4.943 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.730 -4.176 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.632 -5.464 -3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.286 -5.648 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.287 -7.641 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.264 -5.862 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.428 -7.165 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.143 -9.186 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.780 -9.082 -2.522 1.00 0.00 H new ATOM 619 N HIS A 42 -12.837 -1.258 -3.583 1.00 0.00 N ATOM 620 CA HIS A 42 -13.066 -0.832 -2.207 1.00 0.00 C ATOM 621 C HIS A 42 -13.172 -2.084 -1.322 1.00 0.00 C ATOM 622 O HIS A 42 -13.596 -3.142 -1.804 1.00 0.00 O ATOM 623 CB HIS A 42 -14.340 0.029 -2.055 1.00 0.00 C ATOM 624 CG HIS A 42 -14.060 1.388 -1.461 1.00 0.00 C ATOM 625 ND1 HIS A 42 -13.202 2.300 -1.988 1.00 0.00 N flip ATOM 626 CD2 HIS A 42 -14.595 1.912 -0.285 1.00 0.00 C flip ATOM 627 CE1 HIS A 42 -13.207 3.391 -1.154 1.00 0.00 C flip ATOM 628 NE2 HIS A 42 -14.032 3.125 -0.127 1.00 0.00 N flip ATOM 0 H HIS A 42 -13.648 -1.194 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.228 -0.206 -1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.807 0.154 -3.032 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -15.056 -0.498 -1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.656 2.194 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -15.315 1.440 0.367 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.646 4.303 -1.298 1.00 0.00 H new ATOM 636 N PRO A 43 -12.770 -2.000 -0.047 1.00 0.00 N ATOM 637 CA PRO A 43 -12.862 -3.107 0.896 1.00 0.00 C ATOM 638 C PRO A 43 -14.326 -3.329 1.307 1.00 0.00 C ATOM 639 O PRO A 43 -15.189 -2.488 1.043 1.00 0.00 O ATOM 640 CB PRO A 43 -11.995 -2.680 2.075 1.00 0.00 C ATOM 641 CG PRO A 43 -12.038 -1.160 2.056 1.00 0.00 C ATOM 642 CD PRO A 43 -12.242 -0.806 0.590 1.00 0.00 C ATOM 0 HA PRO A 43 -12.522 -4.055 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.382 -3.075 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.975 -3.049 1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.850 -0.778 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.114 -0.731 2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.934 0.030 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.302 -0.502 0.129 1.00 0.00 H new ATOM 650 N SER A 44 -14.617 -4.432 2.000 1.00 0.00 N ATOM 651 CA SER A 44 -15.980 -4.737 2.421 1.00 0.00 C ATOM 652 C SER A 44 -15.990 -5.584 3.689 1.00 0.00 C ATOM 653 O SER A 44 -15.470 -6.703 3.680 1.00 0.00 O ATOM 654 CB SER A 44 -16.707 -5.439 1.262 1.00 0.00 C ATOM 655 OG SER A 44 -15.924 -6.478 0.694 1.00 0.00 O ATOM 0 H SER A 44 -13.925 -5.127 2.280 1.00 0.00 H new ATOM 0 HA SER A 44 -16.504 -3.813 2.664 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.650 -5.851 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.952 -4.708 0.492 1.00 0.00 H new ATOM 0 HG SER A 44 -15.451 -6.957 1.406 1.00 0.00 H new ATOM 661 N GLY A 45 -16.575 -5.069 4.772 1.00 0.00 N ATOM 662 CA GLY A 45 -16.685 -5.760 6.051 1.00 0.00 C ATOM 663 C GLY A 45 -18.059 -5.508 6.678 1.00 0.00 C ATOM 664 O GLY A 45 -18.798 -4.644 6.199 1.00 0.00 O ATOM 0 H GLY A 45 -16.994 -4.139 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.535 -6.830 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.902 -5.416 6.726 1.00 0.00 H new ATOM 668 N PRO A 46 -18.424 -6.257 7.728 1.00 0.00 N ATOM 669 CA PRO A 46 -19.693 -6.147 8.433 1.00 0.00 C ATOM 670 C PRO A 46 -19.605 -5.037 9.490 1.00 0.00 C ATOM 671 O PRO A 46 -19.429 -5.317 10.679 1.00 0.00 O ATOM 672 CB PRO A 46 -19.887 -7.540 9.043 1.00 0.00 C ATOM 673 CG PRO A 46 -18.463 -7.968 9.389 1.00 0.00 C ATOM 674 CD PRO A 46 -17.604 -7.296 8.327 1.00 0.00 C ATOM 0 HA PRO A 46 -20.537 -5.872 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.524 -7.508 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -20.354 -8.227 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.182 -7.645 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.355 -9.052 9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.702 -6.872 8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.282 -8.017 7.576 1.00 0.00 H new ATOM 682 N SER A 47 -19.728 -3.775 9.078 1.00 0.00 N ATOM 683 CA SER A 47 -19.650 -2.613 9.963 1.00 0.00 C ATOM 684 C SER A 47 -20.610 -2.680 11.157 1.00 0.00 C ATOM 685 O SER A 47 -20.284 -2.146 12.223 1.00 0.00 O ATOM 686 CB SER A 47 -19.902 -1.354 9.142 1.00 0.00 C ATOM 687 OG SER A 47 -18.968 -1.272 8.080 1.00 0.00 O ATOM 0 H SER A 47 -19.888 -3.527 8.101 1.00 0.00 H new ATOM 0 HA SER A 47 -18.650 -2.599 10.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.917 -1.367 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.820 -0.473 9.778 1.00 0.00 H new ATOM 0 HG SER A 47 -19.138 -0.461 7.557 1.00 0.00 H new ATOM 693 N SER A 48 -21.751 -3.350 11.008 1.00 0.00 N ATOM 694 CA SER A 48 -22.758 -3.531 12.041 1.00 0.00 C ATOM 695 C SER A 48 -23.049 -5.033 12.118 1.00 0.00 C ATOM 696 O SER A 48 -23.149 -5.710 11.090 1.00 0.00 O ATOM 697 CB SER A 48 -24.003 -2.707 11.694 1.00 0.00 C ATOM 698 OG SER A 48 -23.724 -1.315 11.638 1.00 0.00 O ATOM 0 H SER A 48 -22.005 -3.798 10.128 1.00 0.00 H new ATOM 0 HA SER A 48 -22.418 -3.181 13.