USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 104 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 107 CYS SG : rot -170:sc= 0.679 USER MOD Set 2.2: A 138 SER OG : rot 94:sc= 2.15 USER MOD Set 3.1: A 88 HIS : no HD1:sc= -0.11 X(o=-0.25,f=-0.033) USER MOD Set 3.2: A 90 HIS : no HD1:sc= -0.135 X(o=-0.25,f=-0.033) USER MOD Set 4.1: A 83 HIS : no HD1:sc= -0.0431 X(o=-0.085,f=0.0011) USER MOD Set 4.2: A 85 HIS : no HD1:sc= -0.0416 X(o=-0.085,f=0.0011) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0329) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 84 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.45) USER MOD Single : A 86 HIS : no HD1:sc=-0.00961 X(o=-0.0096,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 89 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.76) USER MOD Single : A 91 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-2.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.052) USER MOD Single : A 100 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.041) USER MOD Single : A 101 MET CE :methyl -150:sc= -0.303 (180deg=-2!) USER MOD Single : A 106 TYR OH : rot 8:sc= 1.26 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 31:sc= 0.947 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.4) USER MOD Single : A 134 CYS SG : rot 68:sc= 0.662 USER MOD Single : A 145 SER OG : rot 24:sc= 0.121 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 157 ASN :FLIP amide:sc= -0.194 F(o=-1.5!,f=-0.19) USER MOD Single : A 158 HIS : no HE2:sc= 0.513 K(o=0.51,f=-2.7!) USER MOD Single : A 160 SER OG : rot -168:sc= 0.816 USER MOD Single : A 163 SER OG : rot -18:sc= 0.155 USER MOD Single : A 164 TYR OH : rot 30:sc= -0.232 USER MOD Single : A 167 LYS NZ :NH3+ -152:sc= 0.98 (180deg=-0.412!) USER MOD Single : A 176 GLN : amide:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 34.273 -23.145 27.809 1.00 25.00 N ATOM 2 CA MET A 80 33.688 -23.881 26.661 1.00 25.00 C ATOM 3 C MET A 80 33.248 -22.973 25.518 1.00 25.00 C ATOM 4 O MET A 80 32.537 -22.008 25.688 1.00 25.00 O ATOM 5 CB MET A 80 32.492 -24.706 27.176 1.00 25.00 C ATOM 6 CG MET A 80 31.940 -25.649 26.091 1.00 25.00 C ATOM 7 SD MET A 80 30.453 -26.556 26.641 1.00 25.00 S ATOM 8 CE MET A 80 31.170 -27.727 27.841 1.00 25.00 C ATOM 0 HA MET A 80 34.464 -24.525 26.247 1.00 25.00 H new ATOM 0 HB2 MET A 80 32.800 -25.290 28.043 1.00 25.00 H new ATOM 0 HB3 MET A 80 31.702 -24.033 27.509 1.00 25.00 H new ATOM 0 HG2 MET A 80 31.699 -25.070 25.200 1.00 25.00 H new ATOM 0 HG3 MET A 80 32.713 -26.363 25.808 1.00 25.00 H new ATOM 0 HE1 MET A 80 30.391 -28.395 28.207 1.00 25.00 H new ATOM 0 HE2 MET A 80 31.952 -28.312 27.356 1.00 25.00 H new ATOM 0 HE3 MET A 80 31.597 -27.174 28.678 1.00 25.00 H new ATOM 18 N GLY A 81 33.728 -23.280 24.306 1.00 25.00 N ATOM 19 CA GLY A 81 33.409 -22.502 23.120 1.00 25.00 C ATOM 20 C GLY A 81 34.540 -22.576 22.117 1.00 25.00 C ATOM 21 O GLY A 81 35.604 -23.108 22.427 1.00 25.00 O ATOM 0 H GLY A 81 34.345 -24.073 24.129 1.00 25.00 H new ATOM 0 HA2 GLY A 81 32.490 -22.876 22.669 1.00 25.00 H new ATOM 0 HA3 GLY A 81 33.228 -21.463 23.397 1.00 25.00 H new ATOM 25 N HIS A 82 34.316 -22.048 20.923 1.00 25.00 N ATOM 26 CA HIS A 82 35.324 -22.031 19.868 1.00 25.00 C ATOM 27 C HIS A 82 34.972 -20.851 18.971 1.00 25.00 C ATOM 28 O HIS A 82 33.822 -20.423 18.958 1.00 25.00 O ATOM 29 CB HIS A 82 35.288 -23.343 19.072 1.00 25.00 C ATOM 30 CG HIS A 82 36.514 -23.578 18.243 1.00 25.00 C ATOM 31 ND1 HIS A 82 36.682 -23.131 16.955 1.00 25.00 N ATOM 32 CD2 HIS A 82 37.667 -24.239 18.540 1.00 25.00 C ATOM 33 CE1 HIS A 82 37.888 -23.507 16.539 1.00 25.00 C ATOM 34 NE2 HIS A 82 38.531 -24.189 17.465 1.00 25.00 N ATOM 0 H HIS A 82 33.430 -21.618 20.656 1.00 25.00 H new ATOM 0 HA HIS A 82 36.330 -21.933 20.277 1.00 25.00 H new ATOM 0 HB2 HIS A 82 35.164 -24.175 19.765 1.00 25.00 H new ATOM 0 HB3 HIS A 82 34.415 -23.338 18.420 1.00 25.00 H new ATOM 0 HD2 HIS A 82 37.875 -24.730 19.479 1.00 25.00 H new ATOM 0 HE1 HIS A 82 38.291 -23.281 15.563 1.00 25.00 H new ATOM 0 HE2 HIS A 82 39.465 -24.593 17.401 1.00 25.00 H new ATOM 42 N HIS A 83 35.938 -20.330 18.231 1.00 25.00 N ATOM 43 CA HIS A 83 35.705 -19.210 17.324 1.00 25.00 C ATOM 44 C HIS A 83 36.678 -19.348 16.163 1.00 25.00 C ATOM 45 O HIS A 83 37.581 -20.174 16.216 1.00 25.00 O ATOM 46 CB HIS A 83 35.929 -17.872 18.043 1.00 25.00 C ATOM 47 CG HIS A 83 37.352 -17.639 18.447 1.00 25.00 C ATOM 48 ND1 HIS A 83 37.898 -18.036 19.642 1.00 25.00 N ATOM 49 CD2 HIS A 83 38.368 -17.017 17.788 1.00 25.00 C ATOM 50 CE1 HIS A 83 39.174 -17.661 19.663 1.00 25.00 C ATOM 51 NE2 HIS A 83 39.512 -17.029 18.559 1.00 25.00 N ATOM 0 H HIS A 83 36.901 -20.667 18.239 1.00 25.00 H new ATOM 0 HA HIS A 83 34.675 -19.225 16.968 1.00 25.00 H new ATOM 0 HB2 HIS A 83 35.608 -17.060 17.390 1.00 25.00 H new ATOM 0 HB3 HIS A 83 35.298 -17.836 18.931 1.00 25.00 H new ATOM 0 HD2 HIS A 83 38.290 -16.578 16.804 1.00 25.00 H new ATOM 0 HE1 HIS A 83 39.849 -17.851 20.484 1.00 25.00 H new ATOM 0 HE2 HIS A 83 40.423 -16.634 18.324 1.00 25.00 H new ATOM 59 N HIS A 84 36.498 -18.544 15.127 1.00 25.00 N ATOM 60 CA HIS A 84 37.390 -18.557 13.973 1.00 25.00 C ATOM 61 C HIS A 84 37.620 -17.124 13.517 1.00 25.00 C ATOM 62 O HIS A 84 36.705 -16.474 13.013 1.00 25.00 O ATOM 63 CB HIS A 84 36.775 -19.375 12.834 1.00 25.00 C ATOM 64 CG HIS A 84 37.568 -19.325 11.564 1.00 25.00 C ATOM 65 ND1 HIS A 84 37.432 -18.348 10.610 1.00 25.00 N ATOM 66 CD2 HIS A 84 38.530 -20.158 11.081 1.00 25.00 C ATOM 67 CE1 HIS A 84 38.283 -18.607 9.624 1.00 25.00 C ATOM 68 NE2 HIS A 84 38.984 -19.696 9.861 1.00 25.00 N ATOM 0 H HIS A 84 35.737 -17.868 15.060 1.00 25.00 H new ATOM 0 HA HIS A 84 38.339 -19.016 14.251 1.00 25.00 H new ATOM 0 HB2 HIS A 84 36.681 -20.413 13.153 1.00 25.00 H new ATOM 0 HB3 HIS A 84 35.767 -19.009 12.638 1.00 25.00 H new ATOM 0 HD2 HIS A 84 38.886 -21.048 11.578 1.00 25.00 H new ATOM 0 HE1 HIS A 84 38.387 -17.999 8.737 1.00 25.00 H new ATOM 0 HE2 HIS A 84 39.706 -20.109 9.271 1.00 25.00 H new ATOM 76 N HIS A 85 38.834 -16.629 13.704 1.00 25.00 N ATOM 77 CA HIS A 85 39.189 -15.271 13.302 1.00 25.00 C ATOM 78 C HIS A 85 40.371 -15.336 12.342 1.00 25.00 C ATOM 79 O HIS A 85 41.485 -15.649 12.745 1.00 25.00 O ATOM 80 CB HIS A 85 39.560 -14.426 14.527 1.00 25.00 C ATOM 81 CG HIS A 85 38.431 -14.231 15.494 1.00 25.00 C ATOM 82 ND1 HIS A 85 38.596 -13.891 16.813 1.00 25.00 N ATOM 83 CD2 HIS A 85 37.083 -14.334 15.323 1.00 25.00 C ATOM 84 CE1 HIS A 85 37.393 -13.810 17.376 1.00 25.00 C ATOM 85 NE2 HIS A 85 36.433 -14.076 16.514 1.00 25.00 N ATOM 0 H HIS A 85 39.598 -17.150 14.135 1.00 25.00 H new ATOM 0 HA HIS A 85 38.334 -14.805 12.812 1.00 25.00 H new ATOM 0 HB2 HIS A 85 40.392 -14.902 15.046 1.00 25.00 H new ATOM 0 HB3 HIS A 85 39.910 -13.450 14.191 1.00 25.00 H new ATOM 0 HD2 HIS A 85 36.594 -14.581 14.392 1.00 25.00 H new ATOM 0 HE1 HIS A 85 37.224 -13.557 18.412 1.00 25.00 H new ATOM 0 HE2 HIS A 85 35.428 -14.089 16.688 1.00 25.00 H new ATOM 93 N HIS A 86 40.118 -15.055 11.075 1.00 25.00 N ATOM 94 CA HIS A 86 41.163 -15.060 10.056 1.00 25.00 C ATOM 95 C HIS A 86 40.917 -13.886 9.120 1.00 25.00 C ATOM 96 O HIS A 86 39.870 -13.807 8.482 1.00 25.00 O ATOM 97 CB HIS A 86 41.138 -16.374 9.269 1.00 25.00 