USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=31 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= -1.02 X(o=-1,f=-0.88) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0.522 USER MOD Set 2.2: B 33 HIS : no HD1:sc= -2.86 K(o=-0.64,f=-6.2!) USER MOD Set 2.3: B 36 LYS NZ :NH3+ -174:sc= 1.7 (180deg=1) USER MOD Set 3.1: A 33 HIS : no HD1:sc= -0.797 K(o=-0.58,f=-6.4) USER MOD Set 3.2: B 29 TYR OH : rot 180:sc= 0.22 USER MOD Set 3.3: B 40 TYR OH : rot 180:sc=-0.00488 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 23 SER OG : rot 161:sc= -0.266 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -27:sc= 0.786 USER MOD Single : A 29 TYR OH : rot -15:sc= -0.0708 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 141:sc= 1.31 (180deg=0.951) USER MOD Single : A 39 GLN : amide:sc= 1.09 K(o=1.1,f=-0.13) USER MOD Single : A 42 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-3.8!) 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 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -107:sc= 0.00352 (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= 0.0805 USER MOD Single : B 23 SER OG : rot -130:sc= 0.198 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 6:sc= 0.601 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : B 39 GLN : amide:sc= 0.965 K(o=0.96,f=-0.093) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 SER OG : rot 180:sc= 0.14 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.849 -14.400 23.850 1.00 0.00 N ATOM 2 CA GLY A 1 -17.992 -14.377 22.927 1.00 0.00 C ATOM 3 C GLY A 1 -17.848 -13.256 21.915 1.00 0.00 C ATOM 4 O GLY A 1 -18.196 -12.109 22.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.970 -15.175 24.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.971 -14.546 23.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.796 -13.495 24.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.065 -15.333 22.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.917 -14.248 23.490 1.00 0.00 H new ATOM 8 N SER A 2 -17.297 -13.564 20.742 1.00 0.00 N ATOM 9 CA SER A 2 -17.086 -12.618 19.654 1.00 0.00 C ATOM 10 C SER A 2 -18.392 -12.369 18.894 1.00 0.00 C ATOM 11 O SER A 2 -19.399 -13.050 19.127 1.00 0.00 O ATOM 12 CB SER A 2 -16.001 -13.181 18.736 1.00 0.00 C ATOM 13 OG SER A 2 -14.794 -13.293 19.471 1.00 0.00 O ATOM 0 H SER A 2 -16.977 -14.506 20.519 1.00 0.00 H new ATOM 0 HA SER A 2 -16.762 -11.655 20.048 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.301 -14.156 18.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.859 -12.528 17.875 1.00 0.00 H new ATOM 0 HG SER A 2 -14.091 -13.655 18.892 1.00 0.00 H new ATOM 19 N SER A 3 -18.386 -11.394 17.985 1.00 0.00 N ATOM 20 CA SER A 3 -19.543 -11.026 17.185 1.00 0.00 C ATOM 21 C SER A 3 -19.078 -10.411 15.860 1.00 0.00 C ATOM 22 O SER A 3 -17.907 -10.549 15.474 1.00 0.00 O ATOM 23 CB SER A 3 -20.417 -10.058 18.001 1.00 0.00 C ATOM 24 OG SER A 3 -21.770 -10.226 17.634 1.00 0.00 O ATOM 0 H SER A 3 -17.560 -10.831 17.784 1.00 0.00 H new ATOM 0 HA SER A 3 -20.142 -11.903 16.941 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.292 -10.248 19.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.105 -9.029 17.821 1.00 0.00 H new ATOM 0 HG SER A 3 -22.329 -9.611 18.154 1.00 0.00 H new ATOM 30 N GLY A 4 -20.001 -9.789 15.125 1.00 0.00 N ATOM 31 CA GLY A 4 -19.694 -9.151 13.859 1.00 0.00 C ATOM 32 C GLY A 4 -20.931 -8.934 13.017 1.00 0.00 C ATOM 33 O GLY A 4 -21.221 -9.759 12.146 1.00 0.00 O ATOM 0 H GLY A 4 -20.981 -9.717 15.397 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.210 -8.192 14.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.983 -9.766 13.307 1.00 0.00 H new ATOM 37 N SER A 5 -21.663 -7.862 13.295 1.00 0.00 N ATOM 38 CA SER A 5 -22.863 -7.498 12.563 1.00 0.00 C ATOM 39 C SER A 5 -22.406 -6.500 11.500 1.00 0.00 C ATOM 40 O SER A 5 -22.266 -5.302 11.757 1.00 0.00 O ATOM 41 CB SER A 5 -23.919 -6.975 13.541 1.00 0.00 C ATOM 42 OG SER A 5 -24.234 -8.014 14.461 1.00 0.00 O ATOM 0 H SER A 5 -21.433 -7.213 14.048 1.00 0.00 H new ATOM 0 HA SER A 5 -23.352 -8.333 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.544 -6.100 14.071 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.813 -6.662 13.002 1.00 0.00 H new ATOM 0 HG SER A 5 -24.908 -7.695 15.096 1.00 0.00 H new ATOM 48 N SER A 6 -22.025 -7.025 10.336 1.00 0.00 N ATOM 49 CA SER A 6 -21.551 -6.253 9.199 1.00 0.00 C ATOM 50 C SER A 6 -22.701 -5.453 8.575 1.00 0.00 C ATOM 51 O SER A 6 -23.875 -5.634 8.925 1.00 0.00 O ATOM 52 CB SER A 6 -20.875 -7.216 8.210 1.00 0.00 C ATOM 53 OG SER A 6 -21.633 -8.395 8.001 1.00 0.00 O ATOM 0 H SER A 6 -22.040 -8.029 10.158 1.00 0.00 H new ATOM 0 HA SER A 6 -20.812 -5.515 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.727 -6.709 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.887 -7.484 8.585 1.00 0.00 H new ATOM 0 HG SER A 6 -21.166 -8.976 7.365 1.00 0.00 H new ATOM 59 N GLY A 7 -22.381 -4.562 7.639 1.00 0.00 N ATOM 60 CA GLY A 7 -23.337 -3.716 6.946 1.00 0.00 C ATOM 61 C GLY A 7 -23.259 -3.900 5.430 1.00 0.00 C ATOM 62 O GLY A 7 -22.278 -4.454 4.924 1.00 0.00 O ATOM 0 H GLY A 7 -21.419 -4.408 7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.345 -3.949 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.148 -2.672 7.196 1.00 0.00 H new ATOM 66 N PRO A 8 -24.272 -3.428 4.685 1.00 0.00 N ATOM 67 CA PRO A 8 -24.309 -3.531 3.239 1.00 0.00 C ATOM 68 C PRO A 8 -23.294 -2.554 2.652 1.00 0.00 C ATOM 69 O PRO A 8 -22.339 -2.972 2.008 1.00 0.00 O ATOM 70 CB PRO A 8 -25.747 -3.213 2.823 1.00 0.00 C ATOM 71 CG PRO A 8 -26.294 -2.361 3.972 1.00 0.00 C ATOM 72 CD PRO A 8 -25.464 -2.770 5.185 1.00 0.00 C ATOM 0 HA PRO A 8 -24.041 -4.522 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -25.777 -2.672 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -26.333 -4.122 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -26.189 -1.297 3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -27.355 -2.551 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.200 -1.898 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -26.031 -3.440 5.831 1.00 0.00 H new ATOM 80 N LEU A 9 -23.473 -1.254 2.884 1.00 0.00 N ATOM 81 CA LEU A 9 -22.614 -0.181 2.411 1.00 0.00 C ATOM 82 C LEU A 9 -22.485 0.855 3.519 1.00 0.00 C ATOM 83 O LEU A 9 -23.294 0.885 4.453 1.00 0.00 O ATOM 84 CB LEU A 9 -23.230 0.469 1.158 1.00 0.00 C ATOM 85 CG LEU A 9 -23.309 -0.447 -0.075 1.00 0.00 C ATOM 86 CD1 LEU A 9 -24.126 0.236 -1.177 1.00 0.00 C ATOM 87 CD2 LEU A 9 -21.907 -0.770 -0.602 1.00 0.00 C ATOM 0 H LEU A 9 -24.260 -0.909 3.434 1.00 0.00 H new ATOM 0 HA LEU A 9 -21.632 -0.576 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -24.235 0.813 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -22.645 1.352 0.900 1.00 0.00 H new ATOM 0 HG LEU A 9 -23.795 -1.378 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.179 -0.417 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -25.133 0.436 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -23.648 1.175 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -21.987 -1.419 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -21.402 0.154 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -21.334 -1.275 0.175 1.00 0.00 H new ATOM 99 N GLU A 10 -21.487 1.723 3.395 1.00 0.00 N ATOM 100 CA GLU A 10 -21.177 2.803 4.325 1.00 0.00 C ATOM 101 C GLU A 10 -21.101 4.119 3.543 1.00 0.00 C ATOM 102 O GLU A 10 -21.175 4.115 2.309 1.00 0.00 O ATOM 103 CB GLU A 10 -19.873 2.475 5.071 1.00 0.00 C ATOM 104 CG GLU A 10 -20.029 1.193 5.911 1.00 0.00 C ATOM 105 CD GLU A 10 -18.787 0.785 6.703 1.00 0.00 C ATOM 106 OE1 GLU A 10 -17.666 0.795 6.148 1.00 0.00 O ATOM 107 OE2 GLU A 10 -18.943 0.388 7.879 1.00 0.00 O ATOM 0 H GLU A 10 -20.842 1.691 2.606 1.00 0.00 H new ATOM 0 HA GLU A 10 -21.957 2.911 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.061 2.349 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.600 3.308 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.856 1.331 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.304 0.373 5.248 1.00 0.00 H new ATOM 114 N ARG A 11 -20.974 5.256 4.234 1.00 0.00 N ATOM 115 CA ARG A 11 -20.899 6.593 3.625 1.00 0.00 C ATOM 116 C ARG A 11 -19.751 7.382 4.249 1.00 0.00 C ATOM 117 O ARG A 11 -19.891 8.562 4.589 1.00 0.00 O ATOM 118 CB ARG A 11 -22.245 7.318 3.791 1.00 0.00 C ATOM 119 CG ARG A 11 -23.431 6.565 3.181 1.00 0.00 C ATOM 120 CD ARG A 11 -24.670 7.459 3.161 1.00 0.00 C ATOM 121 NE ARG A 11 -25.914 6.682 3.079 1.00 0.00 N ATOM 122 CZ ARG A 11 -26.622 6.232 4.119 1.00 0.00 C ATOM 123 NH1 ARG A 11 -26.231 6.457 5.368 1.00 0.00 N ATOM 124 NH2 ARG A 11 -27.726 5.546 3.882 1.00 0.00 N ATOM 0 H ARG A 11 -20.919 5.276 5.252 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.699 6.502 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -22.434 7.476 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -22.176 8.303 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -23.187 6.247 2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -23.634 5.663 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -24.687 8.074 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -24.612 8.139 2.311 1.00 0.00 H new ATOM 0 HE ARG A 11 -26.268 6.467 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -25.375 6.982 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -26.786 6.105 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -28.021 5.370 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -28.283 5.192 4.660 1.00 0.00 H new ATOM 138 N GLU A 12 -18.637 6.700 4.486 1.00 0.00 N ATOM 139 CA GLU A 12 -17.428 7.248 5.086 1.00 0.00 C ATOM 140 C GLU A 12 -16.271 6.954 4.128 1.00 0.00 C ATOM 141 O GLU A 12 -16.511 6.468 3.018 1.00 0.00 O ATOM 142 CB GLU A 12 -17.266 6.711 6.523 1.00 0.00 C ATOM 143 CG GLU A 12 -18.589 6.869 7.299 1.00 0.00 C ATOM 144 CD GLU A 12 -18.519 6.680 8.811 1.00 0.00 C ATOM 145 OE1 GLU A 12 -17.702 5.883 9.318 1.00 0.00 O ATOM 146 OE2 GLU A 12 -19.380 7.271 9.507 1.00 0.00 O ATOM 0 H GLU A 12 -18.548 5.710 4.256 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.465 8.330 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.974 5.661 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.469 7.251 7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.986 7.864 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.307 6.153 6.899 1.00 0.00 H new ATOM 153 N GLY A 13 -15.034 7.299 4.478 1.00 0.00 N ATOM 154 CA GLY A 13 -13.892 7.066 3.606 1.00 0.00 C ATOM 155 C GLY A 13 -13.574 5.584 3.457 1.00 0.00 C ATOM 156 O GLY A 13 -13.878 4.979 2.421 1.00 