USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Set 2.1: A 27 TYR OH : rot 157:sc= 0.903 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.758 K(o=1.7,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 50:sc= 0.901 USER MOD Single : A 5 SER OG : rot 180:sc= 0.129 USER MOD Single : A 6 SER OG : rot 32:sc= 0.979 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0833 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.6) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -158:sc= -0.503 (180deg=-1.92!) USER MOD Single : A 34 ASN : amide:sc= -0.317 K(o=-0.32,f=-0.83) USER MOD Single : A 38 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.14) USER MOD Single : A 40 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.4!) USER MOD Single : A 42 MET CE :methyl -122:sc= -1.45 (180deg=-4.91!) USER MOD Single : A 47 MET CE :methyl -155:sc= -1.23 (180deg=-3.05) USER MOD Single : A 50 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.45) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -91:sc= 0.619 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.691 7.089 -9.388 1.00 0.00 N ATOM 2 CA GLY A 1 14.269 7.103 -9.676 1.00 0.00 C ATOM 3 C GLY A 1 13.660 5.715 -9.657 1.00 0.00 C ATOM 4 O GLY A 1 14.146 4.826 -8.957 1.00 0.00 O ATOM 0 H1 GLY A 1 15.907 7.811 -8.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.963 6.152 -9.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.223 7.294 -10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.759 7.730 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.104 7.556 -10.654 1.00 0.00 H new ATOM 8 N SER A 2 12.592 5.528 -10.426 1.00 0.00 N ATOM 9 CA SER A 2 11.913 4.239 -10.490 1.00 0.00 C ATOM 10 C SER A 2 11.432 3.949 -11.909 1.00 0.00 C ATOM 11 O SER A 2 11.229 4.863 -12.707 1.00 0.00 O ATOM 12 CB SER A 2 10.728 4.215 -9.523 1.00 0.00 C ATOM 13 OG SER A 2 10.193 2.908 -9.404 1.00 0.00 O ATOM 0 H SER A 2 12.178 6.252 -11.013 1.00 0.00 H new ATOM 0 HA SER A 2 12.625 3.466 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.047 4.571 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.954 4.898 -9.874 1.00 0.00 H new ATOM 0 HG SER A 2 9.438 2.919 -8.779 1.00 0.00 H new ATOM 19 N SER A 3 11.251 2.668 -12.215 1.00 0.00 N ATOM 20 CA SER A 3 10.797 2.255 -13.538 1.00 0.00 C ATOM 21 C SER A 3 10.518 0.755 -13.572 1.00 0.00 C ATOM 22 O SER A 3 9.368 0.328 -13.656 1.00 0.00 O ATOM 23 CB SER A 3 11.844 2.615 -14.594 1.00 0.00 C ATOM 24 OG SER A 3 11.527 3.842 -15.227 1.00 0.00 O ATOM 0 H SER A 3 11.412 1.899 -11.565 1.00 0.00 H new ATOM 0 HA SER A 3 9.870 2.784 -13.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.827 2.686 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.901 1.822 -15.339 1.00 0.00 H new ATOM 0 HG SER A 3 11.338 4.522 -14.547 1.00 0.00 H new ATOM 30 N GLY A 4 11.582 -0.040 -13.508 1.00 0.00 N ATOM 31 CA GLY A 4 11.432 -1.483 -13.533 1.00 0.00 C ATOM 32 C GLY A 4 12.411 -2.151 -14.478 1.00 0.00 C ATOM 33 O GLY A 4 13.607 -1.861 -14.450 1.00 0.00 O ATOM 0 H GLY A 4 12.545 0.290 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.576 -1.878 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.414 -1.734 -13.832 1.00 0.00 H new ATOM 37 N SER A 5 11.905 -3.051 -15.315 1.00 0.00 N ATOM 38 CA SER A 5 12.744 -3.766 -16.268 1.00 0.00 C ATOM 39 C SER A 5 13.072 -2.887 -17.471 1.00 0.00 C ATOM 40 O SER A 5 12.391 -1.895 -17.733 1.00 0.00 O ATOM 41 CB SER A 5 12.048 -5.047 -16.733 1.00 0.00 C ATOM 42 OG SER A 5 10.660 -5.003 -16.451 1.00 0.00 O ATOM 0 H SER A 5 10.917 -3.302 -15.352 1.00 0.00 H new ATOM 0 HA SER A 5 13.676 -4.028 -15.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.201 -5.180 -17.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.496 -5.909 -16.238 1.00 0.00 H new ATOM 0 HG SER A 5 10.237 -5.832 -16.759 1.00 0.00 H new ATOM 48 N SER A 6 14.120 -3.257 -18.200 1.00 0.00 N ATOM 49 CA SER A 6 14.541 -2.501 -19.373 1.00 0.00 C ATOM 50 C SER A 6 14.960 -3.438 -20.502 1.00 0.00 C ATOM 51 O SER A 6 16.011 -4.074 -20.438 1.00 0.00 O ATOM 52 CB SER A 6 15.698 -1.566 -19.015 1.00 0.00 C ATOM 53 OG SER A 6 16.857 -2.301 -18.661 1.00 0.00 O ATOM 0 H SER A 6 14.693 -4.076 -17.999 1.00 0.00 H new ATOM 0 HA SER A 6 13.694 -1.906 -19.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.920 -0.916 -19.862 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.405 -0.921 -18.186 1.00 0.00 H new ATOM 0 HG SER A 6 16.881 -3.139 -19.169 1.00 0.00 H new ATOM 59 N GLY A 7 14.129 -3.517 -21.537 1.00 0.00 N ATOM 60 CA GLY A 7 14.429 -4.378 -22.666 1.00 0.00 C ATOM 61 C GLY A 7 13.379 -4.292 -23.756 1.00 0.00 C ATOM 62 O GLY A 7 13.589 -3.679 -24.803 1.00 0.00 O ATOM 0 H GLY A 7 13.253 -3.000 -21.614 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.400 -4.105 -23.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.507 -5.409 -22.322 1.00 0.00 H new ATOM 66 N PRO A 8 12.218 -4.919 -23.515 1.00 0.00 N ATOM 67 CA PRO A 8 11.109 -4.927 -24.473 1.00 0.00 C ATOM 68 C PRO A 8 10.453 -3.557 -24.612 1.00 0.00 C ATOM 69 O PRO A 8 10.937 -2.569 -24.060 1.00 0.00 O ATOM 70 CB PRO A 8 10.126 -5.932 -23.870 1.00 0.00 C ATOM 71 CG PRO A 8 10.422 -5.922 -22.410 1.00 0.00 C ATOM 72 CD PRO A 8 11.899 -5.669 -22.289 1.00 0.00 C ATOM 0 HA PRO A 8 11.441 -5.186 -25.478 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.094 -5.643 -24.067 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.265 -6.926 -24.295 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.850 -5.146 -21.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.150 -6.872 -21.950 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.136 -5.095 -21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.463 -6.600 -22.229 1.00 0.00 H new ATOM 80 N ARG A 9 9.350 -3.507 -25.351 1.00 0.00 N ATOM 81 CA ARG A 9 8.628 -2.257 -25.562 1.00 0.00 C ATOM 82 C ARG A 9 7.255 -2.304 -24.897 1.00 0.00 C ATOM 83 O ARG A 9 6.382 -3.070 -25.307 1.00 0.00 O ATOM 84 CB ARG A 9 8.474 -1.979 -27.058 1.00 0.00 C ATOM 85 CG ARG A 9 8.382 -0.500 -27.396 1.00 0.00 C ATOM 86 CD ARG A 9 9.534 -0.060 -28.287 1.00 0.00 C ATOM 87 NE ARG A 9 9.155 -0.030 -29.697 1.00 0.00 N ATOM 88 CZ ARG A 9 8.354 0.890 -30.223 1.00 0.00 C ATOM 89 NH1 ARG A 9 7.851 1.850 -29.459 1.00 0.00 N ATOM 90 NH2 ARG A 9 8.055 0.851 -31.515 1.00 0.00 N ATOM 0 H ARG A 9 8.936 -4.317 -25.814 1.00 0.00 H new ATOM 0 HA ARG A 9 9.205 -1.451 -25.108 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.322 -2.412 -27.589 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.579 -2.483 -27.422 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.435 -0.298 -27.897 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.387 0.086 -26.477 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.871 0.930 -27.981 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.376 -0.739 -28.152 1.00 0.00 H new ATOM 0 HE ARG A 9 9.526 -0.755 -30.311 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.079 1.883 -28.465 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.236 2.555 -29.865 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.440 0.114 -32.106 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.440 1.558 -31.918 1.00 0.00 H new ATOM 104 N CYS A 10 7.072 -1.481 -23.871 1.00 0.00 N ATOM 105 CA CYS A 10 5.806 -1.429 -23.149 1.00 0.00 C ATOM 106 C CYS A 10 4.657 -1.082 -24.090 1.00 0.00 C ATOM 107 O CYS A 10 4.856 -0.550 -25.182 1.00 0.00 O ATOM 108 CB CYS A 10 5.882 -0.402 -22.018 1.00 0.00 C ATOM 109 SG CYS A 10 6.224 -1.118 -20.393 1.00 0.00 S ATOM 0 H CYS A 10 7.784 -0.841 -23.520 1.00 0.00 H new ATOM 0 HA CYS A 10 5.618 -2.415 -22.723 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.659 0.325 -22.254 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.939 0.143 -21.972 1.00 0.00 H new ATOM 0 HG CYS A 10 6.271 -0.172 -19.503 1.00 0.00 H new ATOM 115 N PRO A 11 3.425 -1.393 -23.660 1.00 0.00 N ATOM 116 CA PRO A 11 2.220 -1.124 -24.450 1.00 0.00 C ATOM 117 C PRO A 11 1.915 0.366 -24.553 1.00 0.00 C ATOM 118 O PRO A 11 1.538 1.003 -23.569 1.00 0.00 O ATOM 119 CB PRO A 11 1.117 -1.843 -23.669 1.00 0.00 C ATOM 120 CG PRO A 11 1.619 -1.900 -22.268 1.00 0.00 C ATOM 121 CD PRO A 11 3.114 -2.029 -22.369 1.00 0.00 C ATOM 0 HA PRO A 11 2.323 -1.464 -25.480 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.173 -1.302 -23.729 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.938 -2.842 -24.066 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.341 -1.002 -21.717 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.189 -2.747 -21.734 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.617 -1.527 -21.542 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.430 -3.072 -22.349 1.00 0.00 H new ATOM 129 N VAL A 12 2.079 0.918 -25.752 1.00 0.00 N ATOM 130 CA VAL A 12 1.819 2.333 -25.984 1.00 0.00 C ATOM 131 C VAL A 12 0.554 2.532 -26.812 1.00 0.00 C ATOM 132 O VAL A 12 0.314 1.808 -27.778 1.00 0.00 O ATOM 133 CB VAL A 12 3.001 3.011 -26.702 1.00 0.00 C ATOM 134 CG1 VAL A 12 3.176 2.437 -28.100 1.00 0.00 C ATOM 135 CG2 VAL A 12 2.799 4.517 -26.756 1.00 0.00 C ATOM 0 H VAL A 12 2.391 0.406 -26.577 1.00 0.00 H new ATOM 0 HA VAL A 12 1.685 2.794 -25.005 1.00 0.00 H new ATOM 0 HB VAL A 12 3.911 2.811 -26.136 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.016 2.928 -28.592 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.370 1.367 -28.032 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.268 2.605 -28.