C ATOM 98 CG HIS A 86 42.199 -16.463 8.215 1.00 25.00 C ATOM 99 ND1 HIS A 86 42.094 -17.217 7.073 1.00 25.00 N ATOM 100 CD2 HIS A 86 43.425 -15.871 8.133 1.00 25.00 C ATOM 101 CE1 HIS A 86 43.207 -17.058 6.364 1.00 25.00 C ATOM 102 NE2 HIS A 86 44.052 -16.242 6.962 1.00 25.00 N ATOM 0 H HIS A 86 39.191 -14.818 10.722 1.00 25.00 H new ATOM 0 HA HIS A 86 42.142 -14.969 10.528 1.00 25.00 H new ATOM 0 HB2 HIS A 86 41.257 -17.206 9.963 1.00 25.00 H new ATOM 0 HB3 HIS A 86 40.161 -16.488 8.799 1.00 25.00 H new ATOM 0 HD2 HIS A 86 43.844 -15.209 8.876 1.00 25.00 H new ATOM 0 HE1 HIS A 86 43.396 -17.538 5.415 1.00 25.00 H new ATOM 0 HE2 HIS A 86 44.971 -15.948 6.630 1.00 25.00 H new ATOM 110 N HIS A 87 41.865 -12.965 9.068 1.00 25.00 N ATOM 111 CA HIS A 87 41.754 -11.785 8.222 1.00 25.00 C ATOM 112 C HIS A 87 43.163 -11.347 7.864 1.00 25.00 C ATOM 113 O HIS A 87 44.061 -11.424 8.696 1.00 25.00 O ATOM 114 CB HIS A 87 41.037 -10.659 8.981 1.00 25.00 C ATOM 115 CG HIS A 87 40.880 -9.402 8.183 1.00 25.00 C ATOM 116 ND1 HIS A 87 41.834 -8.418 8.086 1.00 25.00 N ATOM 117 CD2 HIS A 87 39.842 -8.961 7.421 1.00 25.00 C ATOM 118 CE1 HIS A 87 41.364 -7.459 7.297 1.00 25.00 C ATOM 119 NE2 HIS A 87 40.154 -7.740 6.858 1.00 25.00 N ATOM 0 H HIS A 87 42.729 -13.012 9.607 1.00 25.00 H new ATOM 0 HA HIS A 87 41.179 -12.011 7.324 1.00 25.00 H new ATOM 0 HB2 HIS A 87 40.052 -11.010 9.288 1.00 25.00 H new ATOM 0 HB3 HIS A 87 41.593 -10.434 9.891 1.00 25.00 H new ATOM 0 HD2 HIS A 87 38.911 -9.489 7.278 1.00 25.00 H new ATOM 0 HE1 HIS A 87 41.907 -6.560 7.046 1.00 25.00 H new ATOM 0 HE2 HIS A 87 39.573 -7.177 6.236 1.00 25.00 H new ATOM 127 N HIS A 88 43.347 -10.874 6.640 1.00 25.00 N ATOM 128 CA HIS A 88 44.635 -10.337 6.205 1.00 25.00 C ATOM 129 C HIS A 88 44.394 -9.069 5.389 1.00 25.00 C ATOM 130 O HIS A 88 44.666 -7.973 5.867 1.00 25.00 O ATOM 131 CB HIS A 88 45.405 -11.388 5.394 1.00 25.00 C ATOM 132 CG HIS A 88 46.793 -10.963 5.027 1.00 25.00 C ATOM 133 ND1 HIS A 88 47.866 -11.007 5.879 1.00 25.00 N ATOM 134 CD2 HIS A 88 47.290 -10.473 3.858 1.00 25.00 C ATOM 135 CE1 HIS A 88 48.937 -10.563 5.224 1.00 25.00 C ATOM 136 NE2 HIS A 88 48.644 -10.230 3.983 1.00 25.00 N ATOM 0 H HIS A 88 42.619 -10.850 5.925 1.00 25.00 H new ATOM 0 HA HIS A 88 45.244 -10.085 7.073 1.00 25.00 H new ATOM 0 HB2 HIS A 88 45.457 -12.312 5.969 1.00 25.00 H new ATOM 0 HB3 HIS A 88 44.849 -11.611 4.483 1.00 25.00 H new ATOM 0 HD2 HIS A 88 46.710 -10.300 2.963 1.00 25.00 H new ATOM 0 HE1 HIS A 88 49.924 -10.485 5.656 1.00 25.00 H new ATOM 0 HE2 HIS A 88 49.279 -9.871 3.270 1.00 25.00 H new ATOM 144 N HIS A 89 43.808 -9.243 4.202 1.00 25.00 N ATOM 145 CA HIS A 89 43.490 -8.149 3.263 1.00 25.00 C ATOM 146 C HIS A 89 44.770 -7.442 2.777 1.00 25.00 C ATOM 147 O HIS A 89 45.863 -7.761 3.219 1.00 25.00 O ATOM 148 CB HIS A 89 42.491 -7.163 3.898 1.00 25.00 C ATOM 149 CG HIS A 89 41.790 -6.287 2.908 1.00 25.00 C ATOM 150 ND1 HIS A 89 41.933 -4.924 2.845 1.00 25.00 N ATOM 151 CD2 HIS A 89 40.911 -6.597 1.916 1.00 25.00 C ATOM 152 CE1 HIS A 89 41.168 -4.471 1.857 1.00 25.00 C ATOM 153 NE2 HIS A 89 40.531 -5.450 1.248 1.00 25.00 N ATOM 0 H HIS A 89 43.534 -10.162 3.854 1.00 25.00 H new ATOM 0 HA HIS A 89 43.012 -8.579 2.383 1.00 25.00 H new ATOM 0 HB2 HIS A 89 41.747 -7.727 4.460 1.00 25.00 H new ATOM 0 HB3 HIS A 89 43.021 -6.534 4.613 1.00 25.00 H new ATOM 0 HD2 HIS A 89 40.562 -7.593 1.686 1.00 25.00 H new ATOM 0 HE1 HIS A 89 41.080 -3.429 1.587 1.00 25.00 H new ATOM 0 HE2 HIS A 89 39.894 -5.377 0.454 1.00 25.00 H new ATOM 161 N HIS A 90 44.634 -6.532 1.821 1.00 25.00 N ATOM 162 CA HIS A 90 45.792 -5.835 1.255 1.00 25.00 C ATOM 163 C HIS A 90 45.532 -4.338 1.082 1.00 25.00 C ATOM 164 O HIS A 90 46.063 -3.532 1.836 1.00 25.00 O ATOM 165 CB HIS A 90 46.182 -6.462 -0.095 1.00 0.00 C ATOM 166 CG HIS A 90 46.509 -7.921 -0.011 1.00 25.00 C ATOM 167 ND1 HIS A 90 47.553 -8.443 0.711 1.00 25.00 N ATOM 168 CD2 HIS A 90 45.899 -8.999 -0.577 1.00 25.00 C ATOM 169 CE1 HIS A 90 47.542 -9.764 0.565 1.00 25.00 C ATOM 170 NE2 HIS A 90 46.549 -10.160 -0.206 1.00 25.00 N ATOM 0 H HIS A 90 43.738 -6.257 1.419 1.00 25.00 H new ATOM 0 HA HIS A 90 46.616 -5.947 1.960 1.00 25.00 H new ATOM 0 HB2 HIS A 90 45.363 -6.323 -0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 90 47.043 -5.929 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 90 45.034 -8.953 -1.222 1.00 25.00 H new ATOM 0 HE1 HIS A 90 48.258 -10.431 1.022 1.00 25.00 H new ATOM 0 HE2 HIS A 90 46.312 -11.116 -0.471 1.00 25.00 H new ATOM 178 N HIS A 91 44.702 -3.989 0.096 1.00 25.00 N ATOM 179 CA HIS A 91 44.426 -2.589 -0.270 1.00 25.00 C ATOM 180 C HIS A 91 45.745 -1.887 -0.654 1.00 25.00 C ATOM 181 O HIS A 91 46.739 -2.560 -0.919 1.00 25.00 O ATOM 182 CB HIS A 91 43.694 -1.861 0.878 1.00 25.00 C ATOM 183 CG HIS A 91 42.946 -0.639 0.441 1.00 25.00 C ATOM 184 ND1 HIS A 91 43.226 0.635 0.875 1.00 25.00 N ATOM 185 CD2 HIS A 91 41.900 -0.498 -0.419 1.00 25.00 C ATOM 186 CE1 HIS A 91 42.377 1.469 0.284 1.00 25.00 C ATOM 187 NE2 HIS A 91 41.550 0.833 -0.520 1.00 25.00 N ATOM 0 H HIS A 91 44.199 -4.668 -0.475 1.00 25.00 H new ATOM 0 HA HIS A 91 43.764 -2.561 -1.136 1.00 25.00 H new ATOM 0 HB2 HIS A 91 42.996 -2.554 1.348 1.00 25.00 H new ATOM 0 HB3 HIS A 91 44.422 -1.577 1.638 1.00 25.00 H new ATOM 0 HD2 HIS A 91 41.416 -1.308 -0.944 1.00 25.00 H new ATOM 0 HE1 HIS A 91 42.366 2.537 0.443 1.00 25.00 H new ATOM 0 HE2 HIS A 91 40.810 1.237 -1.094 1.00 25.00 H new ATOM 195 N SER A 92 45.726 -0.556 -0.717 1.00 25.00 N ATOM 196 CA SER A 92 46.915 0.266 -1.004 1.00 25.00 C ATOM 197 C SER A 92 47.701 -0.210 -2.227 1.00 25.00 C ATOM 198 O SER A 92 48.926 -0.225 -2.232 1.00 25.00 O ATOM 199 CB SER A 92 47.823 0.276 0.226 1.00 25.00 C ATOM 200 OG SER A 92 47.073 0.631 1.382 1.00 25.00 O ATOM 0 H SER A 92 44.879 -0.007 -0.570 1.00 25.00 H new ATOM 0 HA SER A 92 46.564 1.271 -1.237 1.00 25.00 H new ATOM 0 HB2 SER A 92 48.274 -0.707 0.363 1.00 25.00 H new ATOM 0 HB3 SER A 92 48.639 0.984 0.080 1.00 25.00 H new ATOM 0 HG SER A 92 47.661 0.633 2.166 1.00 25.00 H new ATOM 206 N SER A 93 46.976 -0.658 -3.241 1.00 25.00 N ATOM 207 CA SER A 93 47.590 -1.271 -4.408 1.00 25.00 C ATOM 208 C SER A 93 48.218 -0.256 -5.356 1.00 25.00 C ATOM 209 O SER A 93 47.549 0.648 -5.850 1.00 25.00 O ATOM 210 CB SER A 93 46.528 -2.079 -5.143 1.00 25.00 C ATOM 211 OG SER A 93 45.834 -2.899 -4.215 1.00 25.00 O ATOM 0 H SER A 93 45.958 -0.608 -3.278 1.00 25.00 H new ATOM 0 HA SER A 93 48.402 -1.910 -4.061 1.00 25.00 H new ATOM 0 HB2 SER A 93 45.830 -1.410 -5.647 1.00 25.00 H new ATOM 0 HB3 SER A 93 46.992 -2.695 -5.913 1.00 25.00 H new ATOM 0 HG SER A 93 45.149 -3.418 -4.686 1.00 25.00 H new ATOM 217 N GLY A 94 49.503 -0.433 -5.623 1.00 25.00 N ATOM 218 CA GLY A 94 50.224 0.424 -6.543 1.00 25.00 C ATOM 219 C GLY A 94 51.658 -0.056 -6.555 1.00 25.00 C ATOM 220 O GLY A 94 52.016 -0.883 -5.722 1.00 25.00 O ATOM 0 H GLY A 94 50.071 -1.172 -5.209 1.00 25.00 H new ATOM 0 HA2 GLY A 94 49.790 0.371 -7.542 1.00 25.00 H new ATOM 0 HA3 GLY A 94 50.168 1.465 -6.226 1.00 25.00 H new ATOM 224 N HIS A 95 52.470 0.436 -7.482 1.00 25.00 N ATOM 225 CA HIS A 95 53.882 0.039 -7.554 1.00 25.00 C ATOM 226 C HIS A 95 54.811 1.252 -7.698 1.00 25.00 C ATOM 227 O HIS A 95 56.019 1.118 -7.620 