0.00 O ATOM 0 H GLY A 13 -14.799 7.743 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.094 7.493 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.020 7.584 4.006 1.00 0.00 H new ATOM 160 N LEU A 14 -12.922 5.025 4.474 1.00 0.00 N ATOM 161 CA LEU A 14 -12.498 3.631 4.549 1.00 0.00 C ATOM 162 C LEU A 14 -12.611 3.142 5.989 1.00 0.00 C ATOM 163 O LEU A 14 -12.574 3.968 6.909 1.00 0.00 O ATOM 164 CB LEU A 14 -11.011 3.537 4.157 1.00 0.00 C ATOM 165 CG LEU A 14 -10.739 3.644 2.654 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.246 3.846 2.433 1.00 0.00 C ATOM 167 CD2 LEU A 14 -11.161 2.372 1.916 1.00 0.00 C ATOM 0 H LEU A 14 -12.664 5.557 5.305 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.123 3.034 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.463 4.328 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.613 2.589 4.518 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.315 4.484 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.043 3.923 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.925 4.761 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.699 2.998 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.954 2.483 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.603 1.522 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.228 2.204 2.062 1.00 0.00 H new ATOM 179 N PRO A 15 -12.672 1.821 6.221 1.00 0.00 N ATOM 180 CA PRO A 15 -12.750 1.291 7.574 1.00 0.00 C ATOM 181 C PRO A 15 -11.440 1.571 8.339 1.00 0.00 C ATOM 182 O PRO A 15 -10.403 1.804 7.705 1.00 0.00 O ATOM 183 CB PRO A 15 -13.049 -0.200 7.416 1.00 0.00 C ATOM 184 CG PRO A 15 -12.584 -0.539 6.007 1.00 0.00 C ATOM 185 CD PRO A 15 -12.729 0.759 5.226 1.00 0.00 C ATOM 0 HA PRO A 15 -13.531 1.766 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.518 -0.792 8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.112 -0.407 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.552 -0.889 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.190 -1.333 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.931 0.866 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.671 0.784 4.679 1.00 0.00 H new ATOM 193 N PRO A 16 -11.459 1.557 9.686 1.00 0.00 N ATOM 194 CA PRO A 16 -10.285 1.799 10.508 1.00 0.00 C ATOM 195 C PRO A 16 -9.354 0.597 10.349 1.00 0.00 C ATOM 196 O PRO A 16 -9.503 -0.429 11.021 1.00 0.00 O ATOM 197 CB PRO A 16 -10.809 2.009 11.930 1.00 0.00 C ATOM 198 CG PRO A 16 -12.096 1.189 11.959 1.00 0.00 C ATOM 199 CD PRO A 16 -12.616 1.288 10.525 1.00 0.00 C ATOM 0 HA PRO A 16 -9.702 2.677 10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.095 1.662 12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.999 3.062 12.136 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.906 0.155 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.813 1.592 12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.106 0.362 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.355 2.084 10.434 1.00 0.00 H new ATOM 207 N GLY A 17 -8.391 0.723 9.442 1.00 0.00 N ATOM 208 CA GLY A 17 -7.424 -0.311 9.126 1.00 0.00 C ATOM 209 C GLY A 17 -7.128 -0.413 7.635 1.00 0.00 C ATOM 210 O GLY A 17 -6.303 -1.238 7.240 1.00 0.00 O ATOM 0 H GLY A 17 -8.262 1.573 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.497 -0.110 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.797 -1.271 9.483 1.00 0.00 H new ATOM 214 N TRP A 18 -7.793 0.395 6.811 1.00 0.00 N ATOM 215 CA TRP A 18 -7.593 0.434 5.378 1.00 0.00 C ATOM 216 C TRP A 18 -7.108 1.827 5.021 1.00 0.00 C ATOM 217 O TRP A 18 -7.459 2.800 5.690 1.00 0.00 O ATOM 218 CB TRP A 18 -8.891 0.089 4.665 1.00 0.00 C ATOM 219 CG TRP A 18 -9.074 -1.374 4.463 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.537 -2.257 5.373 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.749 -2.144 3.274 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.571 -3.515 4.807 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.082 -3.507 3.513 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.230 -1.805 2.006 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.904 -4.486 2.522 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -8.056 -2.774 1.002 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.399 -4.114 1.261 1.00 0.00 C ATOM 0 H TRP A 18 -8.501 1.053 7.137 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.851 -0.299 5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.730 0.478 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.911 0.589 3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.834 -2.017 6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.915 -4.348 5.284 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.961 -0.779 1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.153 -5.517 2.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.661 -2.491 0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.275 -4.860 0.490 1.00 0.00 H new ATOM 238 N GLU A 19 -6.335 1.918 3.942 1.00 0.00 N ATOM 239 CA GLU A 19 -5.776 3.174 3.464 1.00 0.00 C ATOM 240 C GLU A 19 -5.900 3.255 1.941 1.00 0.00 C ATOM 241 O GLU A 19 -5.954 2.221 1.264 1.00 0.00 O ATOM 242 CB GLU A 19 -4.311 3.240 3.933 1.00 0.00 C ATOM 243 CG GLU A 19 -3.558 4.515 3.517 1.00 0.00 C ATOM 244 CD GLU A 19 -4.228 5.755 4.103 1.00 0.00 C ATOM 245 OE1 GLU A 19 -5.227 6.210 3.493 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.805 6.227 5.178 1.00 0.00 O ATOM 0 H GLU A 19 -6.078 1.113 3.371 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.318 4.029 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.288 3.160 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.778 2.375 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.524 4.460 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.532 4.589 2.430 1.00 0.00 H new ATOM 253 N ARG A 20 -5.957 4.478 1.407 1.00 0.00 N ATOM 254 CA ARG A 20 -6.058 4.794 -0.010 1.00 0.00 C ATOM 255 C ARG A 20 -4.781 5.501 -0.419 1.00 0.00 C ATOM 256 O ARG A 20 -4.376 6.491 0.194 1.00 0.00 O ATOM 257 CB ARG A 20 -7.259 5.711 -0.291 1.00 0.00 C ATOM 258 CG ARG A 20 -7.353 6.121 -1.772 1.00 0.00 C ATOM 259 CD ARG A 20 -8.600 6.967 -2.043 1.00 0.00 C ATOM 260 NE ARG A 20 -8.518 8.292 -1.409 1.00 0.00 N ATOM 261 CZ ARG A 20 -9.525 9.151 -1.222 1.00 0.00 C ATOM 262 NH1 ARG A 20 -10.747 8.850 -1.650 1.00 0.00 N ATOM 263 NH2 ARG A 20 -9.306 10.310 -0.611 1.00 0.00 N ATOM 0 H ARG A 20 -5.932 5.316 1.988 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.200 3.874 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.177 5.201 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.181 6.606 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.463 6.684 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.375 5.228 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.729 7.088 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.481 6.442 -1.673 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.599 8.585 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.918 7.962 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.514 9.507 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.369 10.545 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.075 10.965 -0.469 1.00 0.00 H new ATOM 277 N VAL A 21 -4.160 4.988 -1.470 1.00 0.00 N ATOM 278 CA VAL A 21 -2.943 5.560 -2.015 1.00 0.00 C ATOM 279 C VAL A 21 -3.250 6.114 -3.397 1.00 0.00 C ATOM 280 O VAL A 21 -3.722 5.369 -4.261 1.00 0.00 O ATOM 281 CB VAL A 21 -1.834 4.502 -2.136 1.00 0.00 C ATOM 282 CG1 VAL A 21 -0.535 5.159 -2.620 1.00 0.00 C ATOM 283 CG2 VAL A 21 -1.601 3.787 -0.808 1.00 0.00 C ATOM 0 H VAL A 21 -4.488 4.161 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.593 6.346 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.154 3.757 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.246 4.403 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.701 5.618 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.226 5.923 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.811 3.046 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.305 4.513 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.520 3.291 -0.496 1.00 0.00 H new ATOM 293 N GLU A 22 -3.093 7.421 -3.575 1.00 0.00 N ATOM 294 CA GLU A 22 -3.277 8.050 -4.870 1.00 0.00 C ATOM 295 C GLU A 22 -1.898 7.947 -5.535 1.00 0.00 C ATOM 296 O GLU A 22 -0.870 7.850 -4.857 1.00 0.00 O ATOM 297 CB GLU A 22 -3.777 9.493 -4.754 1.00 0.00 C ATOM 298 CG GLU A 22 -2.814 10.471 -4.065 1.00 0.00 C ATOM 299 CD GLU A 22 -3.154 11.909 -4.462 1.00 0.00 C ATOM 300 OE1 GLU A 22 -4.058 12.529 -3.854 1.00 0.00 O ATOM 301 OE2 GLU A 22 -2.532 12.445 -5.407 1.00 0.00 O ATOM 0 H GLU A 22 -2.836 8.067 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.051 7.561 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.992 9.866 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.719 9.490 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.881 10.358 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.786 10.241 -4.346 1.00 0.00 H new ATOM 308 N SER A 23 -1.840 7.913 -6.859 1.00 0.00 N ATOM 309 CA SER A 23 -0.580 7.808 -7.578 1.00 0.00 C ATOM 310 C SER A 23 -0.660 8.470 -8.956 1.00 0.00 C ATOM 311 O SER A 23 -1.730 8.936 -9.371 1.00 0.00 O ATOM 312 CB SER A 23 -0.202 6.328 -7.695 1.00 0.00 C ATOM 313 OG SER A 23 -0.517 5.574 -6.537 1.00 0.00 O ATOM 0 H SER A 23 -2.662 7.957 -7.462 1.00 0.00 H new ATOM 0 HA SER A 23 0.193 8.339 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.717 5.896 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.867 6.248 -7.892 1.00 0.00 H new ATOM 0 HG SER A 23 -0.544 4.621 -6.764 1.00 0.00 H new ATOM 319 N SER A 24 0.459 8.482 -9.687 1.00 0.00 N ATOM 320 CA SER A 24 0.557 9.070 -11.022 1.00 0.00 C ATOM 321 C SER A 24 0.821 8.053 -12.121 1.00 0.00 C ATOM 322 O SER A 24 0.550 8.354 -13.281 1.00 0.00 O ATOM 323 CB SER A 24 1.667 10.108 -11.040 1.00 0.00 C ATOM 324 OG SER A 24 1.411 11.144 -10.096 1.00 0.00 O ATOM 0 H SER A 24 1.336 8.076 -9.360 1.00 0.00 H new ATOM 0 HA SER A 24 -0.414 9.520 -11.229 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.620 9.631 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.755 10.535 -12.039 1.00 0.00 H new ATOM 0 HG SER A 24 2.139 11.799 -10.124 1.00 0.00 H new ATOM 330 N GLU A 25 1.291 6.864 -11.762 1.00 0.00 N ATOM 331 CA GLU A 25 1.577 5.796 -12.699 1.00 0.00 C ATOM 332 C GLU A 25 0.617 4.618 -12.466 1.00 0.00 C ATOM 333 O GLU A 25 0.544 3.694 -13.279 1.00 0.00 O ATOM 334 CB GLU A 25 3.038 5.361 -12.501 1.00 0.00 C ATOM 335 CG GLU A 25 3.708 4.941 -13.810 1.00 0.00 C ATOM 336 CD GLU A 25 