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 -24.399 -3.036 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 48 -24.778 -2.891 12.438 1.00 0.00 H new ATOM 0 HG SER A 48 -24.543 -0.826 11.412 1.00 0.00 H new ATOM 704 N GLY A 49 -23.161 -5.578 13.325 1.00 0.00 N ATOM 705 CA GLY A 49 -23.432 -6.984 13.578 1.00 0.00 C ATOM 706 C GLY A 49 -23.555 -7.124 15.070 1.00 0.00 C ATOM 707 O GLY A 49 -22.587 -7.580 15.713 1.00 0.00 O ATOM 0 H GLY A 49 -23.062 -5.032 14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -24.349 -7.300 13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.628 -7.611 13.193 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 28.051 -1.444 0.898 1.00 0.00 N ATOM 713 CA GLY B 1 29.276 -1.964 1.521 1.00 0.00 C ATOM 714 C GLY B 1 29.020 -2.454 2.939 1.00 0.00 C ATOM 715 O GLY B 1 29.640 -1.959 3.878 1.00 0.00 O ATOM 0 H1 GLY B 1 28.263 -1.119 -0.067 1.00 0.00 H new ATOM 0 H2 GLY B 1 27.334 -2.197 0.860 1.00 0.00 H new ATOM 0 H3 GLY B 1 27.687 -0.648 1.459 1.00 0.00 H new ATOM 0 HA2 GLY B 1 29.672 -2.782 0.919 1.00 0.00 H new ATOM 0 HA3 GLY B 1 30.036 -1.183 1.537 1.00 0.00 H new ATOM 719 N SER B 2 28.098 -3.403 3.126 1.00 0.00 N ATOM 720 CA SER B 2 27.787 -3.955 4.435 1.00 0.00 C ATOM 721 C SER B 2 29.036 -4.650 4.992 1.00 0.00 C ATOM 722 O SER B 2 29.835 -5.214 4.239 1.00 0.00 O ATOM 723 CB SER B 2 26.614 -4.939 4.301 1.00 0.00 C ATOM 724 OG SER B 2 26.111 -5.314 5.570 1.00 0.00 O ATOM 0 H SER B 2 27.548 -3.807 2.368 1.00 0.00 H new ATOM 0 HA SER B 2 27.494 -3.165 5.126 1.00 0.00 H new ATOM 0 HB2 SER B 2 25.818 -4.482 3.712 1.00 0.00 H new ATOM 0 HB3 SER B 2 26.941 -5.827 3.760 1.00 0.00 H new ATOM 0 HG SER B 2 25.365 -5.939 5.455 1.00 0.00 H new ATOM 730 N SER B 3 29.180 -4.622 6.313 1.00 0.00 N ATOM 731 CA SER B 3 30.268 -5.217 7.074 1.00 0.00 C ATOM 732 C SER B 3 29.696 -5.883 8.339 1.00 0.00 C ATOM 733 O SER B 3 30.358 -5.938 9.378 1.00 0.00 O ATOM 734 CB SER B 3 31.332 -4.139 7.350 1.00 0.00 C ATOM 735 OG SER B 3 30.771 -2.948 7.884 1.00 0.00 O ATOM 0 H SER B 3 28.500 -4.156 6.914 1.00 0.00 H new ATOM 0 HA SER B 3 30.769 -6.008 6.515 1.00 0.00 H new ATOM 0 HB2 SER B 3 32.072 -4.533 8.047 1.00 0.00 H new ATOM 0 HB3 SER B 3 31.858 -3.906 6.424 1.00 0.00 H new ATOM 0 HG SER B 3 31.483 -2.294 8.044 1.00 0.00 H new ATOM 741 N GLY B 4 28.439 -6.334 8.283 1.00 0.00 N ATOM 742 CA GLY B 4 27.743 -6.977 9.383 1.00 0.00 C ATOM 743 C GLY B 4 26.322 -7.291 8.943 1.00 0.00 C ATOM 744 O GLY B 4 26.060 -8.403 8.478 1.00 0.00 O ATOM 0 H GLY B 4 27.867 -6.255 7.442 1.00 0.00 H new ATOM 0 HA2 GLY B 4 28.259 -7.892 9.674 1.00 0.00 H new ATOM 0 HA3 GLY B 4 27.733 -6.325 10.257 1.00 0.00 H new ATOM 748 N SER B 5 25.424 -6.308 9.005 1.00 0.00 N ATOM 749 CA SER B 5 24.024 -6.449 8.617 1.00 0.00 C ATOM 750 C SER B 5 23.626 -5.293 7.702 1.00 0.00 C ATOM 751 O SER B 5 24.140 -4.184 7.854 1.00 0.00 O ATOM 752 CB SER B 5 23.145 -6.475 9.872 1.00 0.00 C ATOM 753 OG SER B 5 23.682 -7.355 10.843 1.00 0.00 O ATOM 0 H SER B 5 25.657 -5.371 9.334 1.00 0.00 H new ATOM 0 HA SER B 5 23.884 -7.384 8.074 1.00 0.00 H new ATOM 0 HB2 SER B 5 23.067 -5.471 10.288 1.00 0.00 H new ATOM 0 HB3 SER B 5 22.135 -6.790 9.608 1.00 0.00 H new ATOM 0 HG SER B 5 23.107 -7.356 11.637 1.00 0.00 H new ATOM 759 N SER B 6 22.756 -5.531 6.720 1.00 0.00 N ATOM 760 CA SER B 6 22.327 -4.465 5.825 1.00 0.00 C ATOM 761 C SER B 6 21.493 -3.494 6.660 1.00 0.00 C ATOM 762 O SER B 6 20.687 -3.925 7.490 1.00 0.00 O ATOM 763 CB SER B 6 21.558 -5.048 4.641 1.00 0.00 C ATOM 764 OG SER B 6 22.394 -5.973 3.954 1.00 0.00 O ATOM 0 H SER B 6 22.341 -6.443 6.528 1.00 0.00 H new ATOM 0 HA SER B 6 23.172 -3.929 5.393 1.00 0.00 H new ATOM 0 HB2 SER B 6 20.653 -5.545 4.989 1.00 0.00 H new ATOM 0 HB3 SER B 6 21.245 -4.251 3.967 1.00 0.00 H new ATOM 0 HG SER B 6 21.906 -6.353 3.194 1.00 0.00 H new ATOM 770 N GLY B 7 21.730 -2.200 6.481 1.00 0.00 N ATOM 771 CA GLY B 7 21.040 -1.150 7.202 1.00 0.00 C ATOM 772 C GLY B 7 19.537 -1.170 6.946 1.00 0.00 C ATOM 773 O GLY B 7 19.050 -1.878 6.057 1.00 0.00 O ATOM 0 H GLY B 7 22.421 -1.850 5.817 1.00 0.00 H new ATOM 0 HA2 GLY B 7 21.227 -1.261 8.270 1.00 0.00 H new ATOM 0 HA3 GLY B 7 21.445 -0.182 6.907 1.00 0.00 H new ATOM 777 N PRO B 8 18.773 -0.401 7.732 1.00 0.00 N ATOM 778 CA PRO B 8 17.331 -0.332 7.575 1.00 0.00 C ATOM 779 C PRO B 8 16.976 0.419 6.293 1.00 0.00 C ATOM 780 O PRO B 8 15.972 0.130 5.646 1.00 0.00 O ATOM 781 CB PRO B 8 16.840 0.411 8.815 1.00 0.00 C ATOM 782 CG PRO B 8 18.021 1.293 9.225 1.00 0.00 C ATOM 783 CD PRO B 8 19.237 0.471 8.802 1.00 0.00 C ATOM 0 HA PRO B 8 16.867 -1.315 7.489 1.00 0.00 H new ATOM 0 HB2 PRO B 8 15.955 1.009 8.595 1.00 0.00 H new ATOM 0 HB3 PRO B 8 16.567 -0.282 9.611 1.00 0.00 H new ATOM 0 HG2 PRO B 8 17.994 2.260 8.722 1.00 0.00 H new ATOM 0 HG3 PRO B 8 18.022 1.491 10.297 1.00 0.00 H new ATOM 0 HD2 PRO B 8 20.045 1.117 8.458 1.00 0.00 H new ATOM 0 HD3 PRO B 8 19.627 -0.109 9.638 1.00 0.00 H new ATOM 791 N LEU B 9 17.772 1.429 5.957 1.00 0.00 N ATOM 792 CA LEU B 9 17.603 2.258 4.790 1.00 0.00 C ATOM 793 C LEU B 9 18.922 2.959 4.498 1.00 0.00 C ATOM 794 O LEU B 9 19.761 3.166 5.385 1.00 0.00 O ATOM 795 CB LEU B 9 16.438 3.262 4.971 1.00 0.00 C ATOM 796 CG LEU B 9 16.155 3.831 6.378 1.00 0.00 C ATOM 797 CD1 LEU B 9 17.301 4.671 6.950 1.00 0.00 C ATOM 798 CD2 LEU B 9 14.905 4.708 6.313 1.00 0.00 C ATOM 0 H LEU B 9 18.581 1.695 6.518 1.00 0.00 H new ATOM 0 HA LEU B 9 17.334 1.637 3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 9 16.623 4.105 4.306 1.00 0.00 H new ATOM 0 HB3 LEU B 9 15.527 2.776 4.623 1.00 0.00 H new ATOM 0 HG LEU B 9 16.026 2.974 7.038 1.00 0.00 H new ATOM 0 HD11 LEU B 9 17.026 5.035 7.940 1.00 0.00 H new ATOM 0 HD12 LEU B 9 18.199 4.058 7.025 1.00 0.00 H new ATOM 0 HD13 LEU B 9 17.494 5.519 6.293 1.00 0.00 H new ATOM 0 HD21 LEU B 9 14.695 5.116 7.302 1.00 0.00 H new ATOM 0 HD22 LEU B 9 15.070 5.525 5.611 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.057 4.109 5.980 1.00 0.00 H new ATOM 810 N GLU B 10 19.065 3.357 3.241 1.00 0.00 N ATOM 811 CA GLU B 10 20.214 4.061 2.698 1.00 0.00 C ATOM 812 C GLU B 10 19.834 5.504 2.361 1.00 0.00 C ATOM 813 O GLU B 10 20.692 6.248 1.896 1.00 0.00 O ATOM 814 CB GLU B 10 20.801 3.282 1.501 1.00 0.00 C ATOM 815 CG GLU B 10 21.763 2.144 1.885 1.00 0.00 C ATOM 816 CD GLU B 10 21.125 0.930 2.573 