1.00 25.00 O ATOM 228 CB HIS A 95 54.082 -0.942 -8.718 1.00 25.00 C ATOM 229 CG HIS A 95 55.389 -1.673 -8.673 1.00 25.00 C ATOM 230 ND1 HIS A 95 55.809 -2.437 -7.611 1.00 25.00 N ATOM 231 CD2 HIS A 95 56.402 -1.750 -9.584 1.00 25.00 C ATOM 232 CE1 HIS A 95 57.009 -2.930 -7.901 1.00 25.00 C ATOM 233 NE2 HIS A 95 57.417 -2.550 -9.093 1.00 25.00 N ATOM 0 H HIS A 95 52.183 1.108 -8.194 1.00 25.00 H new ATOM 0 HA HIS A 95 54.145 -0.453 -6.618 1.00 25.00 H new ATOM 0 HB2 HIS A 95 53.269 -1.668 -8.713 1.00 25.00 H new ATOM 0 HB3 HIS A 95 54.014 -0.395 -9.658 1.00 25.00 H new ATOM 0 HD2 HIS A 95 56.410 -1.259 -10.546 1.00 25.00 H new ATOM 0 HE1 HIS A 95 57.579 -3.565 -7.239 1.00 25.00 H new ATOM 0 HE2 HIS A 95 58.293 -2.793 -9.555 1.00 25.00 H new ATOM 241 N ILE A 96 54.214 2.433 -7.862 1.00 25.00 N ATOM 242 CA ILE A 96 54.959 3.699 -8.004 1.00 25.00 C ATOM 243 C ILE A 96 55.962 3.563 -9.166 1.00 25.00 C ATOM 244 O ILE A 96 57.153 3.822 -9.040 1.00 25.00 O ATOM 245 CB ILE A 96 55.663 4.146 -6.658 1.00 25.00 C ATOM 246 CG1 ILE A 96 54.726 3.901 -5.447 1.00 25.00 C ATOM 247 CG2 ILE A 96 56.036 5.663 -6.724 1.00 25.00 C ATOM 248 CD1 ILE A 96 55.363 4.193 -4.074 1.00 25.00 C ATOM 0 H ILE A 96 53.201 2.546 -7.901 1.00 25.00 H new ATOM 0 HA ILE A 96 54.251 4.495 -8.235 1.00 25.00 H new ATOM 0 HB ILE A 96 56.569 3.553 -6.533 1.00 25.00 H new ATOM 0 HG12 ILE A 96 53.838 4.522 -5.560 1.00 25.00 H new ATOM 0 HG13 ILE A 96 54.394 2.863 -5.465 1.00 25.00 H new ATOM 0 HG21 ILE A 96 56.519 5.960 -5.793 1.00 25.00 H new ATOM 0 HG22 ILE A 96 56.717 5.834 -7.557 1.00 25.00 H new ATOM 0 HG23 ILE A 96 55.132 6.254 -6.867 1.00 25.00 H new ATOM 0 HD11 ILE A 96 54.636 3.994 -3.286 1.00 25.00 H new ATOM 0 HD12 ILE A 96 56.234 3.553 -3.934 1.00 25.00 H new ATOM 0 HD13 ILE A 96 55.669 5.238 -4.030 1.00 25.00 H new ATOM 260 N GLU A 97 55.443 3.107 -10.297 1.00 25.00 N ATOM 261 CA GLU A 97 56.255 2.887 -11.490 1.00 25.00 C ATOM 262 C GLU A 97 56.738 4.214 -12.063 1.00 25.00 C ATOM 263 O GLU A 97 55.998 5.198 -12.081 1.00 25.00 O ATOM 264 CB GLU A 97 55.427 2.161 -12.551 1.00 25.00 C ATOM 265 CG GLU A 97 55.025 0.756 -12.145 1.00 25.00 C ATOM 266 CD GLU A 97 55.619 -0.299 -13.057 1.00 25.00 C ATOM 267 OE1 GLU A 97 56.862 -0.396 -13.128 1.00 25.00 O ATOM 268 OE2 GLU A 97 54.841 -1.037 -13.697 1.00 25.00 O1- ATOM 0 H GLU A 97 54.456 2.880 -10.416 1.00 25.00 H new ATOM 0 HA GLU A 97 57.118 2.283 -11.211 1.00 25.00 H new ATOM 0 HB2 GLU A 97 54.529 2.742 -12.760 1.00 25.00 H new ATOM 0 HB3 GLU A 97 55.999 2.114 -13.478 1.00 25.00 H new ATOM 0 HG2 GLU A 97 55.347 0.570 -11.120 1.00 25.00 H new ATOM 0 HG3 GLU A 97 53.938 0.674 -12.157 1.00 25.00 H new ATOM 275 N GLY A 98 57.971 4.229 -12.543 1.00 25.00 N ATOM 276 CA GLY A 98 58.556 5.431 -13.106 1.00 25.00 C ATOM 277 C GLY A 98 60.042 5.434 -12.839 1.00 25.00 C ATOM 278 O GLY A 98 60.592 4.428 -12.391 1.00 25.00 O ATOM 0 H GLY A 98 58.588 3.416 -12.553 1.00 25.00 H new ATOM 0 HA2 GLY A 98 58.367 5.473 -14.179 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.094 6.315 -12.666 1.00 25.00 H new ATOM 282 N ARG A 99 60.702 6.553 -13.099 1.00 25.00 N ATOM 283 CA ARG A 99 62.131 6.682 -12.818 1.00 25.00 C ATOM 284 C ARG A 99 62.429 8.111 -12.419 1.00 25.00 C ATOM 285 O ARG A 99 62.431 9.002 -13.251 1.00 25.00 O ATOM 286 CB ARG A 99 62.968 6.292 -14.040 1.00 25.00 C ATOM 287 CG ARG A 99 64.459 6.289 -13.747 1.00 25.00 C ATOM 288 CD ARG A 99 65.257 5.792 -14.937 1.00 25.00 C ATOM 289 NE ARG A 99 66.695 5.740 -14.619 1.00 25.00 N ATOM 290 CZ ARG A 99 67.311 4.737 -14.001 1.00 25.00 C ATOM 291 NH1 ARG A 99 66.680 3.655 -13.609 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 68.592 4.826 -13.772 1.00 25.00 N ATOM 0 H ARG A 99 60.275 7.386 -13.504 1.00 25.00 H new ATOM 0 HA ARG A 99 62.393 6.007 -12.003 1.00 25.00 H new ATOM 0 HB2 ARG A 99 62.666 5.302 -14.382 1.00 25.00 H new ATOM 0 HB3 ARG A 99 62.762 6.987 -14.854 1.00 25.00 H new ATOM 0 HG2 ARG A 99 64.782 7.297 -13.486 1.00 25.00 H new ATOM 0 HG3 ARG A 99 64.660 5.656 -12.883 1.00 25.00 H new ATOM 0 HD2 ARG A 99 64.908 4.801 -15.226 1.00 25.00 H new ATOM 0 HD3 ARG A 99 65.092 6.449 -15.791 1.00 25.00 H new ATOM 0 HE ARG A 99 67.265 6.539 -14.896 1.00 25.00 H new ATOM 0 HH11 ARG A 99 65.678 3.560 -13.775 1.00 25.00 H new ATOM 0 HH12 ARG A 99 67.191 2.909 -13.138 1.00 25.00 H new ATOM 0 HH21 ARG A 99 69.106 5.656 -14.066 1.00 25.00 H new ATOM 0 HH22 ARG A 99 69.080 4.065 -13.299 1.00 25.00 H new ATOM 306 N HIS A 100 62.666 8.316 -11.137 1.00 25.00 N ATOM 307 CA HIS A 100 62.945 9.640 -10.603 1.00 25.00 C ATOM 308 C HIS A 100 64.094 9.496 -9.627 1.00 25.00 C ATOM 309 O HIS A 100 64.443 8.380 -9.245 1.00 25.00 O ATOM 310 CB HIS A 100 61.704 10.197 -9.901 1.00 25.00 C ATOM 311 CG HIS A 100 60.508 10.288 -10.796 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.448 11.055 -11.932 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.298 9.668 -10.725 1.00 25.00 C ATOM 314 CE1 HIS A 100 59.255 10.882 -12.490 1.00 25.00 C ATOM 315 NE2 HIS A 100 58.511 10.045 -11.795 1.00 25.00 N ATOM 0 H HIS A 100 62.671 7.574 -10.437 1.00 25.00 H new ATOM 0 HA HIS A 100 63.209 10.335 -11.400 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.463 9.563 -9.047 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.931 11.188 -9.508 1.00 25.00 H new ATOM 0 HD2 HIS A 100 58.998 8.982 -9.946 1.00 25.00 H new ATOM 0 HE1 HIS A 100 58.934 11.367 -13.400 1.00 25.00 H new ATOM 0 HE2 HIS A 100 57.560 9.741 -12.003 1.00 25.00 H new ATOM 323 N MET A 101 64.663 10.616 -9.222 1.00 25.00 N ATOM 324 CA MET A 101 65.769 10.639 -8.277 1.00 25.00 C ATOM 325 C MET A 101 65.358 11.503 -7.101 1.00 25.00 C ATOM 326 O MET A 101 64.414 12.286 -7.204 1.00 25.00 O ATOM 327 CB MET A 101 67.016 11.235 -8.935 1.00 25.00 C ATOM 328 CG MET A 101 67.439 10.528 -10.216 1.00 25.00 C ATOM 329 SD MET A 101 69.042 11.101 -10.824 1.00 25.00 S ATOM 330 CE MET A 101 68.761 12.898 -11.020 1.00 25.00 C ATOM 0 H MET A 101 64.371 11.540 -9.539 1.00 25.00 H new ATOM 0 HA MET A 101 66.002 9.625 -7.951 1.00 25.00 H new ATOM 0 HB2 MET A 101 66.830 12.286 -9.157 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.841 11.200 -8.224 1.00 25.00 H new ATOM 0 HG2 MET A 101 67.485 9.454 -10.037 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.683 10.691 -10.984 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.386 13.278 -11.828 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.712 13.079 -11.257 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.017 13.410 -10.092 1.00 25.00 H new ATOM 340 N LEU A 102 66.082 11.383 -6.002 1.00 25.00 N ATOM 341 CA LEU A 102 65.851 12.210 -4.827 1.00 25.00 C ATOM 342 C LEU A 102 67.176 12.884 -4.514 1.00 25.00 C ATOM 343 O LEU A 102 68.197 12.207 -4.411 1.00 25.00 O ATOM 344 CB LEU A 102 65.398 11.345 -3.642 1.00 25.00 C ATOM 345 CG LEU A 102 64.957 12.121 -2.388 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.531 12.656 -2.548 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.027 11.217 -1.161 1.00 25.00 C ATOM 0 H LEU A 102 66.844 10.713 -5.897 1.00 25.00 H new ATOM 0 HA LEU A 102 65.066 12.944 -5.009 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.570 10.716 -3.969 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.216 10.679 -3.367 1.00 