3.912 6.128 -14.754 1.00 0.00 C ATOM 337 OE1 GLU A 25 4.624 7.081 -14.375 1.00 0.00 O ATOM 338 OE2 GLU A 25 3.381 6.083 -15.891 1.00 0.00 O ATOM 0 H GLU A 25 1.486 6.615 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 25 1.435 6.141 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.601 6.182 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.074 4.531 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.672 4.480 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.097 4.185 -14.304 1.00 0.00 H new ATOM 345 N PHE A 26 -0.129 4.654 -11.354 1.00 0.00 N ATOM 346 CA PHE A 26 -1.087 3.641 -10.918 1.00 0.00 C ATOM 347 C PHE A 26 -2.494 4.217 -10.696 1.00 0.00 C ATOM 348 O PHE A 26 -3.451 3.473 -10.457 1.00 0.00 O ATOM 349 CB PHE A 26 -0.594 3.041 -9.595 1.00 0.00 C ATOM 350 CG PHE A 26 0.909 2.845 -9.493 1.00 0.00 C ATOM 351 CD1 PHE A 26 1.570 2.039 -10.434 1.00 0.00 C ATOM 352 CD2 PHE A 26 1.642 3.447 -8.451 1.00 0.00 C ATOM 353 CE1 PHE A 26 2.953 1.831 -10.321 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.031 3.260 -8.355 1.00 0.00 C ATOM 355 CZ PHE A 26 3.691 2.449 -9.293 1.00 0.00 C ATOM 0 H PHE A 26 -0.074 5.436 -10.701 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.155 2.889 -11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.916 3.688 -8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.081 2.077 -9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.017 1.581 -11.241 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.132 4.057 -7.720 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.457 1.190 -11.030 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.589 3.738 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.759 2.300 -9.226 1.00 0.00 H new ATOM 365 N GLY A 27 -2.610 5.543 -10.671 1.00 0.00 N ATOM 366 CA GLY A 27 -3.839 6.291 -10.474 1.00 0.00 C ATOM 367 C GLY A 27 -4.263 6.237 -9.011 1.00 0.00 C ATOM 368 O GLY A 27 -4.106 7.222 -8.293 1.00 0.00 O ATOM 0 H GLY A 27 -1.802 6.153 -10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.695 7.327 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.628 5.880 -11.104 1.00 0.00 H new ATOM 372 N THR A 28 -4.840 5.134 -8.532 1.00 0.00 N ATOM 373 CA THR A 28 -5.253 5.000 -7.135 1.00 0.00 C ATOM 374 C THR A 28 -5.440 3.527 -6.775 1.00 0.00 C ATOM 375 O THR A 28 -5.988 2.759 -7.575 1.00 0.00 O ATOM 376 CB THR A 28 -6.590 5.735 -6.872 1.00 0.00 C ATOM 377 OG1 THR A 28 -6.604 7.038 -7.420 1.00 0.00 O ATOM 378 CG2 THR A 28 -6.890 5.871 -5.375 1.00 0.00 C ATOM 0 H THR A 28 -5.034 4.310 -9.101 1.00 0.00 H new ATOM 0 HA THR A 28 -4.468 5.444 -6.522 1.00 0.00 H new ATOM 0 HB THR A 28 -7.348 5.118 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.688 7.384 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.837 6.393 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.954 4.880 -4.925 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.092 6.437 -4.894 1.00 0.00 H new ATOM 386 N TYR A 29 -4.994 3.111 -5.593 1.00 0.00 N ATOM 387 CA TYR A 29 -5.161 1.744 -5.100 1.00 0.00 C ATOM 388 C TYR A 29 -5.419 1.791 -3.590 1.00 0.00 C ATOM 389 O TYR A 29 -5.308 2.850 -2.973 1.00 0.00 O ATOM 390 CB TYR A 29 -3.989 0.844 -5.507 1.00 0.00 C ATOM 391 CG TYR A 29 -2.651 1.234 -4.931 1.00 0.00 C ATOM 392 CD1 TYR A 29 -2.260 0.728 -3.679 1.00 0.00 C ATOM 393 CD2 TYR A 29 -1.802 2.099 -5.646 1.00 0.00 C ATOM 394 CE1 TYR A 29 -1.008 1.071 -3.151 1.00 0.00 C ATOM 395 CE2 TYR A 29 -0.543 2.429 -5.124 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.133 1.903 -3.881 1.00 0.00 C ATOM 397 OH TYR A 29 1.105 2.183 -3.408 1.00 0.00 O ATOM 0 H TYR A 29 -4.500 3.720 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.030 1.282 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.214 -0.178 -5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.912 0.843 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.922 0.078 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.119 2.508 -6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.712 0.697 -2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.114 3.087 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 29 1.155 1.941 -2.460 1.00 0.00 H new ATOM 407 N TYR A 30 -5.764 0.654 -2.985 1.00 0.00 N ATOM 408 CA TYR A 30 -6.059 0.547 -1.559 1.00 0.00 C ATOM 409 C TYR A 30 -5.176 -0.520 -0.932 1.00 0.00 C ATOM 410 O TYR A 30 -4.798 -1.466 -1.628 1.00 0.00 O ATOM 411 CB TYR A 30 -7.539 0.176 -1.374 1.00 0.00 C ATOM 412 CG TYR A 30 -8.502 1.183 -1.966 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.933 2.270 -1.188 1.00 0.00 C ATOM 414 CD2 TYR A 30 -8.913 1.065 -3.306 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.752 3.263 -1.755 1.00 0.00 C ATOM 416 CE2 TYR A 30 -9.712 2.065 -3.889 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.119 3.179 -3.117 1.00 0.00 C ATOM 418 OH TYR A 30 -10.838 4.186 -3.681 1.00 0.00 O ATOM 0 H TYR A 30 -5.847 -0.233 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.861 1.502 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.719 -0.797 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.747 0.071 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.635 2.344 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.615 0.205 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.100 4.088 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.014 1.983 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.009 3.978 -4.623 1.00 0.00 H new ATOM 428 N VAL A 31 -4.894 -0.395 0.367 1.00 0.00 N ATOM 429 CA VAL A 31 -4.067 -1.350 1.123 1.00 0.00 C ATOM 430 C VAL A 31 -4.784 -1.799 2.404 1.00 0.00 C ATOM 431 O VAL A 31 -5.430 -0.996 3.081 1.00 0.00 O ATOM 432 CB VAL A 31 -2.675 -0.757 1.427 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.695 -1.717 2.124 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.972 -0.286 0.144 1.00 0.00 C ATOM 0 H VAL A 31 -5.236 0.381 0.934 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.916 -2.235 0.504 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.900 0.066 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.746 -1.208 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.114 -2.034 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.530 -2.590 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.995 0.126 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.847 -1.131 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.575 0.481 -0.341 1.00 0.00 H new ATOM 444 N ASP A 32 -4.626 -3.087 2.719 1.00 0.00 N ATOM 445 CA ASP A 32 -5.161 -3.846 3.851 1.00 0.00 C ATOM 446 C ASP A 32 -4.043 -4.071 4.850 1.00 0.00 C ATOM 447 O ASP A 32 -3.091 -4.797 4.561 1.00 0.00 O ATOM 448 CB ASP A 32 -5.641 -5.203 3.302 1.00 0.00 C ATOM 449 CG ASP A 32 -6.269 -6.184 4.294 1.00 0.00 C ATOM 450 OD1 ASP A 32 -5.865 -6.227 5.470 1.00 0.00 O ATOM 451 OD2 ASP A 32 -7.073 -7.045 3.841 1.00 0.00 O ATOM 0 H ASP A 32 -4.058 -3.688 2.122 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.980 -3.317 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.369 -5.009 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.789 -5.697 2.834 1.00 0.00 H new ATOM 456 N HIS A 33 -4.126 -3.429 6.013 1.00 0.00 N ATOM 457 CA HIS A 33 -3.114 -3.559 7.055 1.00 0.00 C ATOM 458 C HIS A 33 -3.200 -4.869 7.838 1.00 0.00 C ATOM 459 O HIS A 33 -2.227 -5.231 8.504 1.00 0.00 O ATOM 460 CB HIS A 33 -3.226 -2.375 8.014 1.00 0.00 C ATOM 461 CG HIS A 33 -2.324 -1.248 7.616 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.959 -1.203 7.900 1.00 0.00 N ATOM 463 CD2 HIS A 33 -2.675 -0.156 6.879 1.00 0.00 C ATOM 464 CE1 HIS A 33 -0.524 -0.042 7.390 1.00 0.00 C ATOM 465 NE2 HIS A 33 -1.526 0.583 6.744 1.00 0.00 N ATOM 0 H HIS A 33 -4.895 -2.806 6.258 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.146 -3.567 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.257 -2.023 8.038 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.976 -2.701 9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.652 0.079 6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.483 0.337 7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.445 1.464 6.236 1.00 0.00 H new ATOM 473 N THR A 34 -4.333 -5.573 7.798 1.00 0.00 N ATOM 474 CA THR A 34 -4.501 -6.830 8.515 1.00 0.00 C ATOM 475 C THR A 34 -3.813 -7.970 7.758 1.00 0.00 C ATOM 476 O THR A 34 -3.238 -8.858 8.387 1.00 0.00 O ATOM 477 CB THR A 34 -6.008 -7.105 8.685 1.00 0.00 C ATOM 478 OG1 THR A 34 -6.621 -6.080 9.454 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.313 -8.449 9.348 1.00 0.00 C ATOM 0 H THR A 34 -5.156 -5.285 7.268 1.00 0.00 H new ATOM 0 HA THR A 34 -4.037 -6.763 9.499 1.00 0.00 H new ATOM 0 HB THR A 34 -6.414 -7.130 7.674 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.577 -6.271 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.392 -8.575 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.901 -9.256 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.863 -8.475 10.341 1.00 0.00 H new ATOM 487 N ASN A 35 -3.776 -7.910 6.424 1.00 0.00 N ATOM 488 CA ASN A 35 -3.189 -8.957 5.589 1.00 0.00 C ATOM 489 C ASN A 35 -1.982 -8.474 4.796 1.00 0.00 C ATOM 490 O ASN A 35 -1.297 -9.289 4.174 1.00 0.00 O ATOM 491 CB ASN A 35 -4.277 -9.548 4.684 1.00 0.00 C ATOM 492 CG ASN A 35 -5.443 -10.088 5.505 1.00 0.00 C ATOM 493 OD1 ASN A 35 -5.412 -11.219 5.989 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.464 -9.274 5.716 1.00 0.00 N ATOM 0 H ASN A 35 -4.156 -7.127 5.891 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.804 -9.740 6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.637 -8.783 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.854 -10.349 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.249 -9.579 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.466 -8.341 5.304 1.00 0.00 H new ATOM 501 N LYS A 36 -1.663 -7.176 4.861 1.00 0.00 N ATOM 502 CA LYS A 36 -0.552 -6.507 4.182 1.00 0.00 C ATOM 503 C LYS A 36 -0.632 -6.763 2.680 1.00 0.00 C ATOM 504 O LYS A 36 0.328 -7.227 2.065 1.00 0.00 O ATOM 505 CB LYS A 36 0.787 -6.883 4.854 1.00 0.00 C ATOM 506 CG LYS A 36 0.862 -6.340 6.295 1.00 0.00 C ATOM 507 CD LYS A 36 1.413 -4.919 6.398 1.00 0.00 C ATOM 508 CE LYS A 36 2.925 -4.852 6.159 1.00 0.00 C ATOM 509 NZ LYS A 36 3.696 -5.618 7.158 1.00 0.00 N ATOM 0 H LYS A 36 -2.210 -6.526 5.425 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.621 -5.424 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.899 -7.967 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.615 -6.483 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.136 -6.364 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.488 -7.005 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.906 -4.284 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.187 -4.517 7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.148 -5.235 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.246 -3.810 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.491 -6.097 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.062 -4.971 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.079 -6.326 7.604 1.00 0.00 H new ATOM 523 N ARG A 37 -1.798 -6.481 2.093 1.00 0.00 N ATOM 524 CA ARG A 37 -2.069 -6.653 0.666 1.00 0.00 C ATOM 525 C ARG A 37 -2.552 -5.347 0.060 1.00 0.00 C ATOM 526 O ARG A 37 -2.886 -4.418 0.793 1.00 0.00 O ATOM 527 CB ARG A 37 -3.102 -7.764 0.432 1.00 0.00 C ATOM 528 CG ARG A 37 -2.584 -9.117 0.920 1.00 0.00 C ATOM 529 CD ARG A 37 -3.278 -10.290 0.233 1.00 0.00 C ATOM 530 NE ARG A 37 -4.711 -10.377 0.549 1.00 0.00 N ATOM 531 CZ ARG A 37 -5.549 -11.255 -0.008 1.00 0.00 C ATOM 532 NH1 ARG A 37 -5.142 -12.111 -0.939 1.00 0.00 N ATOM 533 NH2 ARG A 37 -6.808 -11.291 0.390 1.00 0.00 N ATOM 0 H ARG A 37 -2.598 -6.118 2.611 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.140 -6.946 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.028 -7.518 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.339 -7.825 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.511 -9.178 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.731 -9.192 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.155 -10.196 -0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.789 -11.218 0.530 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.089 -9.726 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.169 -12.108 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.803 -12.771 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.132 -10.652 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.456 -11.958 -0.029 1.00 0.00 H new ATOM 547 N ALA A 38 -2.555 -5.274 -1.269 1.00 0.00 N ATOM 548 CA ALA A 38 -2.990 -4.125 -2.042 1.00 0.00 C ATOM 549 C ALA A 38 -4.038 -4.588 -3.055 1.00 0.00 C ATOM 550 O ALA A 38 -3.986 -5.731 -3.520 1.00 0.00 O ATOM 551 CB ALA A 38 -1.782 -3.504 -2.758 1.00 0.00 C ATOM 0 H ALA A 38 -2.241 -6.047 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.429 -3.370 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.107 -2.641 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.045 -3.188 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.335 -4.242 -3.424 1.00 0.00 H new ATOM 557 N GLN A 39 -4.963 -3.708 -3.446 1.00 0.00 N ATOM 558 CA GLN A 39 -5.996 -4.038 -4.422 1.00 0.00 C ATOM 559 C GLN A 39 -6.465 -2.803 -5.184 1.00 0.00 C ATOM 560 O GLN A 39 -6.328 -1.666 -4.727 1.00 0.00 O ATOM 561 CB GLN A 39 -7.155 -4.805 -3.773 1.00 0.00 C ATOM 562 CG GLN A 39 -7.931 -4.046 -2.691 1.00 0.00 C ATOM 563 CD GLN A 39 -9.043 -4.927 -2.118 1.00 0.00 C ATOM 564 OE1 GLN A 39 -8.828 -6.080 -1.761 1.00 0.00 O ATOM 565 NE2 GLN A 39 -10.268 -4.438 -2.045 1.00 0.00 N ATOM 0 H GLN A 39 -5.014 -2.752 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.553 -4.706 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.854 -5.101 -4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.760 -5.722 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.253 -3.741 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.359 -3.136 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.453 -3.479 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.029 -5.019 -1.693 1.00 0.00 H new ATOM 574 N TYR A 40 -7.074 -3.049 -6.345 1.00 0.00 N ATOM 575 CA TYR A 40 -7.588 -2.035 -7.263 1.00 0.00 C ATOM 576 C TYR A 40 -9.076 -1.704 -7.054 1.00 0.00 C ATOM 577 O TYR A 40 -9.714 -1.157 -7.957 1.00 0.00 O ATOM 578 CB TYR A 40 -7.262 -2.491 -8.698 1.00 0.00 C ATOM 579 CG TYR A 40 -5.799 -2.453 -9.132 1.00 0.00 C ATOM 580 CD1 TYR A 40 -4.765 -1.968 -8.302 1.00 0.00 C ATOM 581 CD2 TYR A 40 -5.477 -2.879 -10.434 1.00 0.00 C ATOM 582 CE1 TYR A 40 -3.444 -1.906 -8.776 1.00 0.00 C ATOM 583 CE2 TYR A 40 -4.160 -2.816 -10.916 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.135 -2.307 -10.093 1.00 0.00 C ATOM 585 OH TYR A 40 -1.853 -2.247 -10.546 1.00 0.00 O ATOM 0 H TYR A 40 -7.228 -3.999 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.093 -1.086 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.622 -3.513 -8.817 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.834 -1.870 -9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.991 -1.643 -7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.258 -3.262 -11.075 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.658 -1.548 -8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.933 -3.157 -11.915 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.819 -2.562 -11.474 1.00 0.00 H new ATOM 595 N ARG A 41 -9.679 -2.050 -5.911 1.00 0.00 N ATOM 596 CA ARG A 41 -11.087 -1.745 -5.640 1.00 0.00 C ATOM 597 C ARG A 41 -11.276 -1.419 -4.168 1.00 0.00 C ATOM 598 O ARG A 41 -10.549 -1.959 -3.336 1.00 0.00 O ATOM 599 CB ARG A 41 -12.023 -2.873 -6.125 1.00 0.00 C ATOM 600 CG ARG A 41 -11.828 -4.297 -5.574 1.00 0.00 C ATOM 601 CD ARG A 41 -10.550 -4.983 -6.071 1.00 0.00 C ATOM 602 NE ARG A 41 -10.742 -6.409 -6.379 1.00 0.00 N ATOM 603 CZ ARG A 41 -10.247 -7.106 -7.412 1.00 0.00 C ATOM 604 NH1 ARG A 41 -9.651 -6.516 -8.443 1.00 0.00 N ATOM 605 NH2 ARG A 41 -10.351 -8.427 -7.382 1.00 0.00 N ATOM 0 H ARG A 41 -9.209 -2.545 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.367 -0.861 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.046 -2.571 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.938 -2.926 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.807 -4.255 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.688 -4.906 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.193 -4.470 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.773 -4.883 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.324 -6.933 -5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.558 -5.500 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.286 -7.079 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.798 -8.885 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.984 -8.985 -8.153 1.00 0.00 H new ATOM 619 N HIS A 42 -12.261 -0.583 -3.841 1.00 0.00 N ATOM 620 CA HIS A 42 -12.566 -0.182 -2.465 1.00 0.00 C ATOM 621 C HIS A 42 -12.914 -1.439 -1.644 1.00 0.00 C ATOM 622 O HIS A 42 -13.573 -2.329 -2.200 1.00 0.00 O ATOM 623 CB HIS A 42 -13.719 0.833 -2.497 1.00 0.00 C ATOM 624 CG HIS A 42 -14.162 1.344 -1.148 1.00 0.00 C ATOM 625 ND1 HIS A 42 -15.029 0.674 -0.286 1.00 0.00 N ATOM 626 CD2 HIS A 42 -13.780 2.524 -0.578 1.00 0.00 C ATOM 627 CE1 HIS A 42 -15.142 1.464 0.798 1.00 0.00 C ATOM 628 NE2 HIS A 42 -14.405 2.580 0.650 1.00 0.00 N ATOM 0 H HIS A 42 -12.879 -0.159 -4.533 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.710 0.296 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.417 1.683 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.574 0.372 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.120 3.266 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -15.741 1.234 1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.323 3.337 1.329 1.00 0.00 H new ATOM 636 N PRO A 43 -12.514 -1.545 -0.364 1.00 0.00 N ATOM 637 CA PRO A 43 -12.761 -2.690 0.519 1.00 0.00 C ATOM 638 C PRO A 43 -14.217 -2.882 0.989 1.00 0.00 C ATOM 639 O PRO A 43 -14.474 -3.099 2.179 1.00 0.00 O ATOM 640 CB PRO A 43 -11.783 -2.485 1.679 1.00 0.00 C ATOM 641 CG PRO A 43 -11.731 -0.972 1.812 1.00 0.00 C ATOM 642 CD PRO A 43 -11.733 -0.544 0.350 1.00 0.00 C ATOM 0 HA PRO A 43 -12.599 -3.621 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.136 -2.960 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.802 -2.906 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.589 -0.577 2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.837 -0.636 2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.172 0.447 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.717 -0.490 -0.042 1.00 0.00 H new ATOM 650 N SER A 44 -15.195 -2.766 0.094 1.00 0.00 N ATOM 651 CA SER A 44 -16.588 -2.980 0.440 1.00 0.00 C ATOM 652 C SER A 44 -16.827 -4.496 0.339 1.00 0.00 C ATOM 653 O SER A 44 -16.448 -5.112 -0.665 1.00 0.00 O ATOM 654 CB SER A 44 -17.498 -2.158 -0.478 1.00 0.00 C ATOM 655 OG SER A 44 -18.564 -1.583 0.260 1.00 0.00 O ATOM 0 H SER A 44 -15.040 -2.522 -0.884 1.00 0.00 H new ATOM 0 HA SER A 44 -16.823 -2.643 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.919 -1.372 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.897 -2.794 -1.268 1.00 0.00 H new ATOM 0 HG SER A 44 -19.134 -1.060 -0.342 1.00 0.00 H new ATOM 661 N GLY A 45 -17.439 -5.081 1.371 1.00 0.00 N ATOM 662 CA GLY A 45 -17.775 -6.499 1.487 1.00 0.00 C ATOM 663 C GLY A 45 -16.573 -7.390 1.828 1.00 0.00 C ATOM 664 O GLY A 45 -15.427 -6.939 1.726 1.00 0.00 O ATOM 0 H GLY A 45 -17.728 -4.548 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.537 -6.621 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.213 -6.838 0.548 1.00 0.00 H new ATOM 668 N PRO A 46 -16.811 -8.639 2.268 1.00 0.00 N ATOM 669 CA PRO A 46 -15.749 -9.577 2.608 1.00 0.00 C ATOM 670 C PRO A 46 -15.099 -10.081 1.321 1.00 0.00 C ATOM 671 O PRO A 46 -15.755 -10.169 0.280 1.00 0.00 O ATOM 672 CB PRO A 46 -16.440 -10.721 3.351 1.00 0.00 C ATOM 673 CG PRO A 46 -17.831 -10.744 2.720 1.00 0.00 C ATOM 674 CD PRO A 46 -18.115 -9.270 2.427 1.00 0.00 C ATOM 0 HA PRO A 46 -14.967 -9.127 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.917 -11.667 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.486 -10.537 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.849 -11.345 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.572 -11.169 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -18.716 -9.159 1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.675 -8.810 3.241 1.00 0.00 H new ATOM 682 N SER A 47 -13.818 -10.439 1.377 1.00 0.00 N ATOM 683 CA SER A 47 -13.150 -10.926 0.189 1.00 0.00 C ATOM 684 C SER A 47 -13.593 -12.354 -0.112 1.00 0.00 C ATOM 685 O SER A 47 -13.701 -13.192 0.792 1.00 0.00 O ATOM 686 CB SER A 47 -11.632 -10.820 0.351 1.00 0.00 C ATOM 687 OG SER A 47 -11.160 -11.470 1.513 1.00 0.00 O ATOM 0 H SER A 47 -13.239 -10.400 2.216 1.00 0.00 H new ATOM 0 HA SER A 47 -13.430 -10.306 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.147 -11.252 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.347 -9.768 0.387 1.00 0.00 H new ATOM 0 HG SER A 47 -10.186 -11.374 1.569 1.00 0.00 H new