1.00 0.00 C ATOM 817 OE1 GLU B 10 20.501 0.081 1.887 1.00 0.00 O ATOM 818 OE2 GLU B 10 21.382 0.718 3.779 1.00 0.00 O ATOM 0 H GLU B 10 18.345 3.188 2.539 1.00 0.00 H new ATOM 0 HA GLU B 10 21.006 4.116 3.445 1.00 0.00 H new ATOM 0 HB2 GLU B 10 19.980 2.864 0.919 1.00 0.00 H new ATOM 0 HB3 GLU B 10 21.328 3.982 0.853 1.00 0.00 H new ATOM 0 HG2 GLU B 10 22.268 1.801 0.982 1.00 0.00 H new ATOM 0 HG3 GLU B 10 22.530 2.550 2.545 1.00 0.00 H new ATOM 825 N ARG B 11 18.607 5.939 2.678 1.00 0.00 N ATOM 826 CA ARG B 11 18.034 7.277 2.461 1.00 0.00 C ATOM 827 C ARG B 11 17.738 7.572 0.989 1.00 0.00 C ATOM 828 O ARG B 11 17.242 8.655 0.675 1.00 0.00 O ATOM 829 CB ARG B 11 18.943 8.383 3.031 1.00 0.00 C ATOM 830 CG ARG B 11 19.486 8.141 4.441 1.00 0.00 C ATOM 831 CD ARG B 11 20.185 9.417 4.930 1.00 0.00 C ATOM 832 NE ARG B 11 20.967 9.181 6.151 1.00 0.00 N ATOM 833 CZ ARG B 11 21.868 10.021 6.671 1.00 0.00 C ATOM 834 NH1 ARG B 11 22.025 11.256 6.207 1.00 0.00 N ATOM 835 NH2 ARG B 11 22.629 9.614 7.675 1.00 0.00 N ATOM 0 H ARG B 11 17.936 5.317 3.128 1.00 0.00 H new ATOM 0 HA ARG B 11 17.085 7.275 2.998 1.00 0.00 H new ATOM 0 HB2 ARG B 11 19.788 8.516 2.355 1.00 0.00 H new ATOM 0 HB3 ARG B 11 18.385 9.320 3.033 1.00 0.00 H new ATOM 0 HG2 ARG B 11 18.674 7.873 5.117 1.00 0.00 H new ATOM 0 HG3 ARG B 11 20.186 7.305 4.437 1.00 0.00 H new ATOM 0 HD2 ARG B 11 20.842 9.794 4.146 1.00 0.00 H new ATOM 0 HD3 ARG B 11 19.439 10.189 5.120 1.00 0.00 H new ATOM 0 HE ARG B 11 20.809 8.302 6.644 1.00 0.00 H new ATOM 0 HH11 ARG B 11 21.449 11.587 5.433 1.00 0.00 H new ATOM 0 HH12 ARG B 11 22.721 11.873 6.625 1.00 0.00 H new ATOM 0 HH21 ARG B 11 22.524 8.669 8.044 1.00 0.00 H new ATOM 0 HH22 ARG B 11 23.320 10.246 8.080 1.00 0.00 H new ATOM 849 N GLU B 12 18.064 6.650 0.095 1.00 0.00 N ATOM 850 CA GLU B 12 17.879 6.738 -1.346 1.00 0.00 C ATOM 851 C GLU B 12 16.387 6.688 -1.700 1.00 0.00 C ATOM 852 O GLU B 12 15.534 6.469 -0.836 1.00 0.00 O ATOM 853 CB GLU B 12 18.599 5.540 -1.990 1.00 0.00 C ATOM 854 CG GLU B 12 20.078 5.388 -1.591 1.00 0.00 C ATOM 855 CD GLU B 12 21.017 6.440 -2.188 1.00 0.00 C ATOM 856 OE1 GLU B 12 20.776 6.951 -3.305 1.00 0.00 O ATOM 857 OE2 GLU B 12 22.077 6.688 -1.575 1.00 0.00 O ATOM 0 H GLU B 12 18.491 5.766 0.374 1.00 0.00 H new ATOM 0 HA GLU B 12 18.287 7.679 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU B 12 18.068 4.627 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU B 12 18.537 5.636 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU B 12 20.152 5.430 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU B 12 20.422 4.400 -1.896 1.00 0.00 H new ATOM 864 N GLY B 13 16.066 6.888 -2.978 1.00 0.00 N ATOM 865 CA GLY B 13 14.695 6.839 -3.472 1.00 0.00 C ATOM 866 C GLY B 13 14.259 5.378 -3.645 1.00 0.00 C ATOM 867 O GLY B 13 14.993 4.449 -3.285 1.00 0.00 O ATOM 0 H GLY B 13 16.756 7.090 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY B 13 14.029 7.347 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY B 13 14.622 7.365 -4.424 1.00 0.00 H new ATOM 871 N LEU B 14 13.056 5.151 -4.175 1.00 0.00 N ATOM 872 CA LEU B 14 12.518 3.808 -4.407 1.00 0.00 C ATOM 873 C LEU B 14 12.694 3.393 -5.870 1.00 0.00 C ATOM 874 O LEU B 14 12.822 4.258 -6.740 1.00 0.00 O ATOM 875 CB LEU B 14 11.017 3.779 -4.064 1.00 0.00 C ATOM 876 CG LEU B 14 10.692 3.732 -2.563 1.00 0.00 C ATOM 877 CD1 LEU B 14 9.173 3.704 -2.390 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.237 2.474 -1.875 1.00 0.00 C ATOM 0 H LEU B 14 12.423 5.899 -4.458 1.00 0.00 H new ATOM 0 HA LEU B 14 13.064 3.113 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.545 4.662 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.567 2.910 -4.545 1.00 0.00 H new ATOM 0 HG LEU B 14 11.155 4.609 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU B 14 8.928 3.671 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.740 4.600 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.767 2.821 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU B 14 10.977 2.496 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU B 14 10.801 1.589 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.321 2.442 -1.981 1.00 0.00 H new ATOM 890 N PRO B 15 12.682 2.083 -6.170 1.00 0.00 N ATOM 891 CA PRO B 15 12.810 1.596 -7.535 1.00 0.00 C ATOM 892 C PRO B 15 11.532 1.885 -8.347 1.00 0.00 C ATOM 893 O PRO B 15 10.462 2.115 -7.769 1.00 0.00 O ATOM 894 CB PRO B 15 13.125 0.104 -7.415 1.00 0.00 C ATOM 895 CG PRO B 15 12.444 -0.272 -6.111 1.00 0.00 C ATOM 896 CD PRO B 15 12.565 0.972 -5.240 1.00 0.00 C ATOM 0 HA PRO B 15 13.605 2.103 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.730 -0.463 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.198 -0.083 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.401 -0.542 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO B 15 12.927 -1.131 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO B 15 11.693 1.088 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.436 0.912 -4.588 1.00 0.00 H new ATOM 904 N PRO B 16 11.617 1.862 -9.688 1.00 0.00 N ATOM 905 CA PRO B 16 10.482 2.113 -10.564 1.00 0.00 C ATOM 906 C PRO B 16 9.464 0.990 -10.380 1.00 0.00 C ATOM 907 O PRO B 16 9.765 -0.172 -10.652 1.00 0.00 O ATOM 908 CB PRO B 16 11.049 2.197 -11.984 1.00 0.00 C ATOM 909 CG PRO B 16 12.362 1.419 -11.909 1.00 0.00 C ATOM 910 CD PRO B 16 12.817 1.596 -10.465 1.00 0.00 C ATOM 0 HA PRO B 16 9.956 3.041 -10.341 1.00 0.00 H new ATOM 0 HB2 PRO B 16 10.367 1.758 -12.712 1.00 0.00 H new ATOM 0 HB3 PRO B 16 11.215 3.231 -12.286 1.00 0.00 H new ATOM 0 HG2 PRO B 16 12.217 0.367 -12.155 1.00 0.00 H new ATOM 0 HG3 PRO B 16 13.099 1.812 -12.610 1.00 0.00 H new ATOM 0 HD2 PRO B 16 13.323 0.700 -10.104 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.526 2.419 -10.379 1.00 0.00 H new ATOM 918 N GLY B 17 8.276 