25.00 H new ATOM 0 HG LEU A 102 65.634 12.966 -2.258 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.244 13.200 -1.648 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.488 13.326 -3.407 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.845 11.823 -2.703 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.713 11.776 -0.279 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.368 10.361 -1.302 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.051 10.868 -1.024 1.00 25.00 H new ATOM 359 N LEU A 103 67.165 14.202 -4.387 1.00 25.00 N ATOM 360 CA LEU A 103 68.376 14.960 -4.073 1.00 25.00 C ATOM 361 C LEU A 103 68.148 15.710 -2.788 1.00 25.00 C ATOM 362 O LEU A 103 67.050 16.196 -2.543 1.00 25.00 O ATOM 363 CB LEU A 103 68.703 15.969 -5.178 1.00 25.00 C ATOM 364 CG LEU A 103 69.180 15.402 -6.520 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.393 16.548 -7.491 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.476 14.630 -6.366 1.00 25.00 C ATOM 0 H LEU A 103 66.328 14.775 -4.496 1.00 25.00 H new ATOM 0 HA LEU A 103 69.210 14.264 -3.983 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.813 16.570 -5.362 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.472 16.644 -4.803 1.00 25.00 H new ATOM 0 HG LEU A 103 68.420 14.717 -6.895 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.733 16.155 -8.449 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.455 17.085 -7.631 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.145 17.229 -7.091 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.786 14.242 -7.336 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.250 15.292 -5.976 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.326 13.801 -5.675 1.00 25.00 H new ATOM 378 N THR A 104 69.182 15.817 -1.975 1.00 25.00 N ATOM 379 CA THR A 104 69.090 16.542 -0.718 1.00 25.00 C ATOM 380 C THR A 104 69.648 17.941 -0.949 1.00 25.00 C ATOM 381 O THR A 104 70.573 18.127 -1.726 1.00 25.00 O ATOM 382 CB THR A 104 69.860 15.793 0.390 1.00 25.00 C ATOM 383 OG1 THR A 104 69.411 14.436 0.427 1.00 25.00 O ATOM 384 CG2 THR A 104 69.623 16.400 1.764 1.00 25.00 C ATOM 0 H THR A 104 70.099 15.410 -2.162 1.00 25.00 H new ATOM 0 HA THR A 104 68.055 16.615 -0.386 1.00 25.00 H new ATOM 0 HB THR A 104 70.923 15.864 0.158 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.895 13.950 1.127 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.185 15.840 2.511 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.954 17.439 1.765 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.560 16.357 2.002 1.00 25.00 H new ATOM 392 N VAL A 105 69.057 18.934 -0.313 1.00 25.00 N ATOM 393 CA VAL A 105 69.489 20.315 -0.453 1.00 25.00 C ATOM 394 C VAL A 105 69.766 20.835 0.948 1.00 25.00 C ATOM 395 O VAL A 105 68.909 20.741 1.825 1.00 25.00 O ATOM 396 CB VAL A 105 68.380 21.167 -1.114 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.853 22.611 -1.347 1.00 25.00 C ATOM 398 CG2 VAL A 105 67.920 20.541 -2.446 1.00 25.00 C ATOM 0 H VAL A 105 68.264 18.808 0.316 1.00 25.00 H new ATOM 0 HA VAL A 105 70.376 20.376 -1.083 1.00 25.00 H new ATOM 0 HB VAL A 105 67.533 21.187 -0.428 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.052 23.185 -1.813 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.118 23.066 -0.392 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.725 22.607 -2.001 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.140 21.160 -2.889 1.00 25.00 H new ATOM 0 HG22 VAL A 105 68.766 20.479 -3.130 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.528 19.541 -2.262 1.00 25.00 H new ATOM 408 N TYR A 106 70.963 21.360 1.168 1.00 25.00 N ATOM 409 CA TYR A 106 71.342 21.924 2.462 1.00 25.00 C ATOM 410 C TYR A 106 71.503 23.429 2.290 1.00 25.00 C ATOM 411 O TYR A 106 72.433 23.895 1.632 1.00 25.00 O ATOM 412 CB TYR A 106 72.641 21.276 2.951 1.00 25.00 C ATOM 413 CG TYR A 106 72.863 21.396 4.448 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.960 22.656 5.079 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.980 20.238 5.246 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.171 22.753 6.483 1.00 25.00 C ATOM 417 CE2 TYR A 106 73.200 20.336 6.646 1.00 25.00 C ATOM 418 CZ TYR A 106 73.295 21.592 7.249 1.00 25.00 C ATOM 419 OH TYR A 106 73.513 21.674 8.599 1.00 25.00 O ATOM 0 H TYR A 106 71.697 21.409 0.461 1.00 25.00 H new ATOM 0 HA TYR A 106 70.576 21.726 3.211 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.634 20.221 2.678 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.482 21.734 2.431 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.873 23.556 4.489 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.901 19.264 4.786 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.235 23.722 6.955 1.00 25.00 H new ATOM 0 HE2 TYR A 106 73.294 19.441 7.243 1.00 25.00 H new ATOM 0 HH TYR A 106 73.430 22.607 8.888 1.00 25.00 H new ATOM 429 N CYS A 107 70.568 24.187 2.835 1.00 25.00 N ATOM 430 CA CYS A 107 70.558 25.634 2.687 1.00 25.00 C ATOM 431 C CYS A 107 71.118 26.292 3.931 1.00 25.00 C ATOM 432 O CYS A 107 70.560 26.159 5.006 1.00 25.00 O ATOM 433 CB CYS A 107 69.128 26.110 2.452 1.00 25.00 C ATOM 434 SG CYS A 107 68.416 25.388 0.973 1.00 25.00 S ATOM 0 H CYS A 107 69.796 23.820 3.391 1.00 25.00 H new ATOM 0 HA CYS A 107 71.180 25.909 1.835 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.513 25.851 3.314 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.117 27.197 2.367 1.00 25.00 H new ATOM 0 HG CYS A 107 67.288 25.975 0.704 1.00 25.00 H new ATOM 440 N VAL A 108 72.220 27.004 3.776 1.00 25.00 N ATOM 441 CA VAL A 108 72.893 27.656 4.892 1.00 25.00 C ATOM 442 C VAL A 108 72.653 29.158 4.846 1.00 25.00 C ATOM 443 O VAL A 108 72.855 29.802 3.810 1.00 25.00 O ATOM 444 CB VAL A 108 74.427 27.380 4.856 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.130 27.985 6.088 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.698 25.870 4.806 1.00 25.00 C ATOM 0 H VAL A 108 72.676 27.148 2.875 1.00 25.00 H new ATOM 0 HA VAL A 108 72.482 27.247 5.815 1.00 25.00 H new ATOM 0 HB VAL A 108 74.827 27.851 3.958 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.199 27.777 6.036 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.971 29.063 6.105 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.718 27.543 6.995 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.773 25.694 4.781 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.273 25.395 5.690 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.241 25.448 3.911 1.00 25.00 H new ATOM 456 N ARG A 109 72.261 29.719 5.980 1.00 25.00 N ATOM 457 CA ARG A 109 72.105 31.160 6.132 1.00 25.00 C ATOM 458 C ARG A 109 73.053 31.569 7.235 1.00 25.00 C ATOM 459 O ARG A 109 73.281 30.803 8.160 1.00 25.00 O ATOM 460 CB ARG A 109 70.676 31.509 6.524 1.00 25.00 C ATOM 461 CG ARG A 109 69.639 31.194 5.437 1.00 25.00 C ATOM 462 CD ARG A 109 68.281 31.805 5.767 1.00 25.00 C ATOM 463 NE ARG A 109 68.352 33.277 5.760 1.00 25.00 N ATOM 464 CZ ARG A 109 67.628 34.093 6.517 1.00 25.00 C ATOM 465 NH1 ARG A 109 66.736 33.657 7.371 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 67.820 35.379 6.416 1.00 25.00 N ATOM 0 H ARG A 109 72.041 29.188 6.823 1.00 25.00 H new ATOM 0 HA ARG A 109 72.321 31.677 5.197 