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.644 4.979 -27.267 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.880 4.742 -27.298 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.728 4.911 -25.742 1.00 0.00 H new ATOM 145 N GLN A 13 -0.250 3.517 -26.427 1.00 0.00 N ATOM 146 CA GLN A 13 -1.491 3.810 -27.134 1.00 0.00 C ATOM 147 C GLN A 13 -1.271 4.878 -28.200 1.00 0.00 C ATOM 148 O GLN A 13 -0.270 5.596 -28.178 1.00 0.00 O ATOM 149 CB GLN A 13 -2.568 4.269 -26.150 1.00 0.00 C ATOM 150 CG GLN A 13 -3.871 3.495 -26.269 1.00 0.00 C ATOM 151 CD GLN A 13 -4.589 3.354 -24.941 1.00 0.00 C ATOM 152 OE1 GLN A 13 -4.510 2.315 -24.286 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.296 4.403 -24.536 1.00 0.00 N ATOM 0 H GLN A 13 -0.065 4.126 -25.630 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.824 2.896 -27.625 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.187 4.168 -25.134 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.768 5.328 -26.312 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.525 4.000 -26.980 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.665 2.504 -26.673 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.334 5.245 -25.111 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.801 4.367 -23.650 1.00 0.00 H new ATOM 162 N THR A 14 -2.212 4.979 -29.134 1.00 0.00 N ATOM 163 CA THR A 14 -2.120 5.958 -30.209 1.00 0.00 C ATOM 164 C THR A 14 -3.282 6.943 -30.157 1.00 0.00 C ATOM 165 O THR A 14 -4.290 6.694 -29.496 1.00 0.00 O ATOM 166 CB THR A 14 -2.101 5.276 -31.591 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.399 4.756 -31.897 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.077 4.152 -31.625 1.00 0.00 C ATOM 0 H THR A 14 -3.047 4.394 -29.167 1.00 0.00 H new ATOM 0 HA THR A 14 -1.184 6.497 -30.065 1.00 0.00 H new ATOM 0 HB THR A 14 -1.823 6.021 -32.337 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.380 4.326 -32.777 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.082 3.685 -32.610 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.086 4.556 -31.420 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.329 3.407 -30.870 1.00 0.00 H new ATOM 176 N VAL A 15 -3.136 8.062 -30.859 1.00 0.00 N ATOM 177 CA VAL A 15 -4.175 9.084 -30.894 1.00 0.00 C ATOM 178 C VAL A 15 -5.519 8.488 -31.298 1.00 0.00 C ATOM 179 O VAL A 15 -6.560 8.854 -30.755 1.00 0.00 O ATOM 180 CB VAL A 15 -3.814 10.218 -31.871 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.922 11.260 -31.913 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.488 10.854 -31.483 1.00 0.00 C ATOM 0 H VAL A 15 -2.308 8.284 -31.411 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.251 9.493 -29.886 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.709 9.794 -32.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.649 12.053 -32.609 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.850 10.792 -32.242 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.062 11.682 -30.918 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.249 11.653 -32.184 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.562 11.265 -30.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.701 10.100 -31.510 1.00 0.00 H new ATOM 192 N GLY A 16 -5.487 7.566 -32.256 1.00 0.00 N ATOM 193 CA GLY A 16 -6.709 6.933 -32.717 1.00 0.00 C ATOM 194 C GLY A 16 -7.430 6.190 -31.610 1.00 0.00 C ATOM 195 O GLY A 16 -8.494 6.614 -31.161 1.00 0.00 O ATOM 0 H GLY A 16 -4.637 7.246 -32.721 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.372 7.691 -33.134 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.473 6.238 -33.523 1.00 0.00 H new ATOM 199 N GLN A 17 -6.850 5.077 -31.171 1.00 0.00 N ATOM 200 CA GLN A 17 -7.446 4.272 -30.112 1.00 0.00 C ATOM 201 C GLN A 17 -7.761 5.128 -28.889 1.00 0.00 C ATOM 202 O GLN A 17 -8.701 4.845 -28.147 1.00 0.00 O ATOM 203 CB GLN A 17 -6.508 3.129 -29.721 1.00 0.00 C ATOM 204 CG GLN A 17 -6.119 2.235 -30.887 1.00 0.00 C ATOM 205 CD GLN A 17 -5.228 1.083 -30.467 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.554 -0.083 -30.691 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.094 1.404 -29.855 1.00 0.00 N ATOM 0 H GLN A 17 -5.968 4.713 -31.532 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.379 3.854 -30.490 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.604 3.547 -29.278 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.988 2.522 -28.953 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.021 1.840 -31.354 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.605 2.831 -31.641 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.863 2.384 -29.690 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.454 0.671 -29.550 1.00 0.00 H new ATOM 216 N TRP A 18 -6.969 6.175 -28.687 1.00 0.00 N ATOM 217 CA TRP A 18 -7.164 7.072 -27.553 1.00 0.00 C ATOM 218 C TRP A 18 -8.473 7.841 -27.687 1.00 0.00 C ATOM 219 O TRP A 18 -9.193 8.035 -26.706 1.00 0.00 O ATOM 220 CB TRP A 18 -5.993 8.050 -27.444 1.00 0.00 C ATOM 221 CG TRP A 18 -6.203 9.115 -26.410 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.292 8.939 -25.059 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.352 10.519 -26.646 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.488 10.150 -24.440 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.527 11.135 -25.391 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.352 11.316 -27.793 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.702 12.510 -25.255 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.527 12.680 -27.657 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.699 13.266 -26.395 1.00 0.00 C ATOM 0 H TRP A 18 -6.187 6.424 -29.293 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.210 6.468 -26.647 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.086 7.495 -27.204 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.831 8.522 -28.413 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.219 7.988 -24.552 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.588 10.292 -23.435 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.218 10.874 -28.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.835 12.963 -24.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.531 13.305 -28.538 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.832 14.335 -26.321 1.00 0.00 H new ATOM 240 N LEU A 19 -8.777 8.277 -28.904 1.00 0.00 N ATOM 241 CA LEU A 19 -10.002 9.025 -29.165 1.00 0.00 C ATOM 242 C LEU A 19 -11.226 8.121 -29.059 1.00 0.00 C ATOM 243 O LEU A 19 -12.286 8.548 -28.604 1.00 0.00 O ATOM 244 CB LEU A 19 -9.946 9.665 -30.554 1.00 0.00 C ATOM 245 CG LEU A 19 -9.054 10.900 -30.688 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.513 11.017 -32.104 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.822 12.156 -30.303 1.00 0.00 C ATOM 0 H LEU A 19 -8.192 8.126 -29.726 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.086 9.809 -28.413 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.602 8.914 -31.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.959 9.940 -30.847 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.210 10.791 -30.007 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.881 11.902 -32.180 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.927 10.130 -32.344 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.343 11.103 -32.805 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.172 13.025 -30.404 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.685 12.270 -30.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.160 12.074 -29.270 1.00 0.00 H new ATOM 259 N GLU A 20 -11.070 6.870 -29.480 1.00 0.00 N ATOM 260 CA GLU A 20 -12.162 5.906 -29.431 1.00 0.00 C ATOM 261 C GLU A 20 -12.632 5.689 -27.995 1.00 0.00 C ATOM 262 O GLU A 20 -13.784 5.328 -27.755 1.00 0.00 O ATOM 263 CB GLU A 20 -11.724 4.573 -30.042 1.00 0.00 C ATOM 264 CG GLU A 20 -11.201 4.698 -31.463 1.00 0.00 C ATOM 265 CD GLU A 20 -12.068 3.966 -32.470 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.237 4.366 -32.647 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.575 2.994 -33.080 1.00 0.00 O ATOM 0 H GLU A 20 -10.198 6.501 -29.859 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.993 6.308 -30.011 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.948 4.133 -29.415 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.569 3.884 -30.034 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.146 5.752 -31.735 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.186 4.304 -31.509 1.00 0.00 H new ATOM 274 N SER A 21 -11.731 5.913 -27.044 1.00 0.00 N ATOM 275 CA SER A 21 -12.051 5.739 -25.632 1.00 0.00 C ATOM 276 C SER A 21 -13.009 6.826 -25.153 1.00 0.00 C ATOM 277 O SER A 21 -14.137 6.541 -24.752 1.00 0.00 O ATOM 278 CB SER A 21 -10.773 5.763 -24.791 1.00 0.00 C ATOM 279 OG SER A 21 -11.063 6.028 -23.429 1.00 0.00 O ATOM 0 H SER A 21 -10.774 6.215 -27.226 1.00 0.00 H new ATOM 0 HA SER A 21 -12.539 4.771 -25.512 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.259 4.805 -24.877 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.095 6.524 -25.176 1.00 0.00 H new ATOM 0 HG SER A 21 -10.230 6.036 -22.913 1.00 0.00 H new ATOM 285 N ILE A 22 -12.550 8.072 -25.200 1.00 0.00 N ATOM 286 CA ILE A 22 -13.365 9.202 -24.772 1.00 0.00 C ATOM 287 C ILE A 22 -14.728 9.187 -25.457 1.00 0.00 C ATOM 288 O ILE A 22 -15.724 9.636 -24.891 1.00 0.00 O ATOM 289 CB ILE A 22 -12.669 10.543 -25.070 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.261 10.615 -26.543 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.455 10.721 -24.170 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.598 11.921 -26.923 1.00 0.00 C ATOM 0 H ILE A 22 -11.618 8.324 -25.530 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.500 9.103 -23.695 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.370 11.352 -24.867 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.580 9.793 -26.