1.317 -9.873 1.00 0.00 N ATOM 919 CA GLY B 17 7.190 0.373 -9.627 1.00 0.00 C ATOM 920 C GLY B 17 6.858 0.237 -8.141 1.00 0.00 C ATOM 921 O GLY B 17 5.770 -0.233 -7.811 1.00 0.00 O ATOM 0 H GLY B 17 8.037 2.274 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY B 17 6.301 0.699 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.465 -0.604 -10.026 1.00 0.00 H new ATOM 925 N TRP B 18 7.774 0.584 -7.234 1.00 0.00 N ATOM 926 CA TRP B 18 7.502 0.509 -5.803 1.00 0.00 C ATOM 927 C TRP B 18 6.864 1.823 -5.372 1.00 0.00 C ATOM 928 O TRP B 18 6.960 2.828 -6.074 1.00 0.00 O ATOM 929 CB TRP B 18 8.791 0.256 -5.020 1.00 0.00 C ATOM 930 CG TRP B 18 9.043 -1.189 -4.748 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.586 -2.077 -5.608 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.696 -1.943 -3.550 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.628 -3.321 -5.012 1.00 0.00 N ATOM 934 CE2 TRP B 18 9.074 -3.302 -3.749 1.00 0.00 C ATOM 935 CE3 TRP B 18 8.072 -1.616 -2.327 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.848 -4.287 -2.776 1.00 0.00 C ATOM 937 CZ3 TRP B 18 7.840 -2.594 -1.342 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.248 -3.922 -1.557 1.00 0.00 C ATOM 0 H TRP B 18 8.709 0.919 -7.468 1.00 0.00 H new ATOM 0 HA TRP B 18 6.826 -0.321 -5.597 1.00 0.00 H new ATOM 0 HB2 TRP B 18 9.633 0.666 -5.578 1.00 0.00 H new ATOM 0 HB3 TRP B 18 8.744 0.794 -4.073 1.00 0.00 H new ATOM 0 HD1 TRP B 18 9.933 -1.850 -6.605 1.00 0.00 H new ATOM 0 HE1 TRP B 18 10.021 -4.153 -5.452 1.00 0.00 H new ATOM 0 HE3 TRP B 18 7.767 -0.596 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 9.131 -5.313 -2.960 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.348 -2.324 -0.419 1.00 0.00 H new ATOM 0 HH2 TRP B 18 8.101 -4.663 -0.785 1.00 0.00 H new ATOM 949 N GLU B 19 6.246 1.844 -4.191 1.00 0.00 N ATOM 950 CA GLU B 19 5.614 3.046 -3.669 1.00 0.00 C ATOM 951 C GLU B 19 5.764 3.122 -2.149 1.00 0.00 C ATOM 952 O GLU B 19 5.861 2.090 -1.474 1.00 0.00 O ATOM 953 CB GLU B 19 4.129 2.992 -4.054 1.00 0.00 C ATOM 954 CG GLU B 19 3.410 4.342 -3.971 1.00 0.00 C ATOM 955 CD GLU B 19 3.775 5.255 -5.148 1.00 0.00 C ATOM 956 OE1 GLU B 19 4.932 5.721 -5.254 1.00 0.00 O ATOM 957 OE2 GLU B 19 2.888 5.473 -6.005 1.00 0.00 O ATOM 0 H GLU B 19 6.172 1.033 -3.577 1.00 0.00 H new ATOM 0 HA GLU B 19 6.089 3.933 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.042 2.609 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.621 2.282 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.332 4.180 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.670 4.835 -3.034 1.00 0.00 H new ATOM 964 N ARG B 20 5.761 4.345 -1.615 1.00 0.00 N ATOM 965 CA ARG B 20 5.862 4.668 -0.201 1.00 0.00 C ATOM 966 C ARG B 20 4.531 5.263 0.214 1.00 0.00 C ATOM 967 O ARG B 20 4.007 6.146 -0.468 1.00 0.00 O ATOM 968 CB ARG B 20 6.958 5.722 0.014 1.00 0.00 C ATOM 969 CG ARG B 20 7.247 6.006 1.491 1.00 0.00 C ATOM 970 CD ARG B 20 8.331 7.082 1.614 1.00 0.00 C ATOM 971 NE ARG B 20 7.791 8.451 1.597 1.00 0.00 N ATOM 972 CZ ARG B 20 8.000 9.428 0.704 1.00 0.00 C ATOM 973 NH1 ARG B 20 8.550 9.205 -0.482 1.00 0.00 N ATOM 974 NH2 ARG B 20 7.675 10.666 1.047 1.00 0.00 N ATOM 0 H ARG B 20 5.683 5.180 -2.196 1.00 0.00 H new ATOM 0 HA ARG B 20 6.105 3.778 0.379 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.875 5.386 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG B 20 6.661 6.650 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.337 6.336 1.992 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.571 5.092 1.989 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.884 6.928 2.540 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.042 6.968 0.796 1.00 0.00 H new ATOM 0 HE ARG B 20 7.172 8.689 2.372 1.00 0.00 H new ATOM 0 HH11 ARG B 20 8.832 8.260 -0.744 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.691 9.978 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG B 20 7.278 10.853 1.968 1.00 0.00 H new ATOM 0 HH22 ARG B 20 7.822 11.432 0.390 1.00 0.00 H new ATOM 988 N VAL B 21 3.991 4.821 1.336 1.00 0.00 N ATOM 989 CA VAL B 21 2.736 5.331 1.855 1.00 0.00 C ATOM 990 C VAL B 21 3.039 5.953 3.213 1.00 0.00 C ATOM 991 O VAL B 21 3.644 5.294 4.063 1.00 0.00 O ATOM 992 CB VAL B 21 1.697 4.210 1.953 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.385 4.827 2.450 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.496 3.487 0.613 1.00 0.00 C ATOM 0 H VAL B 21 4.413 4.095 1.915 1.00 0.00 H new ATOM 0 HA VAL B 21 2.307 6.082 1.191 1.00 0.00 H new ATOM 0 HB VAL B 21 2.049 3.452 2.652 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.375 4.050 2.530 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.544 5.281 3.428 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.052 5.590 1.746 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.751 2.701 0.732 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.155 4.200 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.440 3.046 0.292 1.00 0.00 H new ATOM 1004 N GLU B 22 2.618 7.193 3.436 1.00 0.00 N ATOM 1005 CA GLU B 22 2.822 7.933 4.675 1.00 0.00 C ATOM 1006 C GLU B 22 1.461 8.065 5.358 1.00 0.00 C ATOM 1007 O GLU B 22 0.433 8.196 4.698 1.00 0.00 O ATOM 1008 CB GLU B 22 3.535 9.267 4.384 1.00 0.00 C ATOM 1009 CG GLU B 22 4.839 8.975 3.621 1.00 0.00 C ATOM 1010 CD GLU B 22 5.817 10.136 3.518 1.00 0.00 C ATOM 1011 OE1 GLU B 22 5.519 11.190 2.909 1.00 0.00 O ATOM 1012 OE2 GLU B 22 6.991 9.922 3.909 1.00 0.00 O ATOM 0 H GLU B 22 2.107 7.729 2.734 1.00 0.00 H new ATOM 0 HA GLU B 22 3.485 7.413 5.367 1.00 0.00 H new ATOM 0 HB2 GLU B 22 2.890 9.919 3.794 1.00 0.00 H new ATOM 0 HB3 GLU B 22 3.752 9.790 5.315 1.00 0.00 H new ATOM 0 HG2 GLU B 22 5.344 8.141 4.108 1.00 0.00 H new ATOM 0 HG3 GLU B 22 4.583 8.649 2.613 1.00 0.00 H new ATOM 1019 N SER B 23 1.446 7.952 6.682 