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.415 30.963 7.431 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.625 32.571 6.765 1.00 25.00 H new ATOM 0 HG2 ARG A 109 69.988 31.577 4.478 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.537 30.114 5.332 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.540 31.469 5.041 1.00 25.00 H new ATOM 0 HD3 ARG A 109 67.949 31.457 6.745 1.00 25.00 H new ATOM 0 HE ARG A 109 69.016 33.707 5.117 1.00 25.00 H new ATOM 0 HH11 ARG A 109 66.576 32.655 7.474 1.00 25.00 H new ATOM 0 HH12 ARG A 109 66.202 34.319 7.933 1.00 25.00 H new ATOM 0 HH21 ARG A 109 68.516 35.741 5.764 1.00 25.00 H new ATOM 0 HH22 ARG A 109 67.274 36.023 6.989 1.00 25.00 H new ATOM 480 N ARG A 110 73.617 32.765 7.141 1.00 25.00 N ATOM 481 CA ARG A 110 74.619 33.208 8.122 1.00 25.00 C ATOM 482 C ARG A 110 74.111 33.329 9.553 1.00 25.00 C ATOM 483 O ARG A 110 74.900 33.284 10.482 1.00 25.00 O ATOM 484 CB ARG A 110 75.216 34.557 7.719 1.00 25.00 C ATOM 485 CG ARG A 110 76.093 34.502 6.474 1.00 25.00 C ATOM 486 CD ARG A 110 76.920 35.779 6.336 1.00 25.00 C ATOM 487 NE ARG A 110 77.898 35.901 7.434 1.00 25.00 N ATOM 488 CZ ARG A 110 78.728 36.922 7.618 1.00 25.00 C ATOM 489 NH1 ARG A 110 78.764 37.951 6.806 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 79.536 36.906 8.643 1.00 25.00 N ATOM 0 H ARG A 110 73.407 33.444 6.409 1.00 25.00 H new ATOM 0 HA ARG A 110 75.368 32.416 8.111 1.00 25.00 H new ATOM 0 HB2 ARG A 110 74.405 35.265 7.548 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.807 34.944 8.550 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.756 33.638 6.528 1.00 25.00 H new ATOM 0 HG3 ARG A 110 75.469 34.370 5.590 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.442 35.776 5.379 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.259 36.646 6.336 1.00 25.00 H new ATOM 0 HE ARG A 110 77.940 35.137 8.109 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.140 37.986 6.000 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.416 38.716 6.981 1.00 25.00 H new ATOM 0 HH21 ARG A 110 79.524 36.117 9.289 1.00 25.00 H new ATOM 0 HH22 ARG A 110 80.179 37.683 8.798 1.00 25.00 H new ATOM 504 N ASP A 111 72.812 33.501 9.720 1.00 25.00 N ATOM 505 CA ASP A 111 72.217 33.714 11.045 1.00 25.00 C ATOM 506 C ASP A 111 71.766 32.395 11.693 1.00 25.00 C ATOM 507 O ASP A 111 70.769 32.348 12.401 1.00 25.00 O ATOM 508 CB ASP A 111 71.027 34.671 10.894 1.00 25.00 C ATOM 509 CG ASP A 111 70.713 35.427 12.176 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.620 35.587 13.020 1.00 25.00 O ATOM 511 OD2 ASP A 111 69.594 35.973 12.270 1.00 25.00 O1- ATOM 0 H ASP A 111 72.138 33.499 8.955 1.00 25.00 H new ATOM 0 HA ASP A 111 72.971 34.145 11.703 1.00 25.00 H new ATOM 0 HB2 ASP A 111 71.240 35.386 10.099 1.00 25.00 H new ATOM 0 HB3 ASP A 111 70.148 34.105 10.587 1.00 25.00 H new ATOM 516 N LEU A 112 72.472 31.313 11.358 1.00 25.00 N ATOM 517 CA LEU A 112 72.170 29.942 11.831 1.00 25.00 C ATOM 518 C LEU A 112 70.724 29.531 11.536 1.00 25.00 C ATOM 519 O LEU A 112 70.155 28.661 12.177 1.00 25.00 O ATOM 520 CB LEU A 112 72.471 29.789 13.332 1.00 25.00 C ATOM 521 CG LEU A 112 73.922 30.062 13.766 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.015 29.995 15.289 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.899 29.051 13.145 1.00 25.00 C ATOM 0 H LEU A 112 73.284 31.355 10.742 1.00 25.00 H new ATOM 0 HA LEU A 112 72.824 29.272 11.274 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.816 30.464 13.883 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.209 28.774 13.632 1.00 25.00 H new ATOM 0 HG LEU A 112 74.200 31.055 13.414 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.042 30.188 15.600 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.356 30.745 15.727 1.00 25.00 H new ATOM 0 HD13 LEU A 112 73.713 29.004 15.629 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.913 29.276 13.474 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.630 28.043 13.461 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.848 29.116 12.058 1.00 25.00 H new ATOM 535 N SER A 113 70.160 30.157 10.518 1.00 25.00 N ATOM 536 CA SER A 113 68.786 29.910 10.081 1.00 25.00 C ATOM 537 C SER A 113 68.775 28.833 9.002 1.00 25.00 C ATOM 538 O SER A 113 67.966 28.869 8.079 1.00 25.00 O ATOM 539 CB SER A 113 68.175 31.198 9.550 1.00 25.00 C ATOM 540 OG SER A 113 68.308 32.252 10.485 1.00 25.00 O ATOM 0 H SER A 113 70.644 30.861 9.961 1.00 25.00 H new ATOM 0 HA SER A 113 68.193 29.565 10.928 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.661 31.475 8.614 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.120 31.038 9.326 1.00 25.00 H new ATOM 0 HG SER A 113 67.908 33.068 10.117 1.00 25.00 H new ATOM 546 N GLU A 114 69.795 27.992 9.033 1.00 25.00 N ATOM 547 CA GLU A 114 69.998 26.966 8.020 1.00 25.00 C ATOM 548 C GLU A 114 68.982 25.826 8.150 1.00 25.00 C ATOM 549 O GLU A 114 68.414 25.599 9.217 1.00 25.00 O ATOM 550 CB GLU A 114 71.434 26.435 8.111 1.00 25.00 C ATOM 551 CG GLU A 114 71.817 25.771 9.422 1.00 25.00 C ATOM 552 CD GLU A 114 73.299 25.434 9.443 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.120 26.378 9.383 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.649 24.235 9.436 1.00 25.00 O1- ATOM 0 H GLU A 114 70.508 28.000 9.762 1.00 25.00 H new ATOM 0 HA GLU A 114 69.842 27.416 7.040 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.586 25.717 7.305 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.119 27.264 7.933 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.578 26.434 10.254 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.231 24.862 9.560 1.00 25.00 H new ATOM 561 N VAL A 115 68.728 25.144 7.042 1.00 25.00 N ATOM 562 CA VAL A 115 67.723 24.087 6.980 1.00 25.00 C ATOM 563 C VAL A 115 68.159 23.121 5.881 1.00 25.00 C ATOM 564 O VAL A 115 68.879 23.511 4.965 1.00 25.00 O ATOM 565 CB VAL A 115 66.296 24.699 6.672 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.239 25.332 5.263 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.179 23.650 6.829 1.00 25.00 C ATOM 0 H VAL A 115 69.212 25.307 6.159 1.00 25.00 H new ATOM 0 HA VAL A 115 67.644 23.564 7.933 1.00 25.00 H new ATOM 0 HB VAL A 115 66.129 25.486 7.408 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.244 25.741 5.088 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.977 26.131 5.193 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.455 24.571 4.513 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.215 24.109 6.609 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.354 22.826 6.138 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.176 23.272 7.851 1.00 25.00 H new ATOM 577 N THR A 116 67.725 21.874 5.948 1.00 25.00 N ATOM 578 CA THR A 116 68.010 20.922 4.886 1.00 25.00 C ATOM 579 C THR A 116 66.736 20.137 4.618 1.00 25.00 C ATOM 580 O THR A 116 65.912 19.955 5.518 1.00 25.00 O ATOM 581 CB THR A 116 69.221 20.001 5.231 1.00 25.00 C ATOM 582 OG1 THR A 116 69.539 19.178 4.105 1.00 25.00 O ATOM 583 CG2 THR A 116 68.940 19.100 6.426 1.00 25.00 C ATOM 0 H THR A 116 67.177 21.498 6.722 1.00 25.00 H new ATOM 0 HA THR A 116 68.311 21.450 3.981 1.00 25.00 H new ATOM 0 HB THR A 116 70.057 20.654 5.484 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.325 19.658 