ATOM 693 N SER A 48 -13.878 -12.620 -1.383 1.00 0.00 N ATOM 694 CA SER A 48 -14.271 -13.917 -1.895 1.00 0.00 C ATOM 695 C SER A 48 -12.978 -14.544 -2.409 1.00 0.00 C ATOM 696 O SER A 48 -12.627 -15.643 -1.978 1.00 0.00 O ATOM 697 CB SER A 48 -15.360 -13.763 -2.968 1.00 0.00 C ATOM 698 OG SER A 48 -16.484 -14.554 -2.633 1.00 0.00 O ATOM 0 H SER A 48 -13.838 -11.905 -2.109 1.00 0.00 H new ATOM 0 HA SER A 48 -14.723 -14.563 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.653 -12.717 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.970 -14.064 -3.940 1.00 0.00 H new ATOM 0 HG SER A 48 -17.174 -14.449 -3.321 1.00 0.00 H new ATOM 704 N GLY A 49 -12.277 -13.852 -3.315 1.00 0.00 N ATOM 705 CA GLY A 49 -11.014 -14.286 -3.883 1.00 0.00 C ATOM 706 C GLY A 49 -9.941 -13.635 -3.043 1.00 0.00 C ATOM 707 O GLY A 49 -9.742 -14.093 -1.901 1.00 0.00 O ATOM 0 H GLY A 49 -12.589 -12.951 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.926 -15.372 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.930 -13.984 -4.927 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 17.692 -13.022 -25.361 1.00 0.00 N ATOM 713 CA GLY B 1 17.577 -13.635 -24.031 1.00 0.00 C ATOM 714 C GLY B 1 17.716 -12.608 -22.923 1.00 0.00 C ATOM 715 O GLY B 1 18.530 -11.686 -23.014 1.00 0.00 O ATOM 0 H1 GLY B 1 16.755 -12.992 -25.812 1.00 0.00 H new ATOM 0 H2 GLY B 1 18.061 -12.054 -25.267 1.00 0.00 H new ATOM 0 H3 GLY B 1 18.341 -13.585 -25.948 1.00 0.00 H new ATOM 0 HA2 GLY B 1 16.613 -14.136 -23.944 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.345 -14.400 -23.916 1.00 0.00 H new ATOM 719 N SER B 2 16.928 -12.780 -21.863 1.00 0.00 N ATOM 720 CA SER B 2 16.878 -11.922 -20.688 1.00 0.00 C ATOM 721 C SER B 2 18.200 -11.843 -19.911 1.00 0.00 C ATOM 722 O SER B 2 19.053 -12.732 -20.011 1.00 0.00 O ATOM 723 CB SER B 2 15.790 -12.497 -19.772 1.00 0.00 C ATOM 724 OG SER B 2 14.567 -12.580 -20.480 1.00 0.00 O ATOM 0 H SER B 2 16.276 -13.562 -21.801 1.00 0.00 H new ATOM 0 HA SER B 2 16.670 -10.904 -21.018 1.00 0.00 H new ATOM 0 HB2 SER B 2 16.084 -13.485 -19.417 1.00 0.00 H new ATOM 0 HB3 SER B 2 15.670 -11.865 -18.892 1.00 0.00 H new ATOM 0 HG SER B 2 13.874 -12.949 -19.894 1.00 0.00 H new ATOM 730 N SER B 3 18.326 -10.793 -19.095 1.00 0.00 N ATOM 731 CA SER B 3 19.449 -10.474 -18.215 1.00 0.00 C ATOM 732 C SER B 3 18.880 -9.909 -16.909 1.00 0.00 C ATOM 733 O SER B 3 17.717 -9.481 -16.881 1.00 0.00 O ATOM 734 CB SER B 3 20.377 -9.427 -18.851 1.00 0.00 C ATOM 735 OG SER B 3 20.814 -9.818 -20.141 1.00 0.00 O ATOM 0 H SER B 3 17.588 -10.092 -19.029 1.00 0.00 H new ATOM 0 HA SER B 3 20.031 -11.378 -18.037 1.00 0.00 H new ATOM 0 HB2 SER B 3 19.854 -8.473 -18.919 1.00 0.00 H new ATOM 0 HB3 SER B 3 21.242 -9.271 -18.207 1.00 0.00 H new ATOM 0 HG SER B 3 21.400 -9.125 -20.512 1.00 0.00 H new ATOM 741 N GLY B 4 19.673 -9.889 -15.842 1.00 0.00 N ATOM 742 CA GLY B 4 19.320 -9.384 -14.527 1.00 0.00 C ATOM 743 C GLY B 4 20.607 -9.113 -13.758 1.00 0.00 C ATOM 744 O GLY B 4 21.288 -10.061 -13.356 1.00 0.00 O ATOM 0 H GLY B 4 20.629 -10.244 -15.877 1.00 0.00 H new ATOM 0 HA2 GLY B 4 18.731 -8.471 -14.616 1.00 0.00 H new ATOM 0 HA3 GLY B 4 18.705 -10.109 -13.994 1.00 0.00 H new ATOM 748 N SER B 5 20.935 -7.844 -13.535 1.00 0.00 N ATOM 749 CA SER B 5 22.129 -7.401 -12.833 1.00 0.00 C ATOM 750 C SER B 5 21.706 -6.512 -11.666 1.00 0.00 C ATOM 751 O SER B 5 21.941 -5.304 -11.684 1.00 0.00 O ATOM 752 CB SER B 5 23.045 -6.672 -13.825 1.00 0.00 C ATOM 753 OG SER B 5 23.314 -7.464 -14.971 1.00 0.00 O ATOM 0 H SER B 5 20.353 -7.069 -13.851 1.00 0.00 H new ATOM 0 HA SER B 5 22.689 -8.242 -12.425 1.00 0.00 H new ATOM 0 HB2 SER B 5 22.578 -5.736 -14.131 1.00 0.00 H new ATOM 0 HB3 SER B 5 23.983 -6.414 -13.333 1.00 0.00 H new ATOM 0 HG SER B 5 23.898 -6.968 -15.582 1.00 0.00 H new ATOM 759 N SER B 6 21.029 -7.091 -10.672 1.00 0.00 N ATOM 760 CA SER B 6 20.559 -6.378 -9.488 1.00 0.00 C ATOM 761 C SER B 6 21.726 -5.658 -8.807 1.00 0.00 C ATOM 762 O SER B 6 22.809 -6.232 -8.658 1.00 0.00 O ATOM 763 CB SER B 6 19.823 -7.343 -8.538 1.00 0.00 C ATOM 764 OG SER B 6 20.160 -8.707 -8.771 1.00 0.00 O ATOM 0 H SER B 6 20.790 -8.083 -10.669 1.00 0.00 H new ATOM 0 HA SER B 6 19.840 -5.614 -9.784 1.00 0.00 H new ATOM 0 HB2 SER B 6 20.063 -7.085 -7.507 1.00 0.00 H new ATOM 0 HB3 SER B 6 18.747 -7.213 -8.657 1.00 0.00 H new ATOM 0 HG SER B 6 19.669 -9.277 -8.143 1.00 0.00 H new ATOM 770 N GLY B 7 21.525 -4.391 -8.443 1.00 0.00 N ATOM 771 CA GLY B 7 22.538 -3.575 -7.791 1.00 0.00 C ATOM 772 C GLY B 7 22.621 -3.868 -6.290 1.00 0.00 C ATOM 773 O GLY B 7 21.826 -4.661 -5.771 1.00 0.00 O ATOM 0 H GLY B 7 20.643 -3.901 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY B 7 23.508 -3.761 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY B 7 22.310 -2.520 -7.944 1.00 0.00 H new ATOM 777 N PRO B 8 23.579 -3.247 -5.583 1.00 0.00 N ATOM 778 CA PRO B 8 23.775 -3.417 -4.155 1.00 0.00 C ATOM 779 C PRO B 8 22.758 -2.590 -3.361 1.00 0.00 C ATOM 780 O PRO B 8 21.872 -3.172 -2.740 1.00 0.00 O ATOM 781 CB PRO B 8 25.221 -2.998 -3.896 1.00 0.00 C ATOM 782 CG PRO B 8 25.505 -1.956 -4.983 1.00 0.00 C ATOM 783 CD PRO B 8 24.555 -2.317 -6.126 1.00 0.00 C ATOM 0 HA PRO B 8 23.612 -4.444 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO B 8 25.342 -2.577 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO B 8 25.902 -3.846 -3.969 1.00 0.00 H new ATOM 0 HG2 PRO B 8 25.321 -0.945 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO B 8 26.545 -1.994 -5.306 1.00 0.00 H new ATOM 0 HD2 PRO B 8 24.064 -1.426 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO B 8 25.101 -2.769 -6.954 1.00 0.00 H new ATOM 791 N LEU B 9 22.900 -1.261 -3.349 1.00 0.00 N ATOM 792 CA LEU B 9 22.060 -0.299 -2.651 1.00 0.00 C ATOM 793 C LEU B 9 22.013 0.962 -3.509 1.00 0.00 C ATOM 794 O LEU B 9 23.067 1.501 -3.846 1.00 0.00 O ATOM 795 CB LEU B 9 22.677 0.083 -1.286 1.00 0.00 C ATOM 796 CG LEU B 9 22.898 -1.068 -0.291 1.00 0.00 C ATOM 797 CD1 LEU B 9 23.704 -0.584 0.913 1.00 0.00 C ATOM 798 CD2 LEU B 9 21.586 -1.658 0.216 1.00 0.00 C ATOM 0 H LEU B 9 23.655 -0.805 -3.861 1.00 0.00 H new ATOM 0 HA LEU B 9 21.073 -0.730 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU B 9 23.637 0.567 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU B 9 22.031 0.824 -0.814 1.00 0.00 H new ATOM 0 HG LEU B 9 23.442 -1.843 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU B 9 23.852 -1.411 1.608 1.00 0.00 H new ATOM 0 HD12 LEU B 9 24.673 -0.214 0.577 1.00 0.00 H new ATOM 0 HD13 LEU B 9 23.163 0.219 1.414 1.00 0.00 H new ATOM 0 HD21 LEU B 9 21.797 -2.467 0.915 1.00 0.00 H new ATOM 0 HD22 LEU B 9 21.010 -0.883 0.721 1.00 0.00 H new ATOM 0 HD23 LEU B 9 21.012 -2.046 -0.626 1.00 0.00 H new ATOM 810 N GLU B 10 20.828 1.427 -3.891 1.00 0.00 N ATOM 811 CA GLU B 10 20.680 2.645 -4.693 1.00 0.00 C ATOM 812 C GLU B 10 20.670 3.839 -3.739 1.00 0.00 C ATOM 813 O GLU B 10 20.454 3.681 -2.531 1.00 0.00 O ATOM 814 CB GLU B 10 19.347 2.620 -5.466 1.00 0.00 C ATOM 815 CG GLU B 10 19.229 1.438 -6.439 1.00 0.00 C ATOM 816 CD GLU B 10 17.797 1.020 -6.783 1.00 0.00 C ATOM 817 OE1 GLU B 10 16.859 1.864 -6.765 1.00 0.00 O ATOM 818 OE2 GLU B 10 17.617 -0.173 -7.128 1.00 0.00 O ATOM 0 H GLU B 10 19.944 0.975 -3.657 1.00 0.00 H new ATOM 0 HA GLU B 10 21.501 2.715 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU B 10 18.523 2.578 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU B 10 19.241 3.551 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU B 10 19.748 1.695 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU B 10 19.748 0.581 -6.010 1.00 0.00 H new ATOM 825 N ARG B 11 20.904 5.039 -4.263 1.00 0.00 N ATOM 826 CA ARG B 11 20.887 6.264 -3.468 1.00 0.00 C ATOM 827 C ARG B 11 19.543 6.968 -3.625 1.00 0.00 C ATOM 828 O ARG B 11 19.204 7.812 -2.800 1.00 0.00 O ATOM 829 CB ARG B 11 21.990 7.210 -3.950 1.00 0.00 C ATOM 830 CG ARG B 11 23.402 6.715 -3.656 1.00 0.00 C ATOM 831 CD ARG B 11 24.421 7.816 -4.009 1.00 0.00 C ATOM 832 NE ARG B 11 25.820 7.349 -4.063 1.00 0.00 N ATOM 833 CZ ARG B 11 26.550 6.768 -3.104 1.00 0.00 C ATOM 834 NH1 ARG B 11 26.067 6.588 -1.880 1.00 0.00 N ATOM 835 NH2 ARG B 11 27.786 6.378 -3.383 1.00 0.00 N ATOM 0 H ARG B 11 21.111 5.190 -5.250 1.00 0.00 H new ATOM 0 HA ARG B 11 21.049 6.002 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG B 11 21.884 7.358 -5.025 1.00 0.00 H new ATOM 0 HB3 ARG B 11 21.852 8.183 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG B 11 23.492 6.446 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG B 11 23.610 5.814 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG B 11 24.155 8.245 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG B 11 24.345 8.616 -3.273 1.00 0.00 H new ATOM 0 HE ARG B 11 26.296 7.488 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG B 11 25.121 6.895 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG B 11 26.642 6.143 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG B 11 28.168 6.522 -4.318 1.00 0.00 H new ATOM 0 HH22 ARG B 11 28.355 5.934 -2.663 1.00 0.00 H new ATOM 849 N GLU B 12 18.795 6.637 -4.674 1.00 0.00 N ATOM 850 CA GLU B 12 17.507 7.238 -4.974 1.00 0.00 C ATOM 851 C GLU B 12 16.424 6.823 -3.973 1.00 0.00 C ATOM 852 O GLU B 12 16.648 6.004 -3.076 1.00 0.00 O ATOM 853 CB GLU B 12 17.106 6.893 -6.412 1.00 0.00 C ATOM 854 CG GLU B 12 18.238 7.114 -7.434 1.00 0.00 C ATOM 855 CD GLU B 12 17.728 7.807 -8.705 1.00 0.00 C ATOM 856 OE1 GLU B 12 16.668 7.423 -9.247 1.00 0.00 O ATOM 857 OE2 GLU B 12 18.341 8.816 -9.115 1.00 0.00 O ATOM 0 H GLU B 12 19.077 5.928 -5.351 1.00 0.00 H new ATOM 0 HA GLU B 12 17.604 8.320 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU B 12 16.789 5.851 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU B 12 16.246 7.499 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU B 12 19.024 7.718 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU B 12 18.684 6.155 -7.697 1.00 0.00 H new ATOM 864 N GLY B 13 15.230 7.395 -4.143 1.00 0.00 N ATOM 865 CA GLY B 13 14.071 7.152 -3.303 1.00 0.00 C ATOM 866 C GLY B 13 13.662 5.687 -3.272 1.00 0.00 C ATOM 867 O GLY B 13 13.783 5.045 -2.227 1.00 0.00 O ATOM 0 H GLY B 13 15.045 8.060 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY B 13 14.287 7.486 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY B 13 13.235 7.750 -3.664 1.00 0.00 H new ATOM 871 N LEU B 14 13.158 5.161 -4.386 1.00 0.00 N ATOM 872 CA LEU B 14 12.703 3.781 -4.534 1.00 0.00 C ATOM 873 C LEU B 14 12.881 3.336 -5.984 1.00 0.00 C ATOM 874 O LEU B 14 12.952 4.202 -6.860 1.00 0.00 O ATOM 875 CB LEU B 14 