1.00 0.00 N ATOM 1020 CA SER B 23 0.257 8.019 7.515 1.00 0.00 C ATOM 1021 C SER B 23 0.648 8.514 8.909 1.00 0.00 C ATOM 1022 O SER B 23 1.771 8.958 9.161 1.00 0.00 O ATOM 1023 CB SER B 23 -0.334 6.596 7.572 1.00 0.00 C ATOM 1024 OG SER B 23 -1.637 6.524 8.112 1.00 0.00 O ATOM 0 H SER B 23 2.298 7.805 7.223 1.00 0.00 H new ATOM 0 HA SER B 23 -0.483 8.711 7.113 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.349 6.182 6.564 1.00 0.00 H new ATOM 0 HB3 SER B 23 0.327 5.965 8.166 1.00 0.00 H new ATOM 0 HG SER B 23 -2.209 5.997 7.516 1.00 0.00 H new ATOM 1030 N SER B 24 -0.304 8.420 9.825 1.00 0.00 N ATOM 1031 CA SER B 24 -0.192 8.774 11.227 1.00 0.00 C ATOM 1032 C SER B 24 -0.726 7.596 12.030 1.00 0.00 C ATOM 1033 O SER B 24 -0.131 7.243 13.043 1.00 0.00 O ATOM 1034 CB SER B 24 -0.919 10.076 11.530 1.00 0.00 C ATOM 1035 OG SER B 24 -0.245 11.141 10.882 1.00 0.00 O ATOM 0 H SER B 24 -1.234 8.072 9.591 1.00 0.00 H new ATOM 0 HA SER B 24 0.846 8.960 11.502 1.00 0.00 H new ATOM 0 HB2 SER B 24 -1.952 10.019 11.187 1.00 0.00 H new ATOM 0 HB3 SER B 24 -0.950 10.249 12.606 1.00 0.00 H new ATOM 0 HG SER B 24 -0.708 11.984 11.071 1.00 0.00 H new ATOM 1041 N GLU B 25 -1.791 6.942 11.558 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.353 5.785 12.235 1.00 0.00 C ATOM 1043 C GLU B 25 -1.357 4.621 12.164 1.00 0.00 C ATOM 1044 O GLU B 25 -1.327 3.786 13.066 1.00 0.00 O ATOM 1045 CB GLU B 25 -3.671 5.396 11.537 1.00 0.00 C ATOM 1046 CG GLU B 25 -4.471 4.280 12.222 1.00 0.00 C ATOM 1047 CD GLU B 25 -5.195 4.739 13.490 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -4.598 5.471 14.314 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -6.370 4.346 13.679 1.00 0.00 O ATOM 0 H GLU B 25 -2.280 7.202 10.702 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.549 6.019 13.281 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.302 6.282 11.468 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.445 5.085 10.517 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.203 3.884 11.518 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.796 3.462 12.474 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.511 4.609 11.124 1.00 0.00 N ATOM 1057 CA PHE B 26 0.475 3.565 10.883 1.00 0.00 C ATOM 1058 C PHE B 26 1.919 4.075 10.824 1.00 0.00 C ATOM 1059 O PHE B 26 2.842 3.314 11.135 1.00 0.00 O ATOM 1060 CB PHE B 26 0.094 2.856 9.580 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.397 2.581 9.424 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.089 1.801 10.373 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.097 3.116 8.325 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.459 1.532 10.207 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.470 2.861 8.171 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.149 2.067 9.107 1.00 0.00 C ATOM 0 H PHE B 26 -0.499 5.344 10.416 1.00 0.00 H new ATOM 0 HA PHE B 26 0.456 2.879 11.730 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.429 3.463 8.739 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.633 1.910 9.524 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.564 1.408 11.231 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.577 3.724 7.599 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -3.980 0.915 10.924 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.004 3.277 7.330 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.203 1.867 8.982 1.00 0.00 H new ATOM 1076 N GLY B 27 2.132 5.343 10.461 1.00 0.00 N ATOM 1077 CA GLY B 27 3.440 5.978 10.366 1.00 0.00 C ATOM 1078 C GLY B 27 3.906 6.011 8.918 1.00 0.00 C ATOM 1079 O GLY B 27 3.631 6.969 8.198 1.00 0.00 O ATOM 0 H GLY B 27 1.368 5.974 10.218 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.389 6.992 10.762 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.161 5.434 10.975 1.00 0.00 H new ATOM 1083 N THR B 28 4.641 5.006 8.452 1.00 0.00 N ATOM 1084 CA THR B 28 5.113 4.958 7.069 1.00 0.00 C ATOM 1085 C THR B 28 5.355 3.503 6.668 1.00 0.00 C ATOM 1086 O THR B 28 5.883 2.719 7.460 1.00 0.00 O ATOM 1087 CB THR B 28 6.392 5.812 6.894 1.00 0.00 C ATOM 1088 OG1 THR B 28 6.174 7.152 7.311 1.00 0.00 O ATOM 1089 CG2 THR B 28 6.867 5.876 5.435 1.00 0.00 C ATOM 0 H THR B 28 4.926 4.206 9.017 1.00 0.00 H new ATOM 0 HA THR B 28 4.352 5.380 6.413 1.00 0.00 H new ATOM 0 HB THR B 28 7.149 5.323 7.507 1.00 0.00 H new ATOM 0 HG1 THR B 28 5.212 7.312 7.407 1.00 0.00 H new ATOM 0 HG21 THR B 28 7.767 6.488 5.372 1.00 0.00 H new ATOM 0 HG22 THR B 28 7.087 4.869 5.079 1.00 0.00 H new ATOM 0 HG23 THR B 28 6.085 6.316 4.817 1.00 0.00 H new ATOM 1097 N TYR B 29 4.946 3.104 5.465 1.00 0.00 N ATOM 1098 CA TYR B 29 5.174 1.749 4.971 1.00 0.00 C ATOM 1099 C TYR B 29 5.400 1.795 3.459 1.00 0.00 C ATOM 1100 O TYR B 29 5.354 2.867 2.854 1.00 0.00 O ATOM 1101 CB TYR B 29 4.057 0.802 5.413 1.00 0.00 C ATOM 1102 CG TYR B 29 2.691 1.123 4.860 1.00 0.00 C ATOM 1103 CD1 TYR B 29 2.285 0.590 3.624 1.00 0.00 C ATOM 1104 CD2 TYR B 29 1.821 1.942 5.598 1.00 0.00 C ATOM 1105 CE1 TYR B 29 1.006 0.882 3.132 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.552 2.263 5.093 1.00 0.00 C ATOM 1107 CZ TYR B 29 0.139 1.725 3.857 1.00 0.00 C ATOM 1108 OH TYR B 29 -1.092 2.003 3.355 1.00 0.00 O ATOM 0 H TYR B 29 4.450 3.708 4.809 1.00 0.00 H new ATOM 0 HA TYR B 29 6.079 1.334 5.414 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.323 -0.212 5.116 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.003 0.812 6.502 1.00 0.00 H new ATOM 0 HD1 TYR B 29 2.955 -0.040 3.058 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.130 2.326 6.559 1.00 0.00 H new ATOM 0 HE1 TYR B 29 0.683 0.459 2.192 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -0.104 2.918 5.647 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.734 1.335 3.674 1.00 0.00 H new ATOM 1118 N TYR B 30 5.642 0.643 2.833 1.00 0.00 