3.278 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.813 18.478 6.626 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.723 19.713 7.301 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.083 18.463 6.208 1.00 25.00 H new ATOM 591 N PHE A 117 66.543 19.747 3.368 1.00 25.00 N ATOM 592 CA PHE A 117 65.331 19.055 2.931 1.00 25.00 C ATOM 593 C PHE A 117 65.704 18.258 1.693 1.00 25.00 C ATOM 594 O PHE A 117 66.826 18.373 1.218 1.00 25.00 O ATOM 595 CB PHE A 117 64.217 20.068 2.617 1.00 25.00 C ATOM 596 CG PHE A 117 64.640 21.174 1.684 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.601 20.994 0.289 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.056 22.417 2.201 1.00 25.00 C ATOM 599 CE1 PHE A 117 64.974 22.044 -0.590 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.430 23.474 1.336 1.00 25.00 C ATOM 601 CZ PHE A 117 65.389 23.288 -0.063 1.00 25.00 C ATOM 0 H PHE A 117 67.222 19.900 2.622 1.00 25.00 H new ATOM 0 HA PHE A 117 64.951 18.397 3.712 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.372 19.539 2.177 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.866 20.508 3.551 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.283 20.045 -0.118 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.090 22.565 3.270 1.00 25.00 H new ATOM 0 HE1 PHE A 117 64.941 21.893 -1.659 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.746 24.422 1.746 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.673 24.091 -0.726 1.00 25.00 H new ATOM 611 N SER A 118 64.783 17.470 1.158 1.00 25.00 N ATOM 612 CA SER A 118 65.052 16.692 -0.051 1.00 25.00 C ATOM 613 C SER A 118 63.947 16.921 -1.066 1.00 25.00 C ATOM 614 O SER A 118 62.805 17.163 -0.695 1.00 25.00 O ATOM 615 CB SER A 118 65.160 15.202 0.280 1.00 25.00 C ATOM 616 OG SER A 118 66.184 14.964 1.234 1.00 25.00 O ATOM 0 H SER A 118 63.844 17.350 1.538 1.00 25.00 H new ATOM 0 HA SER A 118 66.002 17.020 -0.473 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.207 14.842 0.667 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.368 14.638 -0.629 1.00 25.00 H new ATOM 0 HG SER A 118 66.232 14.005 1.430 1.00 25.00 H new ATOM 622 N LEU A 119 64.302 16.853 -2.341 1.00 25.00 N ATOM 623 CA LEU A 119 63.367 17.095 -3.437 1.00 25.00 C ATOM 624 C LEU A 119 63.386 15.923 -4.401 1.00 25.00 C ATOM 625 O LEU A 119 64.428 15.296 -4.603 1.00 25.00 O ATOM 626 CB LEU A 119 63.772 18.355 -4.207 1.00 25.00 C ATOM 627 CG LEU A 119 63.769 19.691 -3.450 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.336 20.745 -4.387 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.367 20.094 -2.997 1.00 25.00 C ATOM 0 H LEU A 119 65.248 16.628 -2.648 1.00 25.00 H new ATOM 0 HA LEU A 119 62.370 17.220 -3.015 1.00 25.00 H new ATOM 0 HB2 LEU A 119 64.775 18.197 -4.603 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.104 18.454 -5.062 1.00 25.00 H new ATOM 0 HG LEU A 119 64.372 19.594 -2.547 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.350 21.711 -3.882 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.352 20.470 -4.672 1.00 25.00 H new ATOM 0 HD13 LEU A 119 63.714 20.811 -5.280 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.415 21.045 -2.466 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.719 20.197 -3.867 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.965 19.328 -2.334 1.00 25.00 H new ATOM 641 N GLN A 120 62.248 15.659 -5.025 1.00 25.00 N ATOM 642 CA GLN A 120 62.141 14.593 -6.022 1.00 25.00 C ATOM 643 C GLN A 120 62.231 15.240 -7.396 1.00 25.00 C ATOM 644 O GLN A 120 61.567 16.239 -7.664 1.00 25.00 O ATOM 645 CB GLN A 120 60.824 13.825 -5.870 1.00 25.00 C ATOM 646 CG GLN A 120 60.719 12.619 -6.803 1.00 25.00 C ATOM 647 CD GLN A 120 59.471 11.798 -6.560 1.00 25.00 C ATOM 648 OE1 GLN A 120 58.388 12.325 -6.392 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.623 10.499 -6.536 1.00 25.00 N ATOM 0 H GLN A 120 61.380 16.168 -4.861 1.00 25.00 H new ATOM 0 HA GLN A 120 62.946 13.871 -5.886 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.725 13.488 -4.838 1.00 25.00 H new ATOM 0 HB3 GLN A 120 59.992 14.501 -6.066 1.00 25.00 H new ATOM 0 HG2 GLN A 120 60.726 12.963 -7.837 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.596 11.986 -6.672 1.00 25.00 H new ATOM 0 HE21 GLN A 120 60.546 10.091 -6.681 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.818 9.894 -6.372 1.00 25.00 H new ATOM 658 N VAL A 121 63.106 14.706 -8.231 1.00 25.00 N ATOM 659 CA VAL A 121 63.413 15.291 -9.534 1.00 25.00 C ATOM 660 C VAL A 121 63.536 14.199 -10.590 1.00 25.00 C ATOM 661 O VAL A 121 63.655 13.022 -10.266 1.00 25.00 O ATOM 662 CB VAL A 121 64.763 16.064 -9.467 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.652 17.283 -8.546 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.894 15.140 -8.957 1.00 25.00 C ATOM 0 H VAL A 121 63.627 13.853 -8.028 1.00 25.00 H new ATOM 0 HA VAL A 121 62.604 15.972 -9.799 1.00 25.00 H new ATOM 0 HB VAL A 121 65.000 16.403 -10.476 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.608 17.805 -8.517 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.882 17.956 -8.924 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.386 16.956 -7.541 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.829 15.698 -8.917 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.645 14.777 -7.960 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.005 14.293 -9.634 1.00 25.00 H new ATOM 674 N ASP A 122 63.534 14.592 -11.853 1.00 25.00 N ATOM 675 CA ASP A 122 63.762 13.653 -12.952 1.00 25.00 C ATOM 676 C ASP A 122 65.267 13.540 -13.219 1.00 25.00 C ATOM 677 O ASP A 122 66.045 14.372 -12.761 1.00 25.00 O ATOM 678 CB ASP A 122 63.063 14.137 -14.223 1.00 25.00 C ATOM 679 CG ASP A 122 63.229 13.163 -15.365 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.003 11.960 -15.131 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 63.796 13.550 -16.399 1.00 25.00 O1- ATOM 0 H ASP A 122 63.377 15.556 -12.149 1.00 25.00 H new ATOM 0 HA ASP A 122 63.356 12.681 -12.672 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.002 14.281 -14.021 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.467 15.107 -14.512 1.00 25.00 H new ATOM 686 N ALA A 123 65.675 12.543 -13.989 1.00 25.00 N ATOM 687 CA ALA A 123 67.074 12.389 -14.369 1.00 25.00 C ATOM 688 C ALA A 123 67.543 13.559 -15.252 1.00 25.00 C ATOM 689 O ALA A 123 68.669 14.042 -15.110 1.00 25.00 O ATOM 690 CB ALA A 123 67.262 11.060 -15.106 1.00 25.00 C ATOM 0 H ALA A 123 65.056 11.825 -14.365 1.00 25.00 H new ATOM 0 HA ALA A 123 67.681 12.391 -13.463 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.308 10.946 -15.390 1.00 25.00 H new ATOM 0 HB2 ALA A 123 66.971 10.237 -14.453 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.640 11.049 -16.001 1.00 25.00 H new ATOM 696 N ASP A 124 66.685 13.998 -16.164 1.00 25.00 N ATOM 697 CA ASP A 124 67.046 15.040 -17.130 1.00 25.00 C ATOM 698 C ASP A 124 66.477 16.406 -16.728 1.00 25.00 C ATOM 699 O ASP A 124 66.354 17.320 -17.538 1.00 25.00 O ATOM 700 CB ASP A 124 66.580 14.650 -18.536 1.00 25.00 C ATOM 701 CG ASP A 124 67.513 15.174 -19.629 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.748 15.248 -19.384 1.00 25.00 O ATOM 703 OD2 ASP A 124 67.035 15.431 -20.753 1.00 25.00 O1- ATOM 0 H ASP A 