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.145 10.471 -27.164 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.974 11.673 -24.392 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.771 10.709 -23.127 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.750 9.908 -24.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.336 11.902 -27.981 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.285 12.746 -26.734 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.695 12.057 -26.328 1.00 0.00 H new ATOM 304 N GLY A 23 -14.764 8.665 -26.680 1.00 0.00 N ATOM 305 CA GLY A 23 -16.009 8.599 -27.422 1.00 0.00 C ATOM 306 C GLY A 23 -16.130 9.704 -28.452 1.00 0.00 C ATOM 307 O GLY A 23 -17.186 10.324 -28.589 1.00 0.00 O ATOM 0 H GLY A 23 -13.953 8.287 -27.169 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.080 7.632 -27.921 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.846 8.661 -26.727 1.00 0.00 H new ATOM 311 N LEU A 24 -15.046 9.954 -29.178 1.00 0.00 N ATOM 312 CA LEU A 24 -15.034 10.994 -30.201 1.00 0.00 C ATOM 313 C LEU A 24 -14.046 10.653 -31.313 1.00 0.00 C ATOM 314 O LEU A 24 -13.015 11.304 -31.482 1.00 0.00 O ATOM 315 CB LEU A 24 -14.673 12.344 -29.580 1.00 0.00 C ATOM 316 CG LEU A 24 -15.804 13.073 -28.853 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.260 14.256 -28.068 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.866 13.530 -29.842 1.00 0.00 C ATOM 0 H LEU A 24 -14.164 9.451 -29.077 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.033 11.055 -30.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.855 12.190 -28.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.296 12.995 -30.369 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.265 12.379 -28.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.080 14.762 -27.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.537 13.903 -27.332 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.773 14.952 -28.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.663 14.047 -29.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.418 14.207 -30.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.279 12.664 -30.359 1.00 0.00 H new ATOM 330 N PRO A 25 -14.368 9.608 -32.090 1.00 0.00 N ATOM 331 CA PRO A 25 -13.523 9.159 -33.201 1.00 0.00 C ATOM 332 C PRO A 25 -13.518 10.147 -34.362 1.00 0.00 C ATOM 333 O PRO A 25 -12.596 10.156 -35.177 1.00 0.00 O ATOM 334 CB PRO A 25 -14.170 7.838 -33.626 1.00 0.00 C ATOM 335 CG PRO A 25 -15.592 7.958 -33.200 1.00 0.00 C ATOM 336 CD PRO A 25 -15.581 8.786 -31.945 1.00 0.00 C ATOM 0 HA PRO A 25 -12.478 9.063 -32.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.091 7.687 -34.703 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.684 6.987 -33.148 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.193 8.433 -33.976 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.028 6.976 -33.016 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.476 9.402 -31.862 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.539 8.162 -31.052 1.00 0.00 H new ATOM 344 N GLN A 26 -14.554 10.978 -34.431 1.00 0.00 N ATOM 345 CA GLN A 26 -14.667 11.970 -35.493 1.00 0.00 C ATOM 346 C GLN A 26 -13.435 12.868 -35.534 1.00 0.00 C ATOM 347 O GLN A 26 -13.091 13.420 -36.579 1.00 0.00 O ATOM 348 CB GLN A 26 -15.925 12.818 -35.296 1.00 0.00 C ATOM 349 CG GLN A 26 -15.978 13.523 -33.950 1.00 0.00 C ATOM 350 CD GLN A 26 -17.231 13.188 -33.165 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.399 12.064 -32.691 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.119 14.165 -33.023 1.00 0.00 N ATOM 0 H GLN A 26 -15.326 10.983 -33.764 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.739 11.441 -36.443 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.979 13.563 -36.090 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.803 12.180 -35.398 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.102 13.246 -33.364 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.929 14.601 -34.106 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.939 15.082 -33.433 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.981 13.999 -32.504 1.00 0.00 H new ATOM 361 N TYR A 27 -12.775 13.009 -34.390 1.00 0.00 N ATOM 362 CA TYR A 27 -11.582 13.843 -34.294 1.00 0.00 C ATOM 363 C TYR A 27 -10.318 13.006 -34.465 1.00 0.00 C ATOM 364 O TYR A 27 -9.312 13.238 -33.796 1.00 0.00 O ATOM 365 CB TYR A 27 -11.549 14.568 -32.947 1.00 0.00 C ATOM 366 CG TYR A 27 -12.801 15.364 -32.657 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.350 16.207 -33.615 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.435 15.272 -31.424 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.493 16.937 -33.353 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.580 15.997 -31.154 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.105 16.828 -32.121 1.00 0.00 C ATOM 372 OH TYR A 27 -16.245 17.552 -31.857 1.00 0.00 O ATOM 0 H TYR A 27 -13.045 12.557 -33.516 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.619 14.581 -35.096 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.402 13.836 -32.153 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.689 15.238 -32.925 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.875 16.293 -34.581 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.026 14.623 -30.664 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.905 17.590 -34.108 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.061 15.913 -30.191 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.753 17.113 -31.143 1.00 0.00 H new ATOM 382 N GLU A 28 -10.378 12.033 -35.369 1.00 0.00 N ATOM 383 CA GLU A 28 -9.239 11.162 -35.629 1.00 0.00 C ATOM 384 C GLU A 28 -8.307 11.780 -36.668 1.00 0.00 C ATOM 385 O GLU A 28 -7.098 11.867 -36.460 1.00 0.00 O ATOM 386 CB GLU A 28 -9.716 9.789 -36.109 1.00 0.00 C ATOM 387 CG GLU A 28 -8.596 8.774 -36.262 1.00 0.00 C ATOM 388 CD GLU A 28 -9.107 7.393 -36.624 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.834 6.795 -35.803 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.779 6.910 -37.728 1.00 0.00 O ATOM 0 H GLU A 28 -11.203 11.829 -35.933 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.687 11.041 -34.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.451 9.402 -35.403 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.223 9.905 -37.067 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.904 9.115 -37.032 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.033 8.717 -35.331 1.00 0.00 H new ATOM 397 N ASN A 29 -8.881 12.207 -37.789 1.00 0.00 N ATOM 398 CA ASN A 29 -8.103 12.817 -38.861 1.00 0.00 C ATOM 399 C ASN A 29 -7.725 14.253 -38.511 1.00 0.00 C ATOM 400 O ASN A 29 -6.719 14.776 -38.991 1.00 0.00 O ATOM 401 CB ASN A 29 -8.893 12.790 -40.171 1.00 0.00 C ATOM 402 CG ASN A 29 -8.092 13.328 -41.341 1.00 0.00 C ATOM 403 OD1 ASN A 29 -6.930 12.966 -41.530 1.00 0.00 O ATOM 404 ND2 ASN A 29 -8.710 14.197 -42.132 1.00 0.00 N ATOM 0 H ASN A 29 -9.881 12.142 -37.978 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.187 12.240 -38.985 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.201 11.767 -40.385 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.803 13.379 -40.056 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.221 14.593 -42.935 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.674 14.468 -41.937 1.00 0.00 H new ATOM 411 N HIS A 30 -8.538 14.884 -37.670 1.00 0.00 N ATOM 412 CA HIS A 30 -8.289 16.260 -37.254 1.00 0.00 C ATOM 413 C HIS A 30 -6.868 16.417 -36.720 1.00 0.00 C ATOM 414 O HIS A 30 -6.012 17.019 -37.371 1.00 0.00 O ATOM 415 CB HIS A 30 -9.297 16.682 -36.185 1.00 0.00 C ATOM 416 CG HIS A 30 -10.528 17.327 -36.743 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.640 16.612 -37.135 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.819 18.629 -36.974 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.561 17.446 -37.584 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.088 18.676 -37.496 1.00 0.00 N ATOM 0 H HIS A 30 -9.374 14.465 -37.263 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.404 16.904 -38.126 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.587 15.806 -35.605 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.814 17.375 -35.496 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.173 19.473 -36.783 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.535 17.169 -37.959 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.585 19.523 -37.771 1.00 0.00 H new ATOM 428 N LEU A 31 -6.623 15.874 -35.533 1.00 0.00 N ATOM 429 CA LEU A 31 -5.306 15.954 -34.912 1.00 0.00 C ATOM 430 C LEU A 31 -4.227 15.429 -35.854 1.00 0.00 C ATOM 431 O LEU A 31 -3.177 16.051 -36.018 1.00 0.00 O ATOM 432 CB LEU A 31 -5.288 15.159 -33.605 1.00 0.00 C ATOM 433 CG LEU A 31 -6.129 15.729 -32.462 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.475 15.025 -32.388 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.387 15.604 -31.139 1.00 0.00 C ATOM 0 H LEU A 31 -7.319 15.373 -34.981 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.096 17.002 -34.696 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.633 14.147 -33.