N ATOM 1119 CA TYR B 30 5.898 0.545 1.406 1.00 0.00 C ATOM 1120 C TYR B 30 5.036 -0.554 0.813 1.00 0.00 C ATOM 1121 O TYR B 30 4.677 -1.518 1.503 1.00 0.00 O ATOM 1122 CB TYR B 30 7.382 0.231 1.177 1.00 0.00 C ATOM 1123 CG TYR B 30 8.341 1.075 1.994 1.00 0.00 C ATOM 1124 CD1 TYR B 30 8.645 0.677 3.305 1.00 0.00 C ATOM 1125 CD2 TYR B 30 8.882 2.268 1.482 1.00 0.00 C ATOM 1126 CE1 TYR B 30 9.465 1.474 4.112 1.00 0.00 C ATOM 1127 CE2 TYR B 30 9.730 3.062 2.280 1.00 0.00 C ATOM 1128 CZ TYR B 30 10.018 2.670 3.610 1.00 0.00 C ATOM 1129 OH TYR B 30 10.812 3.431 4.414 1.00 0.00 O ATOM 0 H TYR B 30 5.665 -0.256 3.314 1.00 0.00 H new ATOM 0 HA TYR B 30 5.653 1.490 0.921 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.557 -0.820 1.408 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.609 0.367 0.120 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.245 -0.248 3.693 1.00 0.00 H new ATOM 0 HD2 TYR B 30 8.647 2.577 0.474 1.00 0.00 H new ATOM 0 HE1 TYR B 30 9.676 1.171 5.127 1.00 0.00 H new ATOM 0 HE2 TYR B 30 10.159 3.968 1.878 1.00 0.00 H new ATOM 0 HH TYR B 30 11.115 4.222 3.921 1.00 0.00 H new ATOM 1139 N VAL B 31 4.750 -0.432 -0.479 1.00 0.00 N ATOM 1140 CA VAL B 31 3.939 -1.392 -1.214 1.00 0.00 C ATOM 1141 C VAL B 31 4.600 -1.708 -2.557 1.00 0.00 C ATOM 1142 O VAL B 31 5.152 -0.829 -3.227 1.00 0.00 O ATOM 1143 CB VAL B 31 2.507 -0.849 -1.373 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.582 -1.879 -2.034 1.00 0.00 C ATOM 1145 CG2 VAL B 31 1.862 -0.460 -0.042 1.00 0.00 C ATOM 0 H VAL B 31 5.079 0.346 -1.051 1.00 0.00 H new ATOM 0 HA VAL B 31 3.870 -2.328 -0.660 1.00 0.00 H new ATOM 0 HB VAL B 31 2.616 0.037 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.580 -1.460 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.966 -2.131 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.542 -2.779 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.854 -0.085 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.813 -1.334 0.608 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.458 0.316 0.438 1.00 0.00 H new ATOM 1155 N ASP B 32 4.503 -2.978 -2.938 1.00 0.00 N ATOM 1156 CA ASP B 32 5.019 -3.603 -4.148 1.00 0.00 C ATOM 1157 C ASP B 32 3.891 -3.819 -5.146 1.00 0.00 C ATOM 1158 O ASP B 32 2.865 -4.403 -4.793 1.00 0.00 O ATOM 1159 CB ASP B 32 5.581 -4.972 -3.721 1.00 0.00 C ATOM 1160 CG ASP B 32 6.263 -5.769 -4.829 1.00 0.00 C ATOM 1161 OD1 ASP B 32 6.207 -5.348 -5.996 1.00 0.00 O ATOM 1162 OD2 ASP B 32 6.778 -6.873 -4.527 1.00 0.00 O ATOM 0 H ASP B 32 4.016 -3.657 -2.353 1.00 0.00 H new ATOM 0 HA ASP B 32 5.778 -2.978 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.297 -4.817 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.766 -5.570 -3.314 1.00 0.00 H new ATOM 1167 N HIS B 33 4.033 -3.325 -6.375 1.00 0.00 N ATOM 1168 CA HIS B 33 3.026 -3.498 -7.422 1.00 0.00 C ATOM 1169 C HIS B 33 3.222 -4.835 -8.145 1.00 0.00 C ATOM 1170 O HIS B 33 2.281 -5.322 -8.766 1.00 0.00 O ATOM 1171 CB HIS B 33 3.049 -2.304 -8.387 1.00 0.00 C ATOM 1172 CG HIS B 33 1.964 -1.292 -8.104 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.662 -1.301 -8.629 1.00 0.00 N ATOM 1174 CD2 HIS B 33 2.106 -0.217 -7.280 1.00 0.00 C ATOM 1175 CE1 HIS B 33 0.074 -0.198 -8.135 1.00 0.00 C ATOM 1176 NE2 HIS B 33 0.909 0.457 -7.317 1.00 0.00 N ATOM 0 H HIS B 33 4.850 -2.793 -6.674 1.00 0.00 H new ATOM 0 HA HIS B 33 2.037 -3.526 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.020 -1.813 -8.325 1.00 0.00 H new ATOM 0 HB3 HIS B 33 2.940 -2.668 -9.409 1.00 0.00 H new ATOM 0 HD2 HIS B 33 2.984 0.052 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -0.933 0.117 -8.366 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.692 1.313 -6.807 1.00 0.00 H new ATOM 1184 N THR B 34 4.404 -5.455 -8.072 1.00 0.00 N ATOM 1185 CA THR B 34 4.715 -6.733 -8.704 1.00 0.00 C ATOM 1186 C THR B 34 4.024 -7.874 -7.958 1.00 0.00 C ATOM 1187 O THR B 34 3.584 -8.831 -8.593 1.00 0.00 O ATOM 1188 CB THR B 34 6.250 -6.910 -8.726 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.871 -5.798 -9.357 1.00 0.00 O ATOM 1190 CG2 THR B 34 6.714 -8.171 -9.449 1.00 0.00 C ATOM 0 H THR B 34 5.192 -5.066 -7.555 1.00 0.00 H new ATOM 0 HA THR B 34 4.344 -6.750 -9.729 1.00 0.00 H new ATOM 0 HB THR B 34 6.542 -6.992 -7.679 1.00 0.00 H new ATOM 0 HG1 THR B 34 7.843 -5.925 -9.361 1.00 0.00 H new ATOM 0 HG21 THR B 34 7.802 -8.226 -9.423 1.00 0.00 H new ATOM 0 HG22 THR B 34 6.294 -9.048 -8.956 1.00 0.00 H new ATOM 0 HG23 THR B 34 6.377 -8.141 -10.485 1.00 0.00 H new ATOM 1198 N ASN B 35 3.854 -7.761 -6.636 1.00 0.00 N ATOM 1199 CA ASN B 35 3.224 -8.810 -5.825 1.00 0.00 C ATOM 1200 C ASN B 35 2.018 -8.329 -5.031 1.00 0.00 C ATOM 1201 O ASN B 35 1.382 -9.145 -4.370 1.00 0.00 O ATOM 1202 CB ASN B 35 4.259 -9.433 -4.879 1.00 0.00 C ATOM 1203 CG ASN B 35 5.389 -10.087 -5.644 1.00 0.00 C ATOM 1204 OD1 ASN B 35 5.282 -11.227 -6.090 1.00 0.00 O ATOM 1205 ND2 ASN B 35 6.469 -9.358 -5.838 1.00 0.00 N ATOM 0 H ASN B 35 4.147 -6.944 -6.100 1.00 0.00 H new ATOM 0 HA ASN B 35 2.852 -9.557 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.662 -8.663 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.773 -10.173 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.250 -9.737 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.524 -8.415 -5.453 1.00 0.00 H new ATOM 1212 N LYS B 36 1.687 -7.034 -5.089 1.00 0.00 N ATOM 1213 CA LYS B 36 0.560 -6.425 -4.374 1.00 0.00 C ATOM 1214 C LYS B 36 0.651 -6.714 -2.874 1.00 0.00 C ATOM 1215 O LYS B 36 -0.359 -7.010 -2.237 1.00 0.00 O ATOM 1216 CB LYS B 36 -0.776 -6.841 -5.028 1.00 0.00 C ATOM 1217 CG LYS B 36 -0.926 -6.300 -6.458 1.00 0.00 C ATOM 1218 CD LYS B 36 -1.391 -4.846 -6.557 1.00 0.00 C ATOM 1219 CE LYS B 36 -2.892 -4.754 -6.285 1.00 0.00 C ATOM 1220 NZ LYS B 36 -3.385 -3.364 -6.264 1.00 0.00 N ATOM 0 H LYS