124 65.731 13.651 -16.259 1.00 25.00 H new ATOM 0 HA ASP A 124 68.132 15.128 -17.134 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.517 13.564 -18.606 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.575 15.039 -18.703 1.00 25.00 H new ATOM 708 N PHE A 125 66.132 16.531 -15.455 1.00 25.00 N ATOM 709 CA PHE A 125 65.593 17.777 -14.907 1.00 25.00 C ATOM 710 C PHE A 125 66.615 18.904 -15.088 1.00 25.00 C ATOM 711 O PHE A 125 67.779 18.752 -14.719 1.00 25.00 O ATOM 712 CB PHE A 125 65.323 17.565 -13.421 1.00 25.00 C ATOM 713 CG PHE A 125 64.199 18.383 -12.864 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.874 17.923 -12.969 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.453 19.585 -12.183 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.811 18.646 -12.385 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.394 20.312 -11.589 1.00 25.00 C ATOM 718 CZ PHE A 125 62.074 19.838 -11.687 1.00 25.00 C ATOM 0 H PHE A 125 66.215 15.778 -14.772 1.00 25.00 H new ATOM 0 HA PHE A 125 64.673 18.050 -15.424 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.104 16.510 -13.253 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.232 17.795 -12.865 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.667 17.007 -13.502 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.464 19.957 -12.112 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.797 18.284 -12.474 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.600 21.231 -11.060 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.265 20.387 -11.228 1.00 25.00 H new ATOM 728 N GLU A 126 66.186 20.022 -15.658 1.00 25.00 N ATOM 729 CA GLU A 126 67.085 21.154 -15.913 1.00 25.00 C ATOM 730 C GLU A 126 67.561 21.764 -14.603 1.00 25.00 C ATOM 731 O GLU A 126 66.777 21.907 -13.660 1.00 25.00 O ATOM 732 CB GLU A 126 66.357 22.244 -16.717 1.00 25.00 C ATOM 733 CG GLU A 126 66.570 22.170 -18.227 1.00 25.00 C ATOM 734 CD GLU A 126 67.844 22.890 -18.660 1.00 25.00 C ATOM 735 OE1 GLU A 126 68.921 22.507 -18.179 1.00 25.00 O ATOM 736 OE2 GLU A 126 67.765 23.867 -19.443 1.00 25.00 O1- ATOM 0 H GLU A 126 65.222 20.175 -15.955 1.00 25.00 H new ATOM 0 HA GLU A 126 67.939 20.780 -16.478 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.289 22.177 -16.510 1.00 25.00 H new ATOM 0 HB3 GLU A 126 66.689 23.220 -16.364 1.00 25.00 H new ATOM 0 HG2 GLU A 126 66.621 21.126 -18.535 1.00 25.00 H new ATOM 0 HG3 GLU A 126 65.713 22.611 -18.736 1.00 25.00 H new ATOM 743 N LEU A 127 68.818 22.190 -14.550 1.00 25.00 N ATOM 744 CA LEU A 127 69.345 22.831 -13.343 1.00 25.00 C ATOM 745 C LEU A 127 68.630 24.144 -13.093 1.00 25.00 C ATOM 746 O LEU A 127 68.452 24.554 -11.948 1.00 25.00 O ATOM 747 CB LEU A 127 70.852 23.101 -13.455 1.00 25.00 C ATOM 748 CG LEU A 127 71.796 22.170 -12.674 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.477 22.182 -11.178 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.741 20.753 -13.187 1.00 25.00 C ATOM 0 H LEU A 127 69.486 22.107 -15.316 1.00 25.00 H new ATOM 0 HA LEU A 127 69.175 22.146 -12.513 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.126 23.052 -14.509 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.037 24.123 -13.125 1.00 25.00 H new ATOM 0 HG LEU A 127 72.805 22.554 -12.827 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.161 21.514 -10.655 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.590 23.194 -10.790 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.452 21.846 -11.022 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.422 20.130 -12.608 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.726 20.369 -13.088 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.035 20.734 -14.236 1.00 25.00 H new ATOM 762 N HIS A 128 68.179 24.782 -14.164 1.00 25.00 N ATOM 763 CA HIS A 128 67.395 26.007 -14.054 1.00 25.00 C ATOM 764 C HIS A 128 66.125 25.752 -13.249 1.00 25.00 C ATOM 765 O HIS A 128 65.740 26.553 -12.402 1.00 25.00 O ATOM 766 CB HIS A 128 67.019 26.509 -15.449 1.00 25.00 C ATOM 767 CG HIS A 128 66.288 27.815 -15.440 1.00 25.00 C ATOM 768 ND1 HIS A 128 66.885 29.036 -15.243 1.00 25.00 N ATOM 769 CD2 HIS A 128 64.965 28.091 -15.602 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.940 29.972 -15.289 1.00 25.00 C ATOM 771 NE2 HIS A 128 64.751 29.452 -15.511 1.00 25.00 N ATOM 0 H HIS A 128 68.342 24.472 -15.122 1.00 25.00 H new ATOM 0 HA HIS A 128 67.995 26.760 -13.544 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.926 26.614 -16.045 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.400 25.759 -15.941 1.00 25.00 H new ATOM 0 HD2 HIS A 128 64.195 27.354 -15.776 1.00 25.00 H new ATOM 0 HE1 HIS A 128 66.126 31.028 -15.160 1.00 25.00 H new ATOM 0 HE2 HIS A 128 63.864 29.947 -15.597 1.00 25.00 H new ATOM 779 N ASN A 129 65.490 24.618 -13.504 1.00 25.00 N ATOM 780 CA ASN A 129 64.260 24.259 -12.812 1.00 25.00 C ATOM 781 C ASN A 129 64.581 23.792 -11.389 1.00 25.00 C ATOM 782 O ASN A 129 63.900 24.143 -10.438 1.00 25.00 O ATOM 783 CB ASN A 129 63.540 23.153 -13.595 1.00 25.00 C ATOM 784 CG ASN A 129 62.076 23.045 -13.238 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.574 23.771 -12.408 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.383 22.157 -13.895 1.00 25.00 N ATOM 0 H ASN A 129 65.806 23.929 -14.186 1.00 25.00 H new ATOM 0 HA ASN A 129 63.607 25.129 -12.749 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.636 23.348 -14.663 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.029 22.198 -13.400 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.384 22.056 -13.717 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.840 21.563 -14.587 1.00 25.00 H new ATOM 793 N PHE A 130 65.655 23.030 -11.242 1.00 25.00 N ATOM 794 CA PHE A 130 66.053 22.518 -9.930 1.00 25.00 C ATOM 795 C PHE A 130 66.361 23.637 -8.942 1.00 25.00 C ATOM 796 O PHE A 130 65.886 23.622 -7.810 1.00 25.00 O ATOM 797 CB PHE A 130 67.282 21.621 -10.070 1.00 25.00 C ATOM 798 CG PHE A 130 67.775 21.071 -8.759 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.965 20.215 -7.992 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.056 21.408 -8.283 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.431 19.683 -6.761 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.533 20.884 -7.059 1.00 25.00 C ATOM 803 CZ PHE A 130 68.720 20.015 -6.298 1.00 25.00 C ATOM 0 H PHE A 130 66.267 22.751 -12.009 1.00 25.00 H new ATOM 0 HA PHE A 130 65.210 21.948 -9.540 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.043 20.792 -10.736 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.084 22.188 -10.542 1.00 25.00 H new ATOM 0 HD1 PHE A 130 65.976 19.959 -8.344 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.682 22.074 -8.859 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.800 19.026 -6.181 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.519 21.148 -6.706 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.084 19.607 -5.367 1.00 25.00 H new ATOM 813 N ARG A 131 67.139 24.625 -9.361 1.00 25.00 N ATOM 814 CA ARG A 131 67.487 25.726 -8.459 1.00 25.00 C ATOM 815 C ARG A 131 66.258 26.570 -8.119 1.00 25.00 C ATOM 816 O ARG A 131 66.191 27.138 -7.037 1.00 25.00 O ATOM 817 CB ARG A 131 68.620 26.587 -9.038 1.00 25.00 C ATOM 818 CG ARG A 131 68.219 27.468 -10.219 1.00 25.00 