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.255 15.080 -33.265 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.305 16.787 -32.658 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.060 15.444 -31.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.012 15.166 -33.326 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.320 13.960 -32.216 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.001 16.015 -30.337 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.180 14.553 -30.936 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.448 16.154 -31.195 1.00 0.00 H new ATOM 447 N MET A 32 -4.493 14.283 -36.471 1.00 0.00 N ATOM 448 CA MET A 32 -3.546 13.677 -37.399 1.00 0.00 C ATOM 449 C MET A 32 -3.162 14.658 -38.502 1.00 0.00 C ATOM 450 O MET A 32 -2.076 14.570 -39.073 1.00 0.00 O ATOM 451 CB MET A 32 -4.142 12.408 -38.014 1.00 0.00 C ATOM 452 CG MET A 32 -4.140 11.217 -37.070 1.00 0.00 C ATOM 453 SD MET A 32 -2.606 10.272 -37.147 1.00 0.00 S ATOM 454 CE MET A 32 -2.448 9.745 -35.442 1.00 0.00 C ATOM 0 H MET A 32 -5.357 13.755 -36.345 1.00 0.00 H new ATOM 0 HA MET A 32 -2.647 13.414 -36.841 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.166 12.612 -38.326 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.580 12.151 -38.912 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.296 11.567 -36.050 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.977 10.563 -37.314 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.406 9.502 -35.231 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.774 10.548 -34.781 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.067 8.863 -35.275 1.00 0.00 H new ATOM 464 N ALA A 33 -4.061 15.592 -38.797 1.00 0.00 N ATOM 465 CA ALA A 33 -3.815 16.590 -39.830 1.00 0.00 C ATOM 466 C ALA A 33 -3.056 17.787 -39.267 1.00 0.00 C ATOM 467 O ALA A 33 -2.365 18.495 -39.998 1.00 0.00 O ATOM 468 CB ALA A 33 -5.128 17.040 -40.452 1.00 0.00 C ATOM 0 H ALA A 33 -4.966 15.678 -38.335 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.198 16.133 -40.603 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.929 17.785 -41.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.632 16.183 -40.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.765 17.475 -39.682 1.00 0.00 H new ATOM 474 N ASN A 34 -3.191 18.007 -37.963 1.00 0.00 N ATOM 475 CA ASN A 34 -2.519 19.120 -37.302 1.00 0.00 C ATOM 476 C ASN A 34 -1.195 18.671 -36.692 1.00 0.00 C ATOM 477 O ASN A 34 -0.811 19.122 -35.614 1.00 0.00 O ATOM 478 CB ASN A 34 -3.418 19.714 -36.216 1.00 0.00 C ATOM 479 CG ASN A 34 -4.624 20.431 -36.792 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.538 21.593 -37.190 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.757 19.739 -36.840 1.00 0.00 N ATOM 0 H ASN A 34 -3.759 17.429 -37.343 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.313 19.884 -38.052 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.755 18.918 -35.552 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.839 20.411 -35.610 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.601 20.169 -37.218 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.783 18.778 -36.499 1.00 0.00 H new ATOM 488 N GLY A 35 -0.499 17.779 -37.391 1.00 0.00 N ATOM 489 CA GLY A 35 0.774 17.284 -36.903 1.00 0.00 C ATOM 490 C GLY A 35 0.683 16.740 -35.491 1.00 0.00 C ATOM 491 O GLY A 35 1.667 16.743 -34.752 1.00 0.00 O ATOM 0 H GLY A 35 -0.795 17.391 -38.287 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.134 16.500 -37.569 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.508 18.089 -36.932 1.00 0.00 H new ATOM 495 N PHE A 36 -0.503 16.274 -35.114 1.00 0.00 N ATOM 496 CA PHE A 36 -0.720 15.727 -33.780 1.00 0.00 C ATOM 497 C PHE A 36 -0.953 14.220 -33.841 1.00 0.00 C ATOM 498 O PHE A 36 -2.048 13.738 -33.554 1.00 0.00 O ATOM 499 CB PHE A 36 -1.915 16.412 -33.114 1.00 0.00 C ATOM 500 CG PHE A 36 -1.546 17.652 -32.350 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.809 17.567 -31.180 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.938 18.902 -32.802 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.467 18.706 -30.475 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.599 20.044 -32.101 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.864 19.946 -30.936 1.00 0.00 C ATOM 0 H PHE A 36 -1.328 16.264 -35.713 1.00 0.00 H new ATOM 0 HA PHE A 36 0.175 15.915 -33.187 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.648 16.670 -33.878 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.396 15.707 -32.436 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.498 16.600 -30.814 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.514 18.985 -33.712 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.110 18.626 -29.565 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.909 21.013 -32.464 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.600 20.837 -30.386 1.00 0.00 H new ATOM 515 N ASP A 37 0.086 13.482 -34.217 1.00 0.00 N ATOM 516 CA ASP A 37 -0.003 12.030 -34.316 1.00 0.00 C ATOM 517 C ASP A 37 0.786 11.360 -33.196 1.00 0.00 C ATOM 518 O ASP A 37 1.249 10.229 -33.340 1.00 0.00 O ATOM 519 CB ASP A 37 0.515 11.557 -35.675 1.00 0.00 C ATOM 520 CG ASP A 37 1.845 12.188 -36.039 1.00 0.00 C ATOM 521 OD1 ASP A 37 2.792 12.081 -35.233 1.00 0.00 O ATOM 522 OD2 ASP A 37 1.937 12.789 -37.130 1.00 0.00 O ATOM 0 H ASP A 37 1.000 13.866 -34.458 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.051 11.747 -34.217 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.622 10.472 -35.662 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.220 11.796 -36.444 1.00 0.00 H new ATOM 527 N ASN A 38 0.937 12.066 -32.080 1.00 0.00 N ATOM 528 CA ASN A 38 1.672 11.540 -30.935 1.00 0.00 C ATOM 529 C ASN A 38 0.903 11.779 -29.639 1.00 0.00 C ATOM 530 O ASN A 38 1.115 12.781 -28.955 1.00 0.00 O ATOM 531 CB ASN A 38 3.054 12.189 -30.849 1.00 0.00 C ATOM 532 CG ASN A 38 4.085 11.470 -31.698 1.00 0.00 C ATOM 533 OD1 ASN A 38 3.964 11.410 -32.922 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.105 10.919 -31.050 1.00 0.00 N ATOM 0 H ASN A 38 0.560 13.004 -31.944 1.00 0.00 H new ATOM 0 HA ASN A 38 1.791 10.465 -31.073 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.985 13.229 -31.169 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.385 12.197 -29.810 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.829 10.421 -31.568 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.164 10.994 -30.034 1.00 0.00 H new ATOM 541 N VAL A 39 0.011 10.852 -29.307 1.00 0.00 N ATOM 542 CA VAL A 39 -0.788 10.960 -28.092 1.00 0.00 C ATOM 543 C VAL A 39 0.097 10.952 -26.850 1.00 0.00 C ATOM 544 O VAL A 39 -0.236 11.565 -25.836 1.00 0.00 O ATOM 545 CB VAL A 39 -1.810 9.813 -27.988 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.102 8.483 -27.778 1.00 0.00 C ATOM 547 CG2 VAL A 39 -2.800 10.082 -26.865 1.00 0.00 C ATOM 0 H VAL A 39 -0.177 10.017 -29.862 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.322 11.908 -28.148 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.364 9.758 -28.925 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.841 7.685 -27.707 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.437 8.288 -28.619 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.520 8.522 -26.857 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.515 9.261 -26.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.264 10.165 -25.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.332 11.013 -27.064 1.00 0.00 H new ATOM 557 N GLN A 40 1.224 10.254 -26.938 1.00 0.00 N ATOM 558 CA GLN A 40 2.157 10.166 -25.820 1.00 0.00 C ATOM 559 C GLN A 40 2.735 11.537 -25.485 1.00 0.00 C ATOM 560 O GLN A 40 2.947 11.863 -24.317 1.00 0.00 O ATOM 561 CB GLN A 40 3.287 9.189 -26.148 1.00 0.00 C ATOM 562 CG GLN A 40 2.855 7.732 -26.134 1.00 0.00 C ATOM 563 CD GLN A 40 3.295 7.004 -24.879 1.00 0.00 C ATOM 564 OE1 GLN A 40 2.473 6.451 -24.148 1.00 0.00 O ATOM 565 NE2 GLN A 40 4.598 7.000 -24.623 1.00 0.00 N ATOM 0 H GLN A 40 1.514 9.741 -27.771 1.00 0.00 H new ATOM 0 HA GLN A 40 1.611 9.800 -24.951 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.690 9.430 -27.131 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.095 9.327 -25.429 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.770 7.678 -26.219 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.268 7.226 -27.007 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.244 7.471 -25.257 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.953 6.526 -23.793 1.00 0.00 H new ATOM 574 N PHE A 41 2.988 12.335 -26.516 1.00 0.00 N ATOM 575 CA PHE A 41 3.543 13.671 -26.331 1.00 0.00 C ATOM 576 C PHE A 41 2.547 14.579 -25.615 1.00 0.00 C ATOM 577 O PHE A 41 2.926 15.389 -24.769 1.00 0.00 O ATOM 578 CB PHE A 41 3.926 14.279 -27.682 1.00 0.00 C ATOM 579 CG PHE A 41 5.408 14.438 -27.869 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.138 15.275 -27.041 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.070 13.751 -28.874 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.502 15.423 -27.211 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.433 13.895 -29.048 1.00 0.00 C ATOM 584 CZ PHE A 41 8.150 14.732 -28.216 1.00 0.00 C ATOM 0 H PHE A 41 2.818 12.080 -27.489 1.00 0.00 H new ATOM 0 HA PHE A 41 4.437 13.584 -25.