B 36 2.210 -6.362 -5.650 1.00 0.00 H new ATOM 0 HA LYS B 36 0.606 -5.339 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -0.845 -7.929 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.603 -6.479 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS B 36 0.033 -6.394 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -1.635 -6.929 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -0.846 -4.232 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -1.169 -4.452 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -3.430 -5.314 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -3.113 -5.228 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -4.106 -3.263 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -2.594 -2.718 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -3.803 -3.130 -7.187 1.00 0.00 H new ATOM 1234 N ARG B 37 1.860 -6.654 -2.304 1.00 0.00 N ATOM 1235 CA ARG B 37 2.098 -6.900 -0.882 1.00 0.00 C ATOM 1236 C ARG B 37 2.596 -5.617 -0.246 1.00 0.00 C ATOM 1237 O ARG B 37 3.135 -4.742 -0.935 1.00 0.00 O ATOM 1238 CB ARG B 37 3.133 -8.013 -0.641 1.00 0.00 C ATOM 1239 CG ARG B 37 2.830 -9.339 -1.339 1.00 0.00 C ATOM 1240 CD ARG B 37 3.781 -10.440 -0.854 1.00 0.00 C ATOM 1241 NE ARG B 37 3.432 -11.735 -1.452 1.00 0.00 N ATOM 1242 CZ ARG B 37 4.212 -12.818 -1.534 1.00 0.00 C ATOM 1243 NH1 ARG B 37 5.427 -12.846 -0.994 1.00 0.00 N ATOM 1244 NH2 ARG B 37 3.765 -13.889 -2.167 1.00 0.00 N ATOM 0 H ARG B 37 2.708 -6.431 -2.825 1.00 0.00 H new ATOM 0 HA ARG B 37 1.158 -7.227 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG B 37 4.109 -7.659 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG B 37 3.208 -8.193 0.431 1.00 0.00 H new ATOM 0 HG2 ARG B 37 1.798 -9.631 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.927 -9.218 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG B 37 4.807 -10.180 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG B 37 3.736 -10.513 0.233 1.00 0.00 H new ATOM 0 HE ARG B 37 2.495 -11.817 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG B 37 5.785 -12.028 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG B 37 6.000 -13.686 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG B 37 2.835 -13.883 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG B 37 4.350 -14.722 -2.237 1.00 0.00 H new ATOM 1258 N ALA B 38 2.445 -5.522 1.070 1.00 0.00 N ATOM 1259 CA ALA B 38 2.869 -4.384 1.867 1.00 0.00 C ATOM 1260 C ALA B 38 3.951 -4.855 2.852 1.00 0.00 C ATOM 1261 O ALA B 38 3.891 -5.998 3.318 1.00 0.00 O ATOM 1262 CB ALA B 38 1.633 -3.830 2.600 1.00 0.00 C ATOM 0 H ALA B 38 2.011 -6.259 1.626 1.00 0.00 H new ATOM 0 HA ALA B 38 3.293 -3.591 1.250 1.00 0.00 H new ATOM 0 HB1 ALA B 38 1.924 -2.973 3.207 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.885 -3.520 1.870 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.214 -4.604 3.243 1.00 0.00 H new ATOM 1268 N GLN B 39 4.918 -3.996 3.194 1.00 0.00 N ATOM 1269 CA GLN B 39 6.001 -4.270 4.147 1.00 0.00 C ATOM 1270 C GLN B 39 6.451 -2.942 4.779 1.00 0.00 C ATOM 1271 O GLN B 39 6.144 -1.874 4.249 1.00 0.00 O ATOM 1272 CB GLN B 39 7.157 -5.091 3.548 1.00 0.00 C ATOM 1273 CG GLN B 39 7.960 -4.456 2.411 1.00 0.00 C ATOM 1274 CD GLN B 39 9.139 -5.351 2.008 1.00 0.00 C ATOM 1275 OE1 GLN B 39 9.310 -6.484 2.458 1.00 0.00 O ATOM 1276 NE2 GLN B 39 10.061 -4.849 1.218 1.00 0.00 N ATOM 0 H GLN B 39 4.970 -3.056 2.801 1.00 0.00 H new ATOM 0 HA GLN B 39 5.617 -4.919 4.934 1.00 0.00 H new ATOM 0 HB2 GLN B 39 7.850 -5.334 4.354 1.00 0.00 H new ATOM 0 HB3 GLN B 39 6.747 -6.033 3.185 1.00 0.00 H new ATOM 0 HG2 GLN B 39 7.312 -4.292 1.550 1.00 0.00 H new ATOM 0 HG3 GLN B 39 8.330 -3.479 2.723 1.00 0.00 H new ATOM 0 HE21 GLN B 39 9.946 -3.913 0.831 1.00 0.00 H new ATOM 0 HE22 GLN B 39 10.892 -5.396 0.992 1.00 0.00 H new ATOM 1285 N TYR B 40 7.161 -2.992 5.909 1.00 0.00 N ATOM 1286 CA TYR B 40 7.641 -1.806 6.635 1.00 0.00 C ATOM 1287 C TYR B 40 9.140 -1.537 6.423 1.00 0.00 C ATOM 1288 O TYR B 40 9.668 -0.543 6.922 1.00 0.00 O ATOM 1289 CB TYR B 40 7.336 -1.974 8.137 1.00 0.00 C ATOM 1290 CG TYR B 40 5.876 -2.242 8.475 1.00 0.00 C ATOM 1291 CD1 TYR B 40 4.925 -1.214 8.360 1.00 0.00 C ATOM 1292 CD2 TYR B 40 5.462 -3.521 8.893 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.567 -1.463 8.633 1.00 0.00 C ATOM 1294 CE2 TYR B 40 4.108 -3.779 9.184 1.00 0.00 C ATOM 1295 CZ TYR B 40 3.157 -2.745 9.066 1.00 0.00 C ATOM 1296 OH TYR B 40 1.848 -3.095 9.152 1.00 0.00 O ATOM 0 H TYR B 40 7.425 -3.871 6.355 1.00 0.00 H new ATOM 0 HA TYR B 40 7.114 -0.940 6.234 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.939 -2.795 8.524 1.00 0.00 H new ATOM 0 HB3 TYR B 40 7.654 -1.072 8.659 1.00 0.00 H new ATOM 0 HD1 TYR B 40 5.239 -0.225 8.060 1.00 0.00 H new ATOM 0 HD2 TYR B 40 6.190 -4.313 8.992 1.00 0.00 H new ATOM 0 HE1 TYR B 40 2.838 -0.675 8.512 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.800 -4.766 9.496 1.00 0.00 H new ATOM 0 HH TYR B 40 1.777 -4.020 9.469 1.00 0.00 H new ATOM 1306 N ARG B 41 9.849 -2.421 5.714 1.00 0.00 N ATOM 1307 CA ARG B 41 11.279 -2.300 5.447 1.00 0.00 C ATOM 1308 C ARG B 41 11.518 -1.627 4.104 1.00 0.00 C ATOM 1309 O ARG B 41 10.592 -1.564 3.295 1.00 0.00 O ATOM 1310 CB ARG B 41 11.904 -3.699 5.495 1.00 0.00 C ATOM 1311 CG ARG B 41 11.368 -4.641 4.408 1.00 0.00 C ATOM 1312 CD ARG B 41 12.525 -5.306 3.667 1.00 0.00 C ATOM 1313 NE ARG B 41 13.033 -6.469 4.399 1.00 0.00 N ATOM 1314 CZ ARG B 41 12.552 -7.711 4.320 1.00 0.00 C ATOM 1315 NH1 ARG B 41 11.411 -7.979 3.690 1.00 0.00 N ATOM 1316 NH2 ARG B 41 13.229 -8.704 4.871 1.00 0.00 N ATOM 0 H ARG B 41 9.433 -3.257 5.303 1.00 0.00 H new ATOM 0 HA ARG B 41 11.749 -1.673 6.205 1.00 0.00 H new ATOM 0 HB2 ARG B 41 12.985 -3.610 5.388 1.00 0.00 H new ATOM 0 HB3 ARG B 41 11.715 -4.140 6.474 1.00 0.00 H new ATOM 0 HG2 ARG B 41 