11.194 3.717 -4.227 1.00 0.00 C ATOM 876 CG LEU B 14 10.811 3.746 -2.745 1.00 0.00 C ATOM 877 CD1 LEU B 14 9.296 3.886 -2.650 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.253 2.469 -2.029 1.00 0.00 C ATOM 0 H LEU B 14 13.051 5.705 -5.242 1.00 0.00 H new ATOM 0 HA LEU B 14 13.276 3.145 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU B 14 10.706 4.555 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.791 2.805 -4.669 1.00 0.00 H new ATOM 0 HG LEU B 14 11.312 4.586 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU B 14 8.998 3.909 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.985 4.811 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.821 3.039 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU B 14 10.966 2.523 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU B 14 10.773 1.607 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.336 2.366 -2.104 1.00 0.00 H new ATOM 890 N PRO B 15 12.904 2.022 -6.261 1.00 0.00 N ATOM 891 CA PRO B 15 13.030 1.519 -7.624 1.00 0.00 C ATOM 892 C PRO B 15 11.774 1.884 -8.450 1.00 0.00 C ATOM 893 O PRO B 15 10.739 2.223 -7.860 1.00 0.00 O ATOM 894 CB PRO B 15 13.293 0.015 -7.487 1.00 0.00 C ATOM 895 CG PRO B 15 12.667 -0.326 -6.149 1.00 0.00 C ATOM 896 CD PRO B 15 12.843 0.925 -5.309 1.00 0.00 C ATOM 0 HA PRO B 15 13.852 1.972 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.837 -0.549 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.359 -0.210 -7.502 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.614 -0.584 -6.259 1.00 0.00 H new ATOM 0 HG3 PRO B 15 13.158 -1.184 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO B 15 12.012 1.053 -4.615 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.753 0.872 -4.711 1.00 0.00 H new ATOM 904 N PRO B 16 11.839 1.829 -9.793 1.00 0.00 N ATOM 905 CA PRO B 16 10.723 2.170 -10.665 1.00 0.00 C ATOM 906 C PRO B 16 9.585 1.167 -10.481 1.00 0.00 C ATOM 907 O PRO B 16 9.720 0.009 -10.877 1.00 0.00 O ATOM 908 CB PRO B 16 11.295 2.182 -12.089 1.00 0.00 C ATOM 909 CG PRO B 16 12.504 1.253 -12.013 1.00 0.00 C ATOM 910 CD PRO B 16 13.002 1.435 -10.580 1.00 0.00 C ATOM 0 HA PRO B 16 10.289 3.143 -10.435 1.00 0.00 H new ATOM 0 HB2 PRO B 16 10.564 1.826 -12.815 1.00 0.00 H new ATOM 0 HB3 PRO B 16 11.584 3.188 -12.394 1.00 0.00 H new ATOM 0 HG2 PRO B 16 12.228 0.218 -12.214 1.00 0.00 H new ATOM 0 HG3 PRO B 16 13.267 1.527 -12.741 1.00 0.00 H new ATOM 0 HD2 PRO B 16 13.436 0.511 -10.198 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.781 2.196 -10.532 1.00 0.00 H new ATOM 918 N GLY B 17 8.486 1.590 -9.856 1.00 0.00 N ATOM 919 CA GLY B 17 7.309 0.770 -9.603 1.00 0.00 C ATOM 920 C GLY B 17 6.974 0.663 -8.119 1.00 0.00 C ATOM 921 O GLY B 17 5.816 0.409 -7.784 1.00 0.00 O ATOM 0 H GLY B 17 8.391 2.542 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY B 17 6.456 1.192 -10.134 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.473 -0.229 -10.007 1.00 0.00 H new ATOM 925 N TRP B 18 7.946 0.807 -7.215 1.00 0.00 N ATOM 926 CA TRP B 18 7.683 0.724 -5.781 1.00 0.00 C ATOM 927 C TRP B 18 7.131 2.059 -5.304 1.00 0.00 C ATOM 928 O TRP B 18 7.492 3.107 -5.830 1.00 0.00 O ATOM 929 CB TRP B 18 8.956 0.376 -5.001 1.00 0.00 C ATOM 930 CG TRP B 18 9.120 -1.078 -4.695 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.689 -1.993 -5.503 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.682 -1.814 -3.515 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.614 -3.238 -4.921 1.00 0.00 N ATOM 934 CE2 TRP B 18 9.008 -3.190 -3.689 1.00 0.00 C ATOM 935 CE3 TRP B 18 8.005 -1.460 -2.331 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.694 -4.166 -2.732 1.00 0.00 C ATOM 937 CZ3 TRP B 18 7.636 -2.435 -1.386 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.015 -3.774 -1.569 1.00 0.00 C ATOM 0 H TRP B 18 8.922 0.982 -7.453 1.00 0.00 H new ATOM 0 HA TRP B 18 6.957 -0.069 -5.602 1.00 0.00 H new ATOM 0 HB2 TRP B 18 9.820 0.713 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP B 18 8.956 0.933 -4.064 1.00 0.00 H new ATOM 0 HD1 TRP B 18 10.137 -1.782 -6.463 1.00 0.00 H new ATOM 0 HE1 TRP B 18 9.966 -4.093 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP B 18 7.765 -0.423 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 8.969 -5.199 -2.887 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.060 -2.152 -0.518 1.00 0.00 H new ATOM 0 HH2 TRP B 18 7.783 -4.506 -0.810 1.00 0.00 H new ATOM 949 N GLU B 19 6.274 2.022 -4.280 1.00 0.00 N ATOM 950 CA GLU B 19 5.667 3.226 -3.726 1.00 0.00 C ATOM 951 C GLU B 19 5.794 3.244 -2.203 1.00 0.00 C ATOM 952 O GLU B 19 5.900 2.193 -1.557 1.00 0.00 O ATOM 953 CB GLU B 19 4.192 3.286 -4.170 1.00 0.00 C ATOM 954 CG GLU B 19 3.503 4.621 -3.832 1.00 0.00 C ATOM 955 CD GLU B 19 4.244 5.781 -4.491 1.00 0.00 C ATOM 956 OE1 GLU B 19 4.094 5.985 -5.718 1.00 0.00 O ATOM 957 OE2 GLU B 19 5.068 6.413 -3.789 1.00 0.00 O ATOM 0 H GLU B 19 5.985 1.160 -3.817 1.00 0.00 H new ATOM 0 HA GLU B 19 6.187 4.108 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.138 3.120 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.644 2.473 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.468 4.601 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.479 4.763 -2.751 1.00 0.00 H new ATOM 964 N ARG B 20 5.826 4.454 -1.641 1.00 0.00 N ATOM 965 CA ARG B 20 5.909 4.716 -0.211 1.00 0.00 C ATOM 966 C ARG B 20 4.576 5.321 0.192 1.00 0.00 C ATOM 967 O ARG B 20 4.042 6.171 -0.521 1.00 0.00 O ATOM 968 CB ARG B 20 7.056 5.691 0.092 1.00 0.00 C ATOM 969 CG ARG B 20 7.220 5.935 1.606 1.00 0.00 C ATOM 970 CD ARG B 20 8.490 6.736 1.910 1.00 0.00 C ATOM 971 NE ARG B 20 8.449 8.080 1.320 1.00 0.00 N ATOM 972 CZ ARG B 20 9.494 8.855 1.030 1.00 0.00 C ATOM 973 NH1 ARG B 20 10.733 8.402 1.192 1.00 0.00 N ATOM 974 NH2 ARG B 20 9.308 10.076 0.558 1.00 0.00 N ATOM 0 H ARG B 20 5.793 5.309 -2.196 1.00 0.00 H new ATOM 0 HA ARG B 20 6.111 3.801 0.346 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.986 5.294 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG B 20 6.868 6.640 -0.410 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.350 6.471 1.986 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.258 4.979 2.128 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.617 6.818 2.989 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.358 6.199 1.527 1.00 0.00 H new ATOM 0 HE ARG B 20 7.526 8.460 1.110 1.00 0.00 H new ATOM 0 HH11 ARG B 20 10.889 7.456 1.540 1.00 0.00 H new ATOM 0 HH12 ARG B 20 11.528 9.000 0.968 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.362 10.429 0.414 1.00 0.00 H new ATOM 0 HH22 ARG B 20 10.111 10.665 0.338 1.00 0.00 H new ATOM 988 N VAL B 21 4.062 4.905 1.340 1.00 0.00 N ATOM 989 CA VAL B 21 2.806 5.394 1.870 1.00 0.00 C ATOM 990 C VAL B 21 3.116 5.967 3.249 1.00 0.00 C ATOM 991 O VAL B 21 3.838 5.342 4.031 1.00 0.00 O ATOM 992 CB VAL B 21 1.787 4.253 1.962 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.460 4.809 2.485 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.573 3.551 0.611 1.00 0.00 C ATOM 0 H VAL B 21 4.514 4.210 1.934 1.00 0.00 H new ATOM 0 HA VAL B 21 2.369 6.156 1.225 1.00 0.00 H new ATOM 0 HB VAL B 21 2.180 3.504 2.649 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.271 4.003 2.553 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.612 5.245 3.472 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.092 5.575 1.802 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.843 2.751 0.729 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.207 4.272 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.518 3.132 0.265 1.00 0.00 H new ATOM 1004 N GLU B 22 2.561 7.134 3.560 1.00 0.00 N ATOM 1005 CA GLU B 22 2.730 7.813 4.833 1.00 0.00 C ATOM 1006 C GLU B 22 1.340 8.075 5.413 1.00 0.00 C ATOM 1007 O GLU B 22 0.389 8.365 4.684 1.00 0.00 O ATOM 1008 CB GLU B 22 3.621 9.045 4.671 1.00 0.00 C ATOM 1009 CG GLU B 22 3.084 10.112 3.706 1.00 0.00 C ATOM 1010 CD GLU B 22 4.216 11.077 3.360 1.00 0.00 C ATOM 1011 OE1 GLU B 22 4.963 10.799 2.388 1.00 0.00 O ATOM 1012 OE2 GLU B 22 4.438 12.058 4.104 1.00 0.00 O ATOM 0 H GLU B 22 1.964 7.646 2.911 1.00 0.00 H new ATOM 0 HA GLU B 22 3.263 7.199 5.559 1.00 0.00 H new ATOM 0 HB2 GLU B 22 3.765 9.502 5.650 1.00 0.00 H new ATOM 0 HB3 GLU B 22 4.602 8.722 4.322 1.00 0.00 H new ATOM 0 HG2 GLU B 22 2.698 9.643 2.801 1.00 0.00 H new ATOM 0 HG3 GLU B 22 2.255 10.652 4.163 1.00 0.00 H new ATOM 1019 N SER B 23 1.230 7.916 6.729 1.00 0.00 N ATOM 1020 CA SER B 23 0.031 8.068 7.549 1.00 0.00 C ATOM 1021 C SER B 23 0.444 8.429 8.989 1.00 0.00 C ATOM 1022 O SER B 23 1.603 8.778 9.240 1.00 0.00 O ATOM 1023 CB SER B 23 -0.707 6.715 7.508 1.00 0.00 C ATOM 1024 OG SER B 23 0.202 5.664 7.796 1.00 0.00 O ATOM 0 H SER B 23 2.039 7.658 7.294 1.00 0.00 H new ATOM 0 HA SER B 23 -0.618 8.863 7.181 1.00 0.00 H new ATOM 0 HB2 SER B 23 -1.522 6.712 8.232 1.00 0.00 H new ATOM 0 HB3 SER B 23 -1.153 6.563 6.525 1.00 0.00 H new ATOM 0 HG SER B 23 0.121 4.965 7.114 1.00 0.00 H new ATOM 1030 N SER B 24 -0.481 8.343 9.948 1.00 0.00 N ATOM 1031 CA SER B 24 -0.208 8.627 11.351 1.00 0.00 C ATOM 1032 C SER B 24 -0.517 7.405 12.209 1.00 0.00 C ATOM 1033 O SER B 24 0.309 7.008 13.032 1.00 0.00 O ATOM 1034 CB SER B 24 -1.014 9.829 11.835 1.00 0.00 C ATOM 1035 OG SER B 24 -0.881 10.947 10.973 1.00 0.00 O ATOM 0 H SER B 24 -1.447 8.072 9.767 1.00 0.00 H new ATOM 0 HA SER B 24 0.851 8.868 11.447 1.00 0.00 H new ATOM 0 HB2 SER B 24 -2.066 9.553 11.909 1.00 0.00 H new ATOM 0 HB3 SER B 24 -0.686 10.104 12.837 1.00 0.00 H new ATOM 0 HG SER B 24 -1.414 11.693 11.320 1.00 0.00 H new ATOM 1041 N GLU B 25 -1.688 6.798 11.997 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.147 5.630 12.737 1.00 0.00 C ATOM 1043 C GLU B 25 -1.169 4.495 12.485 1.00 0.00 C ATOM 1044 O GLU B 25 -0.669 3.873 13.423 1.00 0.00 O ATOM 1045 CB GLU B 25 -3.567 5.221 12.289 1.00 0.00 C ATOM 1046 CG GLU B 25 -4.402 4.649 13.444 1.00 0.00 C ATOM 1047 CD GLU B 25 -4.967 5.755 14.348 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -5.602 6.685 13.793 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -4.873 5.641 15.592 1.00 0.00 O ATOM 0 H GLU B 25 -2.353 7.115 11.291 1.00 0.00 H new ATOM 0 HA GLU B 25 -2.190 5.862 13.801 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.077 6.088 11.870 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.495 4.479 11.494 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.223 4.057 13.039 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.785 3.975 14.038 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.884 4.239 11.206 1.00 0.00 N ATOM 