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.533 13.649 -28.480 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.449 15.254 -27.781 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.636 15.818 -26.254 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.514 13.096 -29.528 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.060 16.078 -26.559 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.937 13.353 -29.834 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.215 14.846 -28.351 1.00 0.00 H new ATOM 594 N MET A 42 1.272 14.439 -25.962 1.00 0.00 N ATOM 595 CA MET A 42 0.221 15.246 -25.353 1.00 0.00 C ATOM 596 C MET A 42 0.226 15.089 -23.836 1.00 0.00 C ATOM 597 O MET A 42 -0.288 14.107 -23.302 1.00 0.00 O ATOM 598 CB MET A 42 -1.146 14.849 -25.914 1.00 0.00 C ATOM 599 CG MET A 42 -1.352 15.263 -27.362 1.00 0.00 C ATOM 600 SD MET A 42 -3.028 14.941 -27.944 1.00 0.00 S ATOM 601 CE MET A 42 -2.709 13.787 -29.275 1.00 0.00 C ATOM 0 H MET A 42 0.942 13.774 -26.662 1.00 0.00 H new ATOM 0 HA MET A 42 0.414 16.291 -25.593 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.263 13.768 -25.834 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.926 15.300 -25.301 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.133 16.326 -27.467 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.643 14.728 -27.993 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.111 14.185 -30.206 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.634 13.639 -29.378 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.187 12.833 -29.052 1.00 0.00 H new ATOM 611 N GLY A 43 0.811 16.064 -23.147 1.00 0.00 N ATOM 612 CA GLY A 43 0.872 16.015 -21.697 1.00 0.00 C ATOM 613 C GLY A 43 1.785 17.078 -21.119 1.00 0.00 C ATOM 614 O GLY A 43 2.469 16.844 -20.123 1.00 0.00 O ATOM 0 H GLY A 43 1.244 16.887 -23.567 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.131 16.141 -21.290 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.221 15.031 -21.384 1.00 0.00 H new ATOM 618 N SER A 44 1.796 18.251 -21.745 1.00 0.00 N ATOM 619 CA SER A 44 2.636 19.352 -21.290 1.00 0.00 C ATOM 620 C SER A 44 1.844 20.655 -21.242 1.00 0.00 C ATOM 621 O SER A 44 1.479 21.133 -20.168 1.00 0.00 O ATOM 622 CB SER A 44 3.847 19.513 -22.211 1.00 0.00 C ATOM 623 OG SER A 44 4.530 20.726 -21.949 1.00 0.00 O ATOM 0 H SER A 44 1.233 18.463 -22.568 1.00 0.00 H new ATOM 0 HA SER A 44 2.983 19.119 -20.283 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.527 18.672 -22.073 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.522 19.493 -23.251 1.00 0.00 H new ATOM 0 HG SER A 44 5.300 20.804 -22.550 1.00 0.00 H new ATOM 629 N ASN A 45 1.582 21.225 -22.413 1.00 0.00 N ATOM 630 CA ASN A 45 0.833 22.473 -22.506 1.00 0.00 C ATOM 631 C ASN A 45 0.194 22.624 -23.883 1.00 0.00 C ATOM 632 O ASN A 45 -0.105 23.734 -24.323 1.00 0.00 O ATOM 633 CB ASN A 45 1.751 23.665 -22.224 1.00 0.00 C ATOM 634 CG ASN A 45 2.082 23.804 -20.751 1.00 0.00 C ATOM 635 OD1 ASN A 45 1.301 24.360 -19.978 1.00 0.00 O ATOM 636 ND2 ASN A 45 3.245 23.300 -20.356 1.00 0.00 N ATOM 0 H ASN A 45 1.877 20.843 -23.311 1.00 0.00 H new ATOM 0 HA ASN A 45 0.040 22.448 -21.758 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.674 23.551 -22.792 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.272 24.580 -22.574 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.523 23.365 -19.377 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.861 22.848 -21.032 1.00 0.00 H new ATOM 643 N VAL A 46 -0.013 21.498 -24.559 1.00 0.00 N ATOM 644 CA VAL A 46 -0.618 21.504 -25.886 1.00 0.00 C ATOM 645 C VAL A 46 -2.052 20.987 -25.838 1.00 0.00 C ATOM 646 O VAL A 46 -2.532 20.556 -24.791 1.00 0.00 O ATOM 647 CB VAL A 46 0.192 20.646 -26.876 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.457 21.374 -27.303 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.527 19.295 -26.260 1.00 0.00 C ATOM 0 H VAL A 46 0.229 20.571 -24.210 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.619 22.539 -26.229 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.417 20.474 -27.764 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.016 20.752 -28.002 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.190 22.314 -27.786 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.073 21.578 -26.427 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.099 18.702 -26.973 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.117 19.444 -25.356 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.395 18.771 -26.009 1.00 0.00 H new ATOM 659 N MET A 47 -2.730 21.034 -26.980 1.00 0.00 N ATOM 660 CA MET A 47 -4.109 20.569 -27.069 1.00 0.00 C ATOM 661 C MET A 47 -4.993 21.294 -26.058 1.00 0.00 C ATOM 662 O MET A 47 -6.026 20.773 -25.639 1.00 0.00 O ATOM 663 CB MET A 47 -4.177 19.059 -26.833 1.00 0.00 C ATOM 664 CG MET A 47 -4.809 18.293 -27.984 1.00 0.00 C ATOM 665 SD MET A 47 -3.875 18.449 -29.518 1.00 0.00 S ATOM 666 CE MET A 47 -5.181 18.873 -30.668 1.00 0.00 C ATOM 0 H MET A 47 -2.347 21.389 -27.856 1.00 0.00 H new ATOM 0 HA MET A 47 -4.477 20.789 -28.071 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.169 18.680 -26.665 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.746 18.867 -25.923 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.886 17.239 -27.715 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.824 18.656 -28.143 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.889 18.577 -31.676 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.096 18.351 -30.388 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.354 19.949 -30.642 1.00 0.00 H new ATOM 676 N GLU A 48 -4.580 22.497 -25.672 1.00 0.00 N ATOM 677 CA GLU A 48 -5.335 23.290 -24.709 1.00 0.00 C ATOM 678 C GLU A 48 -6.653 23.767 -25.312 1.00 0.00 C ATOM 679 O GLU A 48 -6.994 23.416 -26.442 1.00 0.00 O ATOM 680 CB GLU A 48 -4.508 24.492 -24.246 1.00 0.00 C ATOM 681 CG GLU A 48 -3.072 24.144 -23.894 1.00 0.00 C ATOM 682 CD GLU A 48 -2.407 25.205 -23.040 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.586 25.171 -21.805 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.707 26.071 -23.607 1.00 0.00 O ATOM 0 H GLU A 48 -3.728 22.943 -26.011 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.557 22.658 -23.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.508 25.247 -25.033 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.988 24.939 -23.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.052 23.192 -23.364 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.499 24.010 -24.812 1.00 0.00 H new ATOM 691 N ASP A 49 -7.389 24.569 -24.551 1.00 0.00 N ATOM 692 CA ASP A 49 -8.670 25.095 -25.009 1.00 0.00 C ATOM 693 C ASP A 49 -8.510 25.841 -26.330 1.00 0.00 C ATOM 694 O ASP A 49 -9.453 25.942 -27.114 1.00 0.00 O ATOM 695 CB ASP A 49 -9.270 26.025 -23.953 1.00 0.00 C ATOM 696 CG ASP A 49 -10.786 26.034 -23.984 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.377 25.017 -24.404 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.380 27.058 -23.588 1.00 0.00 O ATOM 0 H ASP A 49 -7.121 24.869 -23.614 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.345 24.254 -25.167 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.931 25.714 -22.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.900 27.038 -24.113 1.00 0.00 H new ATOM 703 N GLN A 50 -7.310 26.361 -26.568 1.00 0.00 N ATOM 704 CA GLN A 50 -7.028 27.099 -27.794 1.00 0.00 C ATOM 705 C GLN A 50 -6.558 26.159 -28.899 1.00 0.00 C ATOM 706 O GLN A 50 -7.073 26.193 -30.017 1.00 0.00 O ATOM 707 CB GLN A 50 -5.969 28.172 -27.536 1.00 0.00 C ATOM 708 CG GLN A 50 -6.494 29.592 -27.677 1.00 0.00 C ATOM 709 CD GLN A 50 -6.508 30.068 -29.117 1.00 0.00 C ATOM 710 OE1 GLN A 50 -5.466 30.135 -29.770 1.00 0.00 O ATOM 711 NE2 GLN A 50 -7.691 30.401 -29.619 1.00 0.00 N ATOM 0 H GLN A 50 -6.518 26.285 -25.929 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.950 27.580 -28.119 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.568 28.040 -26.531 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.142 28.029 -28.231 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.504 29.644 -27.271 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.876 30.265 -27.082 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.529 30.330 -29.041 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.762 30.728 -30.582 1.00 0.00 H new ATOM 720 N ASP A 51 -5.578 25.322 -28.579 1.00 0.00 N ATOM 721 CA ASP A 51 -5.039 24.372 -29.545 1.00 0.00 C ATOM 722 C ASP A 51 -6.147 23.498 -30.125 1.00 0.00 C ATOM 723 O ASP A 51 -6.046 23.017 -31.254 1.00 0.00 O ATOM 724 CB ASP A 51 -3.971 23.495 -28.889 1.00 0.00 C ATOM 725 CG ASP A 51 -2.810 24.305 -28.346 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.291 25.167 -29.085 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.420 24.076 -27.181 1.00 0.00 O ATOM 0 H ASP A 51 -5.141 25.282 -27.658 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.584 24.938 -30.358 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.422 22.923 -28.078 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.599 22.775 -29.618 1.00 0.00 H new ATOM 732 N LEU A 52 -7.202 23.295 -29.344 1.00 0.00 N ATOM 733 CA LEU A 52 -8.329 22.477 -29.778 1.00 0.00 C ATOM 734 C LEU A 52 -9.279 23.283 -30.658 1.00 0.00 C ATOM 735 O LEU A 52 -9.996 22.725 -31.490 1.00 0.00 O ATOM 736 CB LEU A 52 -9.083 21.926 -28.566 1.00 0.00 C ATOM 737 CG LEU A 52 -8.413 20.765 -27.831 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.122 20.487 -26.515 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.397 19.519 -28.704 1.00 0.00 C ATOM 0 H LEU A 52 -7.301 23.686 -28.407 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.938 21.645 -30.363 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.235 22.740 -27.857 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.070 21.601 -28.894 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.382 21.044 -27.