10.730 -5.402 4.858 1.00 0.00 H new ATOM 0 HG3 ARG B 41 10.750 -4.082 3.705 1.00 0.00 H new ATOM 0 HD2 ARG B 41 12.194 -5.615 2.675 1.00 0.00 H new ATOM 0 HD3 ARG B 41 13.330 -4.585 3.524 1.00 0.00 H new ATOM 0 HE ARG B 41 13.824 -6.316 5.024 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.881 -7.225 3.252 1.00 0.00 H new ATOM 0 HH12 ARG B 41 11.066 -8.938 3.645 1.00 0.00 H new ATOM 0 HH21 ARG B 41 14.110 -8.517 5.350 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.871 -9.657 4.817 1.00 0.00 H new ATOM 1330 N HIS B 42 12.722 -1.129 3.836 1.00 0.00 N ATOM 1331 CA HIS B 42 13.008 -0.511 2.541 1.00 0.00 C ATOM 1332 C HIS B 42 13.258 -1.673 1.561 1.00 0.00 C ATOM 1333 O HIS B 42 13.824 -2.682 1.997 1.00 0.00 O ATOM 1334 CB HIS B 42 14.207 0.441 2.663 1.00 0.00 C ATOM 1335 CG HIS B 42 14.235 1.486 1.578 1.00 0.00 C ATOM 1336 ND1 HIS B 42 14.980 1.425 0.400 1.00 0.00 N ATOM 1337 CD2 HIS B 42 13.519 2.646 1.587 1.00 0.00 C ATOM 1338 CE1 HIS B 42 14.682 2.540 -0.291 1.00 0.00 C ATOM 1339 NE2 HIS B 42 13.819 3.295 0.410 1.00 0.00 N ATOM 0 H HIS B 42 13.507 -1.139 4.487 1.00 0.00 H new ATOM 0 HA HIS B 42 12.184 0.103 2.179 1.00 0.00 H new ATOM 0 HB2 HIS B 42 14.177 0.934 3.635 1.00 0.00 H new ATOM 0 HB3 HIS B 42 15.130 -0.138 2.628 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.850 2.988 2.363 1.00 0.00 H new ATOM 0 HE1 HIS B 42 15.077 2.791 -1.264 1.00 0.00 H new ATOM 0 HE2 HIS B 42 13.448 4.199 0.118 1.00 0.00 H new ATOM 1347 N PRO B 43 12.848 -1.607 0.280 1.00 0.00 N ATOM 1348 CA PRO B 43 13.055 -2.716 -0.649 1.00 0.00 C ATOM 1349 C PRO B 43 14.533 -2.958 -0.985 1.00 0.00 C ATOM 1350 O PRO B 43 15.402 -2.136 -0.680 1.00 0.00 O ATOM 1351 CB PRO B 43 12.196 -2.393 -1.873 1.00 0.00 C ATOM 1352 CG PRO B 43 12.088 -0.877 -1.863 1.00 0.00 C ATOM 1353 CD PRO B 43 12.177 -0.498 -0.385 1.00 0.00 C ATOM 0 HA PRO B 43 12.752 -3.663 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.660 -2.753 -2.791 1.00 0.00 H new ATOM 0 HB3 PRO B 43 11.215 -2.863 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO B 43 12.891 -0.418 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.148 -0.543 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO B 43 12.735 0.429 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO B 43 11.185 -0.335 0.035 1.00 0.00 H new ATOM 1361 N SER B 44 14.797 -4.096 -1.634 1.00 0.00 N ATOM 1362 CA SER B 44 16.125 -4.536 -2.039 1.00 0.00 C ATOM 1363 C SER B 44 16.070 -5.373 -3.331 1.00 0.00 C ATOM 1364 O SER B 44 14.988 -5.659 -3.864 1.00 0.00 O ATOM 1365 CB SER B 44 16.775 -5.273 -0.848 1.00 0.00 C ATOM 1366 OG SER B 44 15.881 -6.100 -0.111 1.00 0.00 O ATOM 0 H SER B 44 14.064 -4.754 -1.898 1.00 0.00 H new ATOM 0 HA SER B 44 16.752 -3.680 -2.290 1.00 0.00 H new ATOM 0 HB2 SER B 44 17.596 -5.887 -1.220 1.00 0.00 H new ATOM 0 HB3 SER B 44 17.209 -4.536 -0.173 1.00 0.00 H new ATOM 0 HG SER B 44 16.365 -6.533 0.623 1.00 0.00 H new ATOM 1372 N GLY B 45 17.236 -5.801 -3.818 1.00 0.00 N ATOM 1373 CA GLY B 45 17.438 -6.595 -5.024 1.00 0.00 C ATOM 1374 C GLY B 45 18.474 -5.944 -5.946 1.00 0.00 C ATOM 1375 O GLY B 45 19.140 -4.981 -5.543 1.00 0.00 O ATOM 0 H GLY B 45 18.117 -5.588 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY B 45 17.768 -7.598 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.492 -6.704 -5.554 1.00 0.00 H new ATOM 1379 N PRO B 46 18.663 -6.495 -7.156 1.00 0.00 N ATOM 1380 CA PRO B 46 19.597 -5.980 -8.152 1.00 0.00 C ATOM 1381 C PRO B 46 18.997 -4.750 -8.854 1.00 0.00 C ATOM 1382 O PRO B 46 17.780 -4.538 -8.809 1.00 0.00 O ATOM 1383 CB PRO B 46 19.767 -7.135 -9.145 1.00 0.00 C ATOM 1384 CG PRO B 46 18.382 -7.782 -9.138 1.00 0.00 C ATOM 1385 CD PRO B 46 17.931 -7.637 -7.689 1.00 0.00 C ATOM 0 HA PRO B 46 20.545 -5.664 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO B 46 20.044 -6.780 -10.137 1.00 0.00 H new ATOM 0 HB3 PRO B 46 20.543 -7.832 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO B 46 17.700 -7.279 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO B 46 18.426 -8.828 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO B 46 16.855 -7.474 -7.629 1.00 0.00 H new ATOM 0 HD3 PRO B 46 18.148 -8.541 -7.120 1.00 0.00 H new ATOM 1393 N SER B 47 19.834 -3.999 -9.573 1.00 0.00 N ATOM 1394 CA SER B 47 19.439 -2.797 -10.308 1.00 0.00 C ATOM 1395 C SER B 47 20.049 -2.719 -11.716 1.00 0.00 C ATOM 1396 O SER B 47 19.661 -1.842 -12.486 1.00 0.00 O ATOM 1397 CB SER B 47 19.852 -1.555 -9.508 1.00 0.00 C ATOM 1398 OG SER B 47 19.390 -1.595 -8.170 1.00 0.00 O ATOM 0 H SER B 47 20.827 -4.215 -9.662 1.00 0.00 H new ATOM 0 HA SER B 47 18.357 -2.842 -10.432 1.00 0.00 H new ATOM 0 HB2 SER B 47 20.939 -1.469 -9.512 1.00 0.00 H new ATOM 0 HB3 SER B 47 19.460 -0.664 -9.998 1.00 0.00 H new ATOM 0 HG SER B 47 19.678 -0.785 -7.700 1.00 0.00 H new ATOM 1404 N SER B 48 20.985 -3.595 -12.079 1.00 0.00 N ATOM 1405 CA SER B 48 21.647 -3.623 -13.379 1.00 0.00 C ATOM 1406 C SER B 48 21.868 -5.076 -13.814 1.00 0.00 C ATOM 1407 O SER B 48 21.418 -6.007 -13.140 1.00 0.00 O ATOM 1408 CB SER B 48 22.967 -2.843 -13.290 1.00 0.00 C ATOM 1409 OG SER B 48 22.741 -1.509 -12.863 1.00 0.00 O ATOM 0 H SER B 48 21.314 -4.330 -11.453 1.00 0.00 H new ATOM 0 HA SER B 48 21.023 -3.145 -14.134 1.00 0.00 H new ATOM 0 HB2 SER B 48 23.642 -3.342 -12.595 1.00 0.00 H new ATOM 0 HB3 SER B 48 23.458 -2.839 -14.263 1.00 0.00 H new ATOM 0 HG SER B 48 23.596 -1.033 -12.812 1.00 0.00 H new ATOM 1415 N GLY B 49 22.534 -5.284 -14.950 1.00 0.00 N ATOM 1416 CA GLY B 49 22.825 -6.592 -15.508 1.00 0.00 C ATOM 1417 C GLY B 49 23.271 -6.364 -16.923 1.00 0.00 C ATOM 1418 O GLY B 49 22.444 -6.523 -17.840 1.00 0.00 O ATOM 0 H GLY B 49 22.894 -4.519 -15.520 1.00 0.00 H new ATOM 0 HA2 GLY B 49 23.603 -7.095 -14.933 1.00 0.00 H new ATOM 0 HA3 GLY B 49 21.943 -7.231 -15.478 1.00 0.00 H new TER 1422 GLY B 49