1057 CA PHE B 26 0.038 3.194 10.828 1.00 0.00 C ATOM 1058 C PHE B 26 1.438 3.770 10.999 1.00 0.00 C ATOM 1059 O PHE B 26 2.189 3.284 11.840 1.00 0.00 O ATOM 1060 CB PHE B 26 -0.287 2.676 9.424 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.776 2.512 9.164 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.513 1.562 9.898 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.436 3.330 8.223 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.896 1.426 9.689 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.822 3.197 8.020 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.553 2.242 8.750 1.00 0.00 C ATOM 0 H PHE B 26 -1.286 4.750 10.420 1.00 0.00 H new ATOM 0 HA PHE B 26 -0.041 2.308 11.458 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.128 3.364 8.687 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.207 1.715 9.277 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -2.014 0.937 10.623 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -1.876 4.060 7.657 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -4.456 0.693 10.251 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.325 3.829 7.303 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.616 2.136 8.590 1.00 0.00 H new ATOM 1076 N GLY B 27 1.747 4.864 10.294 1.00 0.00 N ATOM 1077 CA GLY B 27 3.034 5.544 10.340 1.00 0.00 C ATOM 1078 C GLY B 27 3.563 5.661 8.921 1.00 0.00 C ATOM 1079 O GLY B 27 3.172 6.568 8.192 1.00 0.00 O ATOM 0 H GLY B 27 1.085 5.309 9.659 1.00 0.00 H new ATOM 0 HA2 GLY B 27 2.926 6.532 10.787 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.735 4.988 10.962 1.00 0.00 H new ATOM 1083 N THR B 28 4.457 4.784 8.484 1.00 0.00 N ATOM 1084 CA THR B 28 4.987 4.825 7.128 1.00 0.00 C ATOM 1085 C THR B 28 5.353 3.408 6.734 1.00 0.00 C ATOM 1086 O THR B 28 5.943 2.654 7.511 1.00 0.00 O ATOM 1087 CB THR B 28 6.177 5.792 7.016 1.00 0.00 C ATOM 1088 OG1 THR B 28 5.722 7.120 7.201 1.00 0.00 O ATOM 1089 CG2 THR B 28 6.868 5.724 5.644 1.00 0.00 C ATOM 0 H THR B 28 4.833 4.028 9.056 1.00 0.00 H new ATOM 0 HA THR B 28 4.236 5.210 6.438 1.00 0.00 H new ATOM 0 HB THR B 28 6.895 5.498 7.782 1.00 0.00 H new ATOM 0 HG1 THR B 28 4.774 7.109 7.448 1.00 0.00 H new ATOM 0 HG21 THR B 28 7.701 6.427 5.621 1.00 0.00 H new ATOM 0 HG22 THR B 28 7.241 4.714 5.474 1.00 0.00 H new ATOM 0 HG23 THR B 28 6.153 5.983 4.863 1.00 0.00 H new ATOM 1097 N TYR B 29 4.995 3.043 5.512 1.00 0.00 N ATOM 1098 CA TYR B 29 5.271 1.726 4.970 1.00 0.00 C ATOM 1099 C TYR B 29 5.430 1.816 3.463 1.00 0.00 C ATOM 1100 O TYR B 29 5.285 2.879 2.864 1.00 0.00 O ATOM 1101 CB TYR B 29 4.163 0.757 5.394 1.00 0.00 C ATOM 1102 CG TYR B 29 2.762 1.203 5.041 1.00 0.00 C ATOM 1103 CD1 TYR B 29 2.071 2.048 5.928 1.00 0.00 C ATOM 1104 CD2 TYR B 29 2.149 0.770 3.849 1.00 0.00 C ATOM 1105 CE1 TYR B 29 0.758 2.443 5.648 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.822 1.141 3.574 1.00 0.00 C ATOM 1107 CZ TYR B 29 0.123 1.963 4.487 1.00 0.00 C ATOM 1108 OH TYR B 29 -1.193 2.227 4.316 1.00 0.00 O ATOM 0 H TYR B 29 4.501 3.659 4.866 1.00 0.00 H new ATOM 0 HA TYR B 29 6.209 1.338 5.367 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.349 -0.211 4.929 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.221 0.610 6.472 1.00 0.00 H new ATOM 0 HD1 TYR B 29 2.556 2.394 6.829 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.697 0.156 3.150 1.00 0.00 H new ATOM 0 HE1 TYR B 29 0.236 3.111 6.317 1.00 0.00 H new ATOM 0 HE2 TYR B 29 0.339 0.800 2.670 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.498 1.836 3.471 1.00 0.00 H new ATOM 1118 N TYR B 30 5.726 0.683 2.842 1.00 0.00 N ATOM 1119 CA TYR B 30 5.924 0.587 1.414 1.00 0.00 C ATOM 1120 C TYR B 30 4.998 -0.471 0.847 1.00 0.00 C ATOM 1121 O TYR B 30 4.643 -1.430 1.541 1.00 0.00 O ATOM 1122 CB TYR B 30 7.383 0.225 1.165 1.00 0.00 C ATOM 1123 CG TYR B 30 8.359 1.275 1.644 1.00 0.00 C ATOM 1124 CD1 TYR B 30 8.723 2.315 0.773 1.00 0.00 C ATOM 1125 CD2 TYR B 30 8.835 1.259 2.970 1.00 0.00 C ATOM 1126 CE1 TYR B 30 9.542 3.358 1.233 1.00 0.00 C ATOM 1127 CE2 TYR B 30 9.625 2.320 3.444 1.00 0.00 C ATOM 1128 CZ TYR B 30 9.962 3.388 2.579 1.00 0.00 C ATOM 1129 OH TYR B 30 10.713 4.441 3.001 1.00 0.00 O ATOM 0 H TYR B 30 5.836 -0.206 3.330 1.00 0.00 H new ATOM 0 HA TYR B 30 5.696 1.533 0.923 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.604 -0.719 1.664 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.531 0.064 0.097 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.373 2.312 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR B 30 8.593 0.432 3.621 1.00 0.00 H new ATOM 0 HE1 TYR B 30 9.851 4.139 0.555 1.00 0.00 H new ATOM 0 HE2 TYR B 30 9.974 2.320 4.466 1.00 0.00 H new ATOM 0 HH TYR B 30 10.929 4.329 3.950 1.00 0.00 H new ATOM 1139 N VAL B 31 4.642 -0.308 -0.422 1.00 0.00 N ATOM 1140 CA VAL B 31 3.772 -1.226 -1.148 1.00 0.00 C ATOM 1141 C VAL B 31 4.538 -1.708 -2.371 1.00 0.00 C ATOM 1142 O VAL B 31 5.245 -0.923 -3.000 1.00 0.00 O ATOM 1143 CB VAL B 31 2.441 -0.550 -1.520 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.503 -1.527 -2.250 1.00 0.00 C ATOM 1145 CG2 VAL B 31 1.711 -0.021 -0.275 1.00 0.00 C ATOM 0 H VAL B 31 4.956 0.482 -0.986 1.00 0.00 H new ATOM 0 HA VAL B 31 3.505 -2.080 -0.526 1.00 0.00 H new ATOM 0 HB VAL B 31 2.691 0.282 -2.178 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.571 -1.019 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.982 -1.876 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.290 -2.379 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.775 0.450 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.500 -0.849 0.402 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.340 0.711 0.232 1.00 0.00 H new ATOM 1155 N ASP B 32 4.407 -3.001 -2.662 1.00 0.00 N ATOM 1156 CA ASP B 32 5.030 -3.693 -3.774 1.00 0.00 C ATOM 1157 C ASP B 32 3.994 -3.830 -4.872 1.00 0.00 C ATOM 1158 O ASP B 32 3.076 -4.642 -4.744 1.00 0.00 O ATOM 1159 CB ASP B 32 5.486 -5.087 -3.337 1.00 0.00 C ATOM 1160 CG ASP B 32 6.299 -5.800 -4.409 1.00 0.00 C ATOM 1161 OD1 ASP B 32 6.697 -5.176 -5.417 1.00 0.00 O ATOM 1162 OD2 ASP B 32 6.574 -7.002 -4.218 1.00 0.00 O ATOM 0 H ASP B 32 3.831 -3.622 -2.094 1.00 0.00 H new ATOM 0 HA ASP B 32 5.898 -3.135 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.084 -5.002 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.612 -5.689 -3.088 1.00 0.00 H new ATOM 1167 N HIS B 33 4.082 -3.043 -5.940 1.00 0.00 N ATOM 1168 CA HIS B 33 3.104 -3.134 -7.021 1.00 0.00 C ATOM 1169 C HIS B 33 3.189 -4.463 -7.773 1.00 0.00 C ATOM 1170 O HIS B 33 2.172 -4.935 -8.279 1.00 0.00 O ATOM 1171 CB HIS B 33 3.249 -1.971 -8.013 1.00 0.00 C ATOM 1172 CG HIS B 33 2.018 -1.105 -8.044 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.868 -1.379 -8.784 1.00 0.00 N ATOM 1174 CD2 HIS B 33 1.839 0.062 -7.366 1.00 0.00 C ATOM 1175 CE1 HIS B 33 0.036 -0.351 -8.566 1.00 0.00 C ATOM 1176 NE2 HIS B 33 0.580 0.507 -7.686 1.00 0.00 N ATOM 0 H HIS B 33 4.811 -2.343 -6.081 1.00 0.00 H new ATOM 0 HA HIS B 33 2.125 -3.075 -6.546 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.113 -1.365 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.441 -2.366 -9.011 1.00 0.00 H new ATOM 0 HD2 HIS B 33 2.547 0.543 -6.707 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -0.932 -0.230 -9.030 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.133 1.347 -7.318 1.00 0.00 H new ATOM 1184 N THR B 34 4.364 -5.087 -7.804 1.00 0.00 N ATOM 1185 CA THR B 34 4.641 -6.336 -8.493 1.00 0.00 C ATOM 1186 C THR B 34 3.841 -7.497 -7.897 1.00 0.00 C ATOM 1187 O THR B 34 3.278 -8.313 -8.635 1.00 0.00 O ATOM 1188 CB THR B 34 6.172 -6.545 -8.406 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.819 -5.448 -9.040 1.00 0.00 O ATOM 1190 CG2 THR B 34 6.708 -7.839 -9.021 1.00 0.00 C ATOM 0 H THR B 34 5.184 -4.715 -7.326 1.00 0.00 H new ATOM 0 HA THR B 34 4.328 -6.297 -9.536 1.00 0.00 H new ATOM 0 HB THR B 34 6.389 -6.616 -7.340 1.00 0.00 H new ATOM 0 HG1 THR B 34 7.790 -5.568 -8.990 1.00 0.00 H new ATOM 0 HG21 THR B 34 7.791 -7.877 -8.902 1.00 0.00 H new ATOM 0 HG22 THR B 34 6.257 -8.695 -8.519 1.00 0.00 H new ATOM 0 HG23 THR B 34 6.459 -7.868 -10.082 1.00 0.00 H new ATOM 1198 N ASN B 35 3.703 -7.533 -6.570 1.00 0.00 N ATOM 1199 CA ASN B 35 3.009 -8.606 -5.856 1.00 0.00 C ATOM 1200 C ASN B 35 1.788 -8.157 -5.061 1.00 0.00 C ATOM 1201 O ASN B 35 1.093 -9.004 -4.495 1.00 0.00 O ATOM 1202 CB ASN B 35 4.036 -9.239 -4.912 1.00 0.00 C ATOM 1203 CG ASN B 35 5.146 -9.916 -5.701 1.00 0.00 C ATOM 1204 OD1 ASN B 35 4.900 -10.929 -6.348 1.00 0.00 O ATOM 1205 ND2 ASN B 35 6.335 -9.343 -5.732 1.00 0.00 N ATOM 0 H ASN B 35 4.074 -6.810 -5.954 1.00 0.00 H new ATOM 0 HA ASN B 35 2.618 -9.305 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.460 -8.474 -4.262 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.544 -9.968 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.079 -9.742 -6.305 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.510 -8.501 -5.183 1.00 0.00 H new ATOM 1212 N LYS B 36 1.489 -6.856 -5.067 1.00 0.00 N ATOM 1213 CA LYS B 36 0.385 -6.247 -4.332 1.00 0.00 C ATOM 1214 C LYS B 36 0.429 -6.633 -2.858 1.00 0.00 C ATOM 1215 O LYS B 36 -0.550 -7.098 -2.276 1.00 0.00 O ATOM 1216 CB LYS B 36 -0.972 -6.485 -5.014 1.00 0.00 C ATOM 1217 CG LYS B 36 -1.212 -5.697 -6.309 1.00 0.00 C ATOM 1218 CD LYS B 36 -0.765 -4.237 -6.298 1.00 0.00 C ATOM 1219 CE LYS B 36 -1.086 -3.540 -7.610 1.00 0.00 C ATOM 1220 NZ LYS B 36 -0.433 -4.114 -8.805 1.00 0.00 N ATOM 0 H LYS B 36 2.029 -6.177 -5.603 1.00 0.00 H new ATOM 0 HA LYS B 36 0.513 -5.165 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -1.066 -7.548 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.763 -6.235 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -0.696 -6.208 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -2.277 -5.728 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -1.256 -3.713 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS B 36 0.308 -4.186 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -2.165 -3.562 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -0.797 -2.492 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -0.630 -3.513 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 0.594 -4.162 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -0.803 -5.071 -8.977 1.00 0.00 H new ATOM 1234 N ARG B 37 1.600 -6.450 -2.249 1.00 0.00 N ATOM 1235 CA ARG B 37 1.842 -6.735 -0.839 1.00 0.00 C ATOM 1236 C ARG B 37 2.399 -5.470 -0.202 1.00 0.00 C ATOM 1237 O ARG B 37 2.784 -4.542 -0.917 1.00 0.00 O ATOM 1238 CB ARG B 37 2.732 -7.973 -0.650 1.00 0.00 C ATOM 1239 CG ARG B 37 2.132 -9.215 -1.328 1.00 0.00 C ATOM 1240 CD ARG B 37 2.588 -10.540 -0.720 1.00 0.00 C ATOM 1241 NE ARG B 37 4.027 -10.780 -0.908 1.00 0.00 N ATOM 1242 CZ ARG B 37 4.846 -11.357 -0.027 1.00 0.00 C ATOM 1243 NH1 ARG B 37 4.433 -11.727 1.177 1.00 0.00 N ATOM 1244 NH2 ARG B 37 6.103 -11.573 -0.349 1.00 0.00 N ATOM 0 H ARG B 37 2.423 -6.092 -2.734 1.00 0.00 H new ATOM 0 HA ARG B 37 0.913 -6.998 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG B 37 3.722 -7.776 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG B 37 2.863 -8.167 0.414 1.00 0.00 H new ATOM 0 HG2 ARG B 37 1.045 -9.157 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.397 -9.202 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG B 37 2.358 -10.545 0.345 1.00 0.00 H new ATOM 0 HD3 ARG B 37 2.025 -11.356 -1.172 1.00 0.00 H new ATOM 0 HE ARG B 37 4.436 -10.478 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG B 37 3.463 -11.573 1.453 1.00 0.00 H new ATOM 0 HH12 ARG B 37 5.085 -12.166 1.827 1.00 0.00 H new ATOM 0 HH21 ARG B 37 6.448 -11.300 -1.269 1.00 0.00 H new ATOM 0 HH22 ARG B 37 6.733 -12.014 0.321 1.00 0.00 H new ATOM 1258 N ALA B 38 2.404 -5.396 1.124 1.00 0.00 N ATOM 1259 CA ALA B 38 2.895 -4.245 1.867 1.00 0.00 C ATOM 1260 C ALA B 38 4.012 -4.696 2.807 1.00 0.00 C ATOM 1261 O ALA B 38 3.986 -5.843 3.258 1.00 0.00 O ATOM 1262 CB ALA B 38 1.713 -3.621 2.624 1.00 0.00 C ATOM 0 H ALA B 38 2.061 -6.148 1.722 1.00 0.00 H new ATOM 0 HA ALA B 38 3.313 -3.489 1.202 1.00 0.00 H new ATOM 0 HB1 ALA B 38 2.059 -2.755 3.189 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.949 -3.308 1.912 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.291 -4.356 3.309 1.00 0.00 H new ATOM 1268 N GLN B 39 4.972 -3.828 3.146 1.00 0.00 N ATOM 1269 CA GLN B 39 6.073 -4.154 4.058 1.00 0.00 C ATOM 1270 C GLN B 39 6.484 -2.942 4.892 1.00 0.00 C ATOM 1271 O GLN B 39 6.369 -1.794 4.460 1.00 0.00 O ATOM 1272 CB GLN B 39 7.289 -4.770 3.342 1.00 0.00 C ATOM 1273 CG GLN B 39 7.826 -4.021 2.117 1.00 0.00 C ATOM 1274 CD GLN B 39 9.092 -4.714 1.606 1.00 0.00 C ATOM 1275 OE1 GLN B 39 9.046 -5.715 0.896 1.00 0.00 O ATOM 1276 NE2 GLN B 39 10.260 -4.230 1.975 1.00 0.00 N ATOM 0 H GLN B 39 5.006 -2.872 2.792 1.00 0.00 H new ATOM 0 HA GLN B 39 5.690 -4.920 4.732 1.00 0.00 H new ATOM 0 HB2 GLN B 39 8.099 -4.861 4.066 1.00 0.00 H new ATOM 0 HB3 GLN B 39 7.024 -5.781 3.032 1.00 0.00 H new ATOM 0 HG2 GLN B 39 7.070 -3.998 1.332 1.00 0.00 H new ATOM 0 HG3 GLN B 39 8.046 -2.986 2.379 1.00 0.00 H new ATOM 0 HE21 GLN B 39 10.304 -3.399 2.565 1.00 0.00 H new ATOM 0 HE22 GLN B 39 11.120 -4.686 1.671 1.00 0.00 H new ATOM 1285 N TYR B 40 7.015 -3.228 6.084 1.00 0.00 N ATOM 1286 CA TYR B 40 7.473 -2.250 7.068 1.00 0.00 C ATOM 1287 C TYR B 40 8.984 -1.970 6.966 1.00 0.00 C ATOM 1288 O TYR B 40 9.646 -1.733 7.981 1.00 0.00 O ATOM 1289 CB TYR B 40 7.050 -2.707 8.479 1.00 0.00 C ATOM 1290 CG TYR B 40 5.558 -2.892 8.725 1.00 0.00 C ATOM 1291 CD1 TYR B 40 4.626 -1.945 8.259 1.00 0.00 C ATOM 1292 CD2 TYR B 40 5.102 -3.975 9.503 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.260 -2.079 8.557 1.00 0.00 C ATOM 1294 CE2 TYR B 40 3.735 -4.102 9.818 1.00 0.00 C ATOM 1295 CZ TYR B 40 2.806 -3.150 9.350 1.00 0.00 C ATOM 1296 OH TYR B 40 1.479 -3.289 9.605 1.00 0.00 O ATOM 0 H TYR B 40 7.142 -4.189 6.401 1.00 0.00 H new ATOM 0 HA TYR B 40 6.994 -1.295 6.855 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.549 -3.652 8.693 1.00 0.00 H new ATOM 0 HB3 TYR B 40 7.425 -1.979 9.198 1.00 0.00 H new ATOM 0 HD1 TYR B 40 4.965 -1.108 7.667 1.00 0.00 H new ATOM 0 HD2 TYR B 40 5.805 -4.713 9.860 1.00 0.00 H new ATOM 0 HE1 TYR B 40 2.554 -1.356 8.176 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.397 -4.932 10.421 1.00 0.00 H new ATOM 0 HH TYR B 40 1.335 -4.080 10.166 1.00 0.00 H new ATOM 1306 N ARG B 41 9.597 -2.153 5.792 1.00 0.00 N ATOM 1307 CA ARG B 41 11.026 -1.880 5.578 1.00 0.00 C ATOM 1308 C ARG B 41 11.247 -1.512 4.119 1.00 0.00 C ATOM 1309 O ARG B 41 10.330 -1.702 3.323 1.00 0.00 O ATOM 1310 CB ARG B 41 11.945 -3.023 6.045 1.00 0.00 C ATOM 1311 CG ARG B 41 11.628 -4.446 5.561 1.00 0.00 C ATOM 1312 CD ARG B 41 10.566 -5.158 6.410 1.00 0.00 C ATOM 1313 NE ARG B 41 10.786 -6.610 6.432 1.00 0.00 N ATOM 1314 CZ ARG B 41 10.396 -7.480 7.369 1.00 0.00 C ATOM 1315 NH1 ARG B 41 9.684 -7.096 8.426 1.00 0.00 N ATOM 1316 NH2 ARG B 41 10.743 -8.750 7.228 1.00 0.00 N ATOM 0 H ARG B 41 9.117 -2.495 4.960 1.00 0.00 H new ATOM 0 HA ARG B 41 11.308 -1.035 6.206 1.00 0.00 H new ATOM 0 HB2 ARG B 41 12.961 -2.783 5.733 1.00 0.00 H new ATOM 0 HB3 ARG B 41 11.940 -3.032 7.135 1.00 0.00 H new ATOM 0 HG2 ARG B 41 11.286 -4.402 4.527 1.00 0.00 H new ATOM 0 HG3 ARG B 41 12.544 -5.037 5.569 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.590 -4.769 7.428 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.575 -4.944 6.011 1.00 0.00 H new ATOM 0 HE ARG B 41 11.296 -7.000 5.640 1.00 0.00 H new ATOM 0 HH11 ARG B 41 9.423 -6.116 8.536 1.00 0.00 H new ATOM 0 HH12 ARG B 41 9.400 -7.781 9.126 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.294 -9.042 6.420 1.00 0.00 H new ATOM 0 HH22 ARG B 41 10.460 -9.437 7.927 1.00 0.00 H new ATOM 1330 N HIS B 42 12.421 -0.984 3.765 1.00 0.00 N ATOM 1331 CA HIS B 42 12.744 -0.585 2.389 1.00 0.00 C ATOM 1332 C HIS B 42 12.826 -1.825 1.483 1.00 0.00 C ATOM 1333 O HIS B 42 13.155 -2.905 1.986 1.00 0.00 O ATOM 1334 CB HIS B 42 14.074 0.202 2.374 1.00 0.00 C ATOM 1335 CG HIS B 42 14.042 1.440 1.509 1.00 0.00 C ATOM 1336 ND1 HIS B 42 14.916 1.746 0.462 1.00 0.00 N ATOM 1337 CD2 HIS B 42 13.173 2.475 1.675 1.00 0.00 C ATOM 1338 CE1 HIS B 42 14.548 2.968 0.036 1.00 0.00 C ATOM 1339 NE2 HIS B 42 13.495 3.421 0.733 1.00 0.00 N ATOM 0 H HIS B 42 13.180 -0.820 4.427 1.00 0.00 H new ATOM 0 HA HIS B 42 11.955 0.062 2.005 1.00 0.00 H new ATOM 0 HB2 HIS B 42 14.326 0.490 3.395 1.00 0.00 H new ATOM 0 HB3 HIS B 42 14.870 -0.455 2.022 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.382 2.540 2.407 1.00 0.00 H new ATOM 0 HE1 HIS B 42 15.035 3.511 -0.760 1.00 0.00 H new ATOM 0 HE2 HIS B 42 13.018 4.311 0.589 1.00 0.00 H new ATOM 1347 N PRO B 43 12.607 -1.720 0.159 1.00 0.00 N ATOM 1348 CA PRO B 43 12.667 -2.854 -0.766 1.00 0.00 C ATOM 1349 C PRO B 43 14.110 -3.105 -1.219 1.00 0.00 C ATOM 1350 O PRO B 43 14.390 -3.286 -2.409 1.00 0.00 O ATOM 1351 CB PRO B 43 11.738 -2.457 -1.913 1.00 0.00 C ATOM 1352 CG PRO B 43 11.852 -0.941 -1.985 1.00 0.00 C ATOM 1353 CD PRO B 43 12.214 -0.514 -0.560 1.00 0.00 C ATOM 0 HA PRO B 43 12.351 -3.796 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.042 -2.923 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO B 43 10.712 -2.770 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO B 43 12.618 -0.634 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO B 43 10.915 -0.488 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO B 43 13.027 0.212 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO B 43 11.365 -0.034 -0.074 1.00 0.00 H new ATOM 1361 N SER B 44 15.047 -3.024 -0.281 1.00 0.00 N ATOM 1362 CA SER B 44 16.459 -3.206 -0.519 1.00 0.00 C ATOM 1363 C SER B 44 16.782 -4.682 -0.760 1.00 0.00 C ATOM 1364 O SER B 44 16.518 -5.527 0.101 1.00 0.00 O ATOM 1365 CB SER B 44 17.191 -2.605 0.681 1.00 0.00 C ATOM 1366 OG SER B 44 18.559 -2.363 0.429 1.00 0.00 O ATOM 0 H SER B 44 14.829 -2.823 0.695 1.00 0.00 H new ATOM 0 HA SER B 44 16.789 -2.697 -1.425 1.00 0.00 H new ATOM 0 HB2 SER B 44 16.708 -1.669 0.963 1.00 0.00 H new ATOM 0 HB3 SER B 44 17.098 -3.280 1.532 1.00 0.00 H new ATOM 0 HG SER B 44 18.976 -1.978 1.228 1.00 0.00 H new ATOM 1372 N GLY B 45 17.376 -4.971 -1.920 1.00 0.00 N ATOM 1373 CA GLY B 45 17.765 -6.301 -2.356 1.00 0.00 C ATOM 1374 C GLY B 45 16.554 -7.190 -2.654 1.00 0.00 C ATOM 1375 O GLY B 45 15.411 -6.805 -2.372 1.00 0.00 O ATOM 0 H GLY B 45 17.606 -4.251 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY B 45 18.384 -6.222 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY B 45 18.377 -6.770 -1.585 1.00 0.00 H new ATOM 1379 N PRO B 46 16.773 -8.365 -3.267 1.00 0.00 N ATOM 1380 CA PRO B 46 15.686 -9.278 -3.567 1.00 0.00 C ATOM 1381 C PRO B 46 15.101 -9.764 -2.239 1.00 0.00 C ATOM 1382 O PRO B 46 15.815 -9.963 -1.248 1.00 0.00 O ATOM 1383 CB PRO B 46 16.290 -10.397 -4.415 1.00 0.00 C ATOM 1384 CG PRO B 46 17.759 -10.400 -4.001 1.00 0.00 C ATOM 1385 CD PRO B 46 18.051 -8.937 -3.660 1.00 0.00 C ATOM 0 HA PRO B 46 14.867 -8.826 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO B 46 15.814 -11.356 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO B 46 16.173 -10.201 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO B 46 17.931 -11.051 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO B 46 18.400 -10.758 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO B 46 18.780 -8.860 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO B 46 18.469 -8.410 -4.518 1.00 0.00 H new ATOM 1393 N SER B 47 13.785 -9.909 -2.220 1.00 0.00 N ATOM 1394 CA SER B 47 13.012 -10.346 -1.076 1.00 0.00 C ATOM 1395 C SER B 47 13.332 -11.802 -0.729 1.00 0.00 C ATOM 1396 O SER B 47 12.868 -12.723 -1.406 1.00 0.00 O ATOM 1397 CB SER B 47 11.523 -10.100 -1.350 1.00 0.00 C ATOM 1398 OG SER B 47 11.206 -10.008 -2.740 1.00 0.00 O ATOM 0 H SER B 47 13.206 -9.716 -3.037 1.00 0.00 H new ATOM 0 HA SER B 47 13.283 -9.765 -0.195 1.00 0.00 H new ATOM 0 HB2 SER B 47 10.942 -10.908 -0.906 1.00 0.00 H new ATOM 0 HB3 SER B 47 11.218 -9.178 -0.854 1.00 0.00 H new ATOM 0 HG SER B 47 10.244 -9.853 -2.847 1.00 0.00 H new ATOM 1404 N SER B 48 14.119 -12.000 0.331 1.00 0.00 N ATOM 1405 CA SER B 48 14.541 -13.300 0.823 1.00 0.00 C ATOM 1406 C SER B 48 13.361 -14.208 1.200 1.00 0.00 C ATOM 1407 O SER B 48 13.541 -15.418 1.312 1.00 0.00 O ATOM 1408 CB SER B 48 15.483 -13.082 2.012 1.00 0.00 C ATOM 1409 OG SER B 48 16.336 -14.191 2.181 1.00 0.00 O ATOM 0 H SER B 48 14.489 -11.228 0.885 1.00 0.00 H new ATOM 0 HA SER B 48 15.062 -13.824 0.022 1.00 0.00 H new ATOM 0 HB2 SER B 48 16.076 -12.182 1.852 1.00 0.00 H new ATOM 0 HB3 SER B 48 14.901 -12.923 2.920 1.00 0.00 H new ATOM 0 HG SER B 48 16.931 -14.033 2.944 1.00 0.00 H new ATOM 1415 N GLY B 49 12.155 -13.670 1.374 1.00 0.00 N ATOM 1416 CA GLY B 49 10.967 -14.425 1.717 1.00 0.00 C ATOM 1417 C GLY B 49 10.172 -13.628 2.707 1.00 0.00 C ATOM 1418 O GLY B 49 9.859 -12.450 2.416 1.00 0.00 O ATOM 0 H GLY B 49 11.980 -12.670 1.276 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.373 -14.624 0.825 1.00 0.00 H new ATOM 0 HA3 GLY B 49 11.240 -15.392 2.140 1.00 0.00 H new TER 1422 GLY B 49