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.631 19.658 -26.006 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.081 21.375 -25.885 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.163 20.228 -26.710 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.916 18.703 -28.165 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.420 19.236 -28.953 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.843 19.724 -29.620 1.00 0.00 H new ATOM 751 N LEU A 53 -9.278 24.599 -30.471 1.00 0.00 N ATOM 752 CA LEU A 53 -10.138 25.483 -31.250 1.00 0.00 C ATOM 753 C LEU A 53 -9.490 25.837 -32.584 1.00 0.00 C ATOM 754 O LEU A 53 -10.179 26.140 -33.558 1.00 0.00 O ATOM 755 CB LEU A 53 -10.439 26.759 -30.461 1.00 0.00 C ATOM 756 CG LEU A 53 -11.079 27.901 -31.250 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.449 27.490 -31.768 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.185 29.151 -30.389 1.00 0.00 C ATOM 0 H LEU A 53 -8.691 25.077 -29.787 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.072 24.958 -31.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.099 26.502 -29.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.507 27.122 -30.026 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.443 28.127 -32.106 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.889 28.316 -32.327 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.346 26.623 -32.421 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.095 27.236 -30.927 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.643 29.953 -30.967 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.799 28.939 -29.514 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.189 29.457 -30.068 1.00 0.00 H new ATOM 770 N GLU A 54 -8.162 25.795 -32.621 1.00 0.00 N ATOM 771 CA GLU A 54 -7.422 26.110 -33.837 1.00 0.00 C ATOM 772 C GLU A 54 -7.419 24.923 -34.796 1.00 0.00 C ATOM 773 O GLU A 54 -7.582 25.089 -36.005 1.00 0.00 O ATOM 774 CB GLU A 54 -5.984 26.507 -33.496 1.00 0.00 C ATOM 775 CG GLU A 54 -5.879 27.473 -32.328 1.00 0.00 C ATOM 776 CD GLU A 54 -5.025 28.685 -32.647 1.00 0.00 C ATOM 777 OE1 GLU A 54 -5.284 29.338 -33.680 1.00 0.00 O ATOM 778 OE2 GLU A 54 -4.098 28.979 -31.864 1.00 0.00 O ATOM 0 H GLU A 54 -7.577 25.546 -31.823 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.918 26.949 -34.326 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.413 25.608 -33.265 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.523 26.960 -34.374 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.878 27.802 -32.043 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.458 26.953 -31.468 1.00 0.00 H new ATOM 785 N ILE A 55 -7.234 23.727 -34.248 1.00 0.00 N ATOM 786 CA ILE A 55 -7.211 22.513 -35.054 1.00 0.00 C ATOM 787 C ILE A 55 -8.488 22.375 -35.876 1.00 0.00 C ATOM 788 O ILE A 55 -8.497 21.729 -36.923 1.00 0.00 O ATOM 789 CB ILE A 55 -7.040 21.259 -34.177 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.140 21.198 -33.115 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.666 21.252 -33.524 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.240 19.856 -32.425 1.00 0.00 C ATOM 0 H ILE A 55 -7.098 23.573 -33.249 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.357 22.596 -35.726 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.124 20.377 -34.811 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.955 21.969 -32.367 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.097 21.430 -33.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.561 20.359 -32.907 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.896 21.253 -34.296 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.555 22.139 -32.900 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.040 19.886 -31.685 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.456 19.083 -33.162 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.296 19.631 -31.929 1.00 0.00 H new ATOM 804 N GLY A 56 -9.565 22.988 -35.394 1.00 0.00 N ATOM 805 CA GLY A 56 -10.832 22.923 -36.098 1.00 0.00 C ATOM 806 C GLY A 56 -12.004 22.695 -35.163 1.00 0.00 C ATOM 807 O GLY A 56 -13.055 23.317 -35.312 1.00 0.00 O ATOM 0 H GLY A 56 -9.582 23.528 -34.529 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.986 23.851 -36.649 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.795 22.118 -36.832 1.00 0.00 H new ATOM 811 N ILE A 57 -11.823 21.799 -34.198 1.00 0.00 N ATOM 812 CA ILE A 57 -12.874 21.491 -33.236 1.00 0.00 C ATOM 813 C ILE A 57 -13.420 22.761 -32.593 1.00 0.00 C ATOM 814 O ILE A 57 -12.733 23.418 -31.810 1.00 0.00 O ATOM 815 CB ILE A 57 -12.366 20.546 -32.131 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.827 19.252 -32.744 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.479 20.245 -31.139 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.234 18.303 -31.727 1.00 0.00 C ATOM 0 H ILE A 57 -10.959 21.274 -34.062 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.672 20.995 -33.788 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.553 21.039 -31.597 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.635 18.746 -33.273 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.067 19.500 -33.485 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.105 19.576 -30.364 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.821 21.174 -30.682 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.311 19.769 -31.659 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.872 17.408 -32.232 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.405 18.791 -31.214 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.997 18.026 -31.000 1.00 0.00 H new ATOM 830 N LEU A 58 -14.660 23.100 -32.927 1.00 0.00 N ATOM 831 CA LEU A 58 -15.301 24.291 -32.380 1.00 0.00 C ATOM 832 C LEU A 58 -16.227 23.929 -31.223 1.00 0.00 C ATOM 833 O LEU A 58 -16.424 24.720 -30.302 1.00 0.00 O ATOM 834 CB LEU A 58 -16.089 25.017 -33.472 1.00 0.00 C ATOM 835 CG LEU A 58 -15.338 25.286 -34.776 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.196 26.108 -35.726 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.021 25.995 -34.496 1.00 0.00 C ATOM 0 H LEU A 58 -15.242 22.567 -33.574 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.521 24.952 -32.003 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.977 24.429 -33.703 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.433 25.970 -33.071 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.119 24.330 -35.251 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.645 26.290 -36.649 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.113 25.563 -35.952 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.446 27.061 -35.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.500 26.179 -35.435 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.218 26.945 -33.999 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.401 25.370 -33.853 1.00 0.00 H new ATOM 849 N ASN A 59 -16.790 22.727 -31.277 1.00 0.00 N ATOM 850 CA ASN A 59 -17.694 22.259 -30.233 1.00 0.00 C ATOM 851 C ASN A 59 -17.054 22.400 -28.856 1.00 0.00 C ATOM 852 O ASN A 59 -16.156 21.638 -28.496 1.00 0.00 O ATOM 853 CB ASN A 59 -18.081 20.799 -30.481 1.00 0.00 C ATOM 854 CG ASN A 59 -19.384 20.668 -31.246 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.461 20.601 -30.653 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.291 20.631 -32.570 1.00 0.00 N ATOM 0 H ASN A 59 -16.636 22.059 -32.032 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.592 22.876 -30.261 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.285 20.304 -31.038 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.170 20.282 -29.525 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.134 20.544 -33.138 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.377 20.690 -33.019 1.00 0.00 H new ATOM 863 N SER A 60 -17.522 23.379 -28.089 1.00 0.00 N ATOM 864 CA SER A 60 -16.992 23.623 -26.752 1.00 0.00 C ATOM 865 C SER A 60 -17.292 22.448 -25.827 1.00 0.00 C ATOM 866 O SER A 60 -16.436 22.016 -25.055 1.00 0.00 O ATOM 867 CB SER A 60 -17.586 24.908 -26.172 1.00 0.00 C ATOM 868 OG SER A 60 -16.934 25.273 -24.968 1.00 0.00 O ATOM 0 H SER A 60 -18.267 24.016 -28.370 1.00 0.00 H new ATOM 0 HA SER A 60 -15.911 23.734 -26.831 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.494 25.715 -26.898 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.651 24.768 -25.985 1.00 0.00 H new ATOM 0 HG SER A 60 -17.331 26.098 -24.618 1.00 0.00 H new ATOM 874 N GLY A 61 -18.516 21.934 -25.910 1.00 0.00 N ATOM 875 CA GLY A 61 -18.908 20.813 -25.075 1.00 0.00 C ATOM 876 C GLY A 61 -17.997 19.614 -25.248 1.00 0.00 C ATOM 877 O GLY A 61 -17.799 18.837 -24.314 1.00 0.00 O ATOM 0 H GLY A 61 -19.243 22.274 -26.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.901 21.123 -24.030 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.931 20.525 -25.316 1.00 0.00 H new ATOM 881 N HIS A 62 -17.442 19.462 -26.447 1.00 0.00 N ATOM 882 CA HIS A 62 -16.548 18.348 -26.739 1.00 0.00 C ATOM 883 C HIS A 62 -15.102 18.712 -26.412 1.00 0.00 C ATOM 884 O HIS A 62 -14.310 17.855 -26.021 1.00 0.00 O ATOM 885 CB HIS A 62 -16.664 17.946 -28.209 1.00 0.00 C ATOM 886 CG HIS A 62 -17.946 17.246 -28.539 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.275 16.839 -29.815 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.983 16.879 -27.750 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.460 16.254 -29.796 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.911 16.265 -28.555 1.00 0.00 N ATOM 0 H HIS A 62 -17.596 20.096 -27.231 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.842 17.504 -26.115 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.577 18.838 -28.829 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.828 17.296 -28.466 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.065 17.039 -26.685 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.973 15.838 -30.651 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.803 15.880 -28.245 1.00 0.00 H new ATOM 898 N ARG A 63 -14.767 19.987 -26.575 1.00 0.00 N ATOM 899 CA ARG A 63 -13.417 20.463 -26.299 1.00 0.00 C ATOM 900 C ARG A 63 -12.999 20.117 -24.873 1.00 0.00 C ATOM 901 O ARG A 63 -11.843 19.778 -24.620 1.00 0.00 O ATOM 902 CB ARG A 63 -13.333 21.976 -26.513 1.00 0.00 C ATOM 903 CG ARG A 63 -13.086 22.374 -27.959 1.00 0.00 C ATOM 904 CD ARG A 63 -12.115 23.539 -28.058 1.00 0.00 C ATOM 905 NE ARG A 63 -12.608 24.724 -27.360 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.492 25.568 -27.880 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.979 25.358 -29.095 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.893 26.624 -27.183 1.00 0.00 N ATOM 0 H ARG A 63 -15.412 20.709 -26.897 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.736 19.966 -26.990 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.261 22.435 -26.172 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.532 22.378 -25.892 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.690 21.521 -28.510 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.031 22.646 -28.429 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.153 23.245 -27.638 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.945 23.781 -29.107 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.254 24.913 -26.422 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.675 24.547 -29.633 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.658 26.008 -29.492 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.522 26.788 -26.247 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.572 27.271 -27.583 1.00 0.00 H new ATOM 922 N GLN A 64 -13.947 20.204 -23.946 1.00 0.00 N ATOM 923 CA GLN A 64 -13.676 19.900 -22.546 1.00 0.00 C ATOM 924 C GLN A 64 -13.450 18.405 -22.346 1.00 0.00 C ATOM 925 O GLN A 64 -12.489 17.995 -21.696 1.00 0.00 O ATOM 926 CB GLN A 64 -14.835 20.374 -21.666 1.00 0.00 C ATOM 927 CG GLN A 64 -14.696 21.815 -21.202 1.00 0.00 C ATOM 928 CD GLN A 64 -15.419 22.080 -19.896 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.967 21.667 -18.828 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.550 22.773 -19.975 1.00 0.00 N ATOM 0 H GLN A 64 -14.909 20.482 -24.139 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.768 20.428 -22.256 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.768 20.268 -22.220 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.907 19.725 -20.793 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.639 22.054 -21.083 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.088 22.480 -21.971 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.888 23.096 -20.882 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.080 22.982 -19.129 1.00 0.00 H new ATOM 939 N ARG A 65 -14.341 17.597 -22.911 1.00 0.00 N ATOM 940 CA ARG A 65 -14.239 16.147 -22.793 1.00 0.00 C ATOM 941 C ARG A 65 -12.851 15.665 -23.205 1.00 0.00 C ATOM 942 O ARG A 65 -12.334 14.690 -22.658 1.00 0.00 O ATOM 943 CB ARG A 65 -15.303 15.468 -23.657 1.00 0.00 C ATOM 944 CG ARG A 65 -16.577 15.131 -22.900 1.00 0.00 C ATOM 945 CD ARG A 65 -17.650 14.586 -23.830 1.00 0.00 C ATOM 946 NE ARG A 65 -18.144 13.283 -23.392 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.031 13.123 -22.416 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.519 14.179 -21.780 1.00 0.00 N ATOM 949 NH2 ARG A 65 -19.432 11.905 -22.075 1.00 0.00 N ATOM 0 H ARG A 65 -15.141 17.921 -23.455 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.403 15.880 -21.749 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.550 16.121 -24.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.887 14.552 -24.078 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.358 14.396 -22.125 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.949 16.023 -22.397 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.480 15.291 -23.878 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.246 14.500 -24.839 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.788 12.450 -23.861 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.214 15.117 -22.040 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.200 14.054 -21.031 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.059 11.090 -22.562 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.113 11.783 -21.325 1.00 0.00 H new ATOM 963 N ILE A 66 -12.253 16.353 -24.171 1.00 0.00 N ATOM 964 CA ILE A 66 -10.926 15.996 -24.655 1.00 0.00 C ATOM 965 C ILE A 66 -9.839 16.563 -23.749 1.00 0.00 C ATOM 966 O ILE A 66 -8.834 15.903 -23.478 1.00 0.00 O ATOM 967 CB ILE A 66 -10.695 16.500 -26.092 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.794 15.980 -27.021 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.324 16.069 -26.591 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.767 16.604 -28.399 1.00 0.00 C ATOM 0 H ILE A 66 -12.667 17.162 -24.634 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.871 14.907 -24.648 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.733 17.589 -26.090 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.694 14.899 -27.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.765 16.171 -26.564 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.176 16.433 -27.608 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.553 16.484 -25.941 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.259 14.981 -26.582 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.574 16.188 -29.003 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.897 17.683 -28.313 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.810 16.391 -28.876 1.00 0.00 H new ATOM 982 N LEU A 67 -10.047 17.788 -23.281 1.00 0.00 N ATOM 983 CA LEU A 67 -9.085 18.445 -22.402 1.00 0.00 C ATOM 984 C LEU A 67 -8.826 17.606 -21.155 1.00 0.00 C ATOM 985 O LEU A 67 -7.733 17.638 -20.591 1.00 0.00 O ATOM 986 CB LEU A 67 -9.594 19.831 -22.002 1.00 0.00 C ATOM 987 CG LEU A 67 -9.150 20.992 -22.893 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.203 22.090 -22.903 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.810 21.540 -22.426 1.00 0.00 C ATOM 0 H LEU A 67 -10.873 18.347 -23.495 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.147 18.553 -22.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.684 19.806 -21.988 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.267 20.036 -20.983 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.033 20.620 -23.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.870 22.908 -23.542 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.142 21.690 -23.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.352 22.460 -21.889 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.510 22.365 -23.071 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.900 21.896 -21.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.059 20.752 -22.472 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.839 16.856 -20.731 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.719 16.008 -19.552 1.00 0.00 C ATOM 1003 C GLN A 68 -8.804 14.819 -19.826 1.00 0.00 C ATOM 1004 O GLN A 68 -7.811 14.614 -19.130 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.098 15.514 -19.111 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.476 15.943 -17.702 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.799 16.682 -17.652 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -12.846 17.873 -17.344 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.883 15.977 -17.956 1.00 0.00 N ATOM 0 H GLN A 68 -10.751 16.819 -21.187 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.280 16.603 -18.751 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.848 15.886 -19.809 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.121 14.426 -19.169 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.531 15.063 -17.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.691 16.583 -17.298 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.797 14.992 -18.206 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.801 16.421 -17.940 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.146 14.039 -20.846 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.355 12.871 -21.214 1.00 0.00 C ATOM 1020 C ALA A 69 -6.889 13.242 -21.412 1.00 0.00 C ATOM 1021 O ALA A 69 -5.995 12.435 -21.158 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.914 12.231 -22.476 1.00 0.00 C ATOM 0 H ALA A 69 -9.966 14.195 -21.432 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.414 12.151 -20.398 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.314 11.360 -22.739 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.945 11.922 -22.301 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.885 12.952 -23.293 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.650 14.467 -21.868 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.292 14.944 -22.099 1.00 0.00 C ATOM 1030 C ILE A 70 -4.602 15.297 -20.786 1.00 0.00 C ATOM 1031 O ILE A 70 -3.384 15.174 -20.662 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.278 16.178 -23.021 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.922 15.842 -24.369 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.854 16.676 -23.218 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.423 17.057 -25.118 1.00 0.00 C ATOM 0 H ILE A 70 -7.379 15.147 -22.085 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.751 14.132 -22.584 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.858 16.972 -22.550 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.195 15.317 -24.989 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.754 15.158 -24.205 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.861 17.548 -23.872 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.427 16.949 -22.253 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.252 15.888 -23.671 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.867 16.744 -26.063 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.173 17.571 -24.517 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.590 17.733 -25.314 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.390 15.735 -19.809 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.854 16.105 -18.504 1.00 0.00 C ATOM 1049 C GLN A 71 -4.386 14.872 -17.739 1.00 0.00 C ATOM 1050 O GLN A 71 -3.514 14.959 -16.873 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.909 16.855 -17.690 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.725 18.364 -17.699 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.244 19.022 -16.436 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.366 18.760 -16.001 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.429 19.884 -15.839 1.00 0.00 N ATOM 0 H GLN A 71 -6.401 15.842 -19.896 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.996 16.759 -18.663 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.897 16.615 -18.083 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.881 16.500 -16.660 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.667 18.597 -17.817 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.242 18.784 -18.562 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.507 20.072 -16.234 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.725 20.358 -14.986 1.00 0.00 H new ATOM 1064 N LEU A 72 -4.970 13.723 -18.063 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.613 12.471 -17.405 1.00 0.00 C ATOM 1066 C LEU A 72 -3.401 11.831 -18.075 1.00 0.00 C ATOM 1067 O LEU A 72 -2.664 11.067 -17.450 1.00 0.00 O ATOM 1068 CB LEU A 72 -5.796 11.502 -17.433 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.120 12.044 -16.894 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.271 11.132 -17.290 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.057 12.201 -15.382 1.00 0.00 C ATOM 0 H LEU A 72 -5.693 13.633 -18.777 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.358 12.693 -16.369 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.951 11.179 -18.462 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.528 10.616 -16.858 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.294 13.026 -17.334 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.205 11.534 -16.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.330 11.072 -18.377 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.104 10.136 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.008 12.588 -15.016 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.859 11.232 -14.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.259 12.896 -15.121 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.198 12.149 -19.349 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.074 11.607 -20.103 1.00 0.00 C ATOM 1085 C LEU A 73 -0.761 11.825 -19.357 1.00 0.00 C ATOM 1086 O LEU A 73 -0.649 12.689 -18.487 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.001 12.258 -21.486 1.00 0.00 C ATOM 1088 CG LEU A 73 -2.911 11.658 -22.558 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -2.865 12.496 -23.827 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.512 10.219 -22.853 1.00 0.00 C ATOM 0 H LEU A 73 -3.798 12.780 -19.881 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.231 10.535 -20.220 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.244 13.315 -21.381 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.971 12.201 -21.839 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.934 11.660 -22.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.519 12.054 -24.579 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.200 13.510 -23.606 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.844 12.526 -24.207 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.171 9.808 -23.618 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.482 10.193 -23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.597 9.624 -21.944 1.00 0.00 H new ATOM 1102 N PRO A 74 0.257 11.024 -19.704 1.00 0.00 N ATOM 1103 CA PRO A 74 1.581 11.112 -19.081 1.00 0.00 C ATOM 1104 C PRO A 74 2.322 12.386 -19.470 1.00 0.00 C ATOM 1105 O PRO A 74 2.070 12.963 -20.529 1.00 0.00 O ATOM 1106 CB PRO A 74 2.311 9.881 -19.625 1.00 0.00 C ATOM 1107 CG PRO A 74 1.635 9.580 -20.918 1.00 0.00 C ATOM 1108 CD PRO A 74 0.195 9.972 -20.733 1.00 0.00 C ATOM 0 HA PRO A 74 1.518 11.142 -17.993 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.372 10.082 -19.771 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.238 9.040 -18.935 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.090 10.139 -21.736 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.723 8.523 -21.167 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.243 10.342 -21.660 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.413 9.128 -20.408 1.00 0.00 H new ATOM 1116 N SER A 75 3.236 12.821 -18.609 1.00 0.00 N ATOM 1117 CA SER A 75 4.011 14.030 -18.861 1.00 0.00 C ATOM 1118 C SER A 75 5.492 13.793 -18.586 1.00 0.00 C ATOM 1119 O SER A 75 6.125 14.543 -17.844 1.00 0.00 O ATOM 1120 CB SER A 75 3.497 15.181 -17.995 1.00 0.00 C ATOM 1121 OG SER A 75 2.081 15.189 -17.944 1.00 0.00 O ATOM 0 H SER A 75 3.458 12.354 -17.730 1.00 0.00 H new ATOM 0 HA SER A 75 3.893 14.295 -19.912 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.900 15.089 -16.986 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.855 16.129 -18.396 1.00 0.00 H new ATOM 0 HG SER A 75 1.731 15.754 -18.664 1.00 0.00 H new ATOM 1127 N GLY A 76 6.040 12.743 -19.190 1.00 0.00 N ATOM 1128 CA GLY A 76 7.443 12.424 -18.998 1.00 0.00 C ATOM 1129 C GLY A 76 7.644 11.153 -18.197 1.00 0.00 C ATOM 1130 O GLY A 76 6.691 10.455 -17.850 1.00 0.00 O ATOM 0 H GLY A 76 5.537 12.107 -19.809 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.924 12.317 -19.970 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.934 13.253 -18.488 1.00 0.00 H new ATOM 1134 N PRO A 77 8.911 10.836 -17.891 1.00 0.00 N ATOM 1135 CA PRO A 77 9.264 9.638 -17.123 1.00 0.00 C ATOM 1136 C PRO A 77 8.833 9.738 -15.663 1.00 0.00 C ATOM 1137 O PRO A 77 9.548 10.297 -14.832 1.00 0.00 O ATOM 1138 CB PRO A 77 10.790 9.587 -17.228 1.00 0.00 C ATOM 1139 CG PRO A 77 11.201 10.999 -17.464 1.00 0.00 C ATOM 1140 CD PRO A 77 10.096 11.623 -18.271 1.00 0.00 C ATOM 0 HA PRO A 77 8.767 8.747 -17.506 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.237 9.192 -16.316 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.109 8.940 -18.045 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.342 11.527 -16.521 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.149 11.045 -18.000 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.971 12.679 -18.032 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.294 11.560 -19.341 1.00 0.00 H new ATOM 1148 N SER A 78 7.660 9.191 -15.359 1.00 0.00 N ATOM 1149 CA SER A 78 7.133 9.221 -14.000 1.00 0.00 C ATOM 1150 C SER A 78 7.262 7.853 -13.337 1.00 0.00 C ATOM 1151 O SER A 78 7.970 7.698 -12.342 1.00 0.00 O ATOM 1152 CB SER A 78 5.667 9.660 -14.009 1.00 0.00 C ATOM 1153 OG SER A 78 5.361 10.438 -12.864 1.00 0.00 O ATOM 0 H SER A 78 7.057 8.722 -16.035 1.00 0.00 H new ATOM 0 HA SER A 78 7.717 9.940 -13.426 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.463 10.238 -14.910 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.021 8.782 -14.040 1.00 0.00 H new ATOM 0 HG SER A 78 4.419 10.708 -12.894 1.00 0.00 H new ATOM 1159 N SER A 79 6.571 6.865 -13.895 1.00 0.00 N ATOM 1160 CA SER A 79 6.604 5.510 -13.357 1.00 0.00 C ATOM 1161 C SER A 79 6.115 4.502 -14.392 1.00 0.00 C ATOM 1162 O SER A 79 5.669 4.875 -15.476 1.00 0.00 O ATOM 1163 CB SER A 79 5.745 5.419 -12.094 1.00 0.00 C ATOM 1164 OG SER A 79 6.510 4.973 -10.988 1.00 0.00 O ATOM 0 H SER A 79 5.981 6.977 -14.720 1.00 0.00 H new ATOM 0 HA SER A 79 7.637 5.272 -13.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.314 6.395 -11.872 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.913 4.735 -12.264 1.00 0.00 H new ATOM 0 HG SER A 79 5.939 4.925 -10.193 1.00 0.00 H new ATOM 1170 N GLY A 80 6.202 3.220 -14.048 1.00 0.00 N ATOM 1171 CA GLY A 80 5.765 2.177 -14.957 1.00 0.00 C ATOM 1172 C GLY A 80 5.299 0.931 -14.230 1.00 0.00 C ATOM 1173 O GLY A 80 4.246 0.935 -13.593 1.00 0.00 O ATOM 0 H GLY A 80 6.567 2.886 -13.156 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.953 2.557 -15.577 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.584 1.917 -15.628 1.00 0.00 H new TER 1177 GLY A 80