C ATOM 819 CD ARG A 131 69.424 28.168 -10.849 1.00 25.00 C ATOM 820 NE ARG A 131 70.197 28.959 -9.870 1.00 25.00 N ATOM 821 CZ ARG A 131 69.855 30.155 -9.394 1.00 25.00 C ATOM 822 NH1 ARG A 131 68.749 30.766 -9.745 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 70.645 30.744 -8.540 1.00 25.00 N ATOM 0 H ARG A 131 67.536 24.692 -10.298 1.00 25.00 H new ATOM 0 HA ARG A 131 67.854 25.290 -7.530 1.00 25.00 H new ATOM 0 HB2 ARG A 131 69.014 27.224 -8.246 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.431 25.930 -9.352 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.719 26.859 -10.972 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.499 28.216 -9.885 1.00 25.00 H new ATOM 0 HD2 ARG A 131 70.076 27.422 -11.304 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.081 28.823 -11.650 1.00 25.00 H new ATOM 0 HE ARG A 131 71.069 28.554 -9.529 1.00 25.00 H new ATOM 0 HH11 ARG A 131 68.111 30.325 -10.408 1.00 25.00 H new ATOM 0 HH12 ARG A 131 68.527 31.682 -9.355 1.00 25.00 H new ATOM 0 HH21 ARG A 131 71.509 30.289 -8.247 1.00 25.00 H new ATOM 0 HH22 ARG A 131 70.399 31.660 -8.165 1.00 25.00 H new ATOM 837 N ALA A 132 65.279 26.615 -9.015 1.00 25.00 N ATOM 838 CA ALA A 132 64.038 27.341 -8.753 1.00 25.00 C ATOM 839 C ALA A 132 63.215 26.584 -7.704 1.00 25.00 C ATOM 840 O ALA A 132 62.650 27.185 -6.802 1.00 25.00 O ATOM 841 CB ALA A 132 63.238 27.506 -10.053 1.00 25.00 C ATOM 0 H ALA A 132 65.318 26.160 -9.927 1.00 25.00 H new ATOM 0 HA ALA A 132 64.273 28.334 -8.369 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.315 28.048 -9.846 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.832 28.063 -10.777 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.998 26.524 -10.460 1.00 25.00 H new ATOM 847 N LEU A 133 63.196 25.261 -7.802 1.00 25.00 N ATOM 848 CA LEU A 133 62.508 24.426 -6.813 1.00 25.00 C ATOM 849 C LEU A 133 63.164 24.604 -5.446 1.00 25.00 C ATOM 850 O LEU A 133 62.486 24.687 -4.430 1.00 25.00 O ATOM 851 CB LEU A 133 62.584 22.949 -7.215 1.00 25.00 C ATOM 852 CG LEU A 133 61.304 22.307 -7.770 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.873 22.932 -9.095 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.545 20.806 -7.961 1.00 25.00 C ATOM 0 H LEU A 133 63.647 24.739 -8.553 1.00 25.00 H new ATOM 0 HA LEU A 133 61.463 24.732 -6.767 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.368 22.843 -7.965 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.898 22.377 -6.342 1.00 25.00 H new ATOM 0 HG LEU A 133 60.500 22.480 -7.054 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.964 22.445 -9.448 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.683 23.996 -8.951 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.664 22.802 -9.833 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.642 20.340 -8.355 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.366 20.656 -8.662 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.798 20.353 -7.002 1.00 25.00 H new ATOM 866 N CYS A 134 64.487 24.697 -5.430 1.00 25.00 N ATOM 867 CA CYS A 134 65.208 24.922 -4.179 1.00 25.00 C ATOM 868 C CYS A 134 64.817 26.270 -3.574 1.00 25.00 C ATOM 869 O CYS A 134 64.612 26.372 -2.374 1.00 25.00 O ATOM 870 CB CYS A 134 66.722 24.899 -4.413 1.00 25.00 C ATOM 871 SG CYS A 134 67.358 23.320 -5.030 1.00 25.00 S ATOM 0 H CYS A 134 65.079 24.622 -6.257 1.00 25.00 H new ATOM 0 HA CYS A 134 64.940 24.121 -3.490 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.980 25.684 -5.124 1.00 25.00 H new ATOM 0 HB3 CYS A 134 67.226 25.139 -3.477 1.00 25.00 H new ATOM 0 HG CYS A 134 66.932 23.124 -6.242 1.00 25.00 H new ATOM 877 N GLU A 135 64.718 27.300 -4.405 1.00 25.00 N ATOM 878 CA GLU A 135 64.352 28.637 -3.930 1.00 25.00 C ATOM 879 C GLU A 135 62.935 28.630 -3.354 1.00 25.00 C ATOM 880 O GLU A 135 62.680 29.218 -2.300 1.00 25.00 O ATOM 881 CB GLU A 135 64.449 29.648 -5.082 1.00 25.00 C ATOM 882 CG GLU A 135 64.315 31.097 -4.628 1.00 25.00 C ATOM 883 CD GLU A 135 64.459 32.106 -5.767 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.640 31.683 -6.932 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 64.487 33.333 -5.483 1.00 25.00 O1- ATOM 0 H GLU A 135 64.885 27.240 -5.409 1.00 25.00 H new ATOM 0 HA GLU A 135 65.045 28.929 -3.141 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.406 29.520 -5.588 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.670 29.430 -5.813 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.343 31.233 -4.153 1.00 25.00 H new ATOM 0 HG3 GLU A 135 65.072 31.304 -3.871 1.00 25.00 H new ATOM 892 N LEU A 136 62.033 27.934 -4.033 1.00 25.00 N ATOM 893 CA LEU A 136 60.635 27.845 -3.612 1.00 25.00 C ATOM 894 C LEU A 136 60.498 27.187 -2.243 1.00 25.00 C ATOM 895 O LEU A 136 59.767 27.674 -1.387 1.00 25.00 O ATOM 896 CB LEU A 136 59.845 27.032 -4.650 1.00 25.00 C ATOM 897 CG LEU A 136 58.338 26.846 -4.401 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.584 28.177 -4.463 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.773 25.880 -5.446 1.00 25.00 C ATOM 0 H LEU A 136 62.244 27.417 -4.886 1.00 25.00 H new ATOM 0 HA LEU A 136 60.239 28.858 -3.538 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.970 27.512 -5.621 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.300 26.044 -4.722 1.00 25.00 H new ATOM 0 HG LEU A 136 58.204 26.439 -3.399 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.523 28.003 -4.282 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.976 28.853 -3.703 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.715 28.624 -5.448 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.705 25.743 -5.276 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.932 26.290 -6.444 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.279 24.918 -5.364 1.00 25.00 H new ATOM 911 N GLU A 137 61.196 26.079 -2.044 1.00 25.00 N ATOM 912 CA GLU A 137 61.114 25.332 -0.786 1.00 25.00 C ATOM 913 C GLU A 137 61.813 26.088 0.353 1.00 25.00 C ATOM 914 O GLU A 137 61.408 26.019 1.508 1.00 25.00 O ATOM 915 CB GLU A 137 61.763 23.955 -0.981 1.00 25.00 C ATOM 916 CG GLU A 137 61.381 22.910 0.074 1.00 25.00 C ATOM 917 CD GLU A 137 59.963 22.377 -0.116 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.661 21.862 -1.217 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.161 22.444 0.842 1.00 25.00 O1- ATOM 0 H GLU A 137 61.827 25.673 -2.734 1.00 25.00 H new ATOM 0 HA GLU A 137 60.065 25.214 -0.512 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.488 23.575 -1.965 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.846 24.076 -0.977 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.086 22.080 0.030 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.469 23.352 1.067 1.00 25.00 H new ATOM 926 N SER A 138 62.878 26.807 0.020 1.00 25.00 N ATOM 927 CA SER A 138 63.663 27.521 1.032 1.00 25.00 C ATOM 928 C SER A 138 63.070 28.869 1.437 1.00 25.00 C ATOM 929 O SER A 138 63.338 29.359 2.533 1.00 25.00 O ATOM 930 CB SER A 138 65.073 27.767 0.514 1.00 25.00 C ATOM 931 OG SER A 138 65.666 26.561 0.088 1.00 25.00 O ATOM 0 H SER A 138 63.220 26.914 -0.935 1.00 25.00 H new ATOM 0 HA SER A 138 63.660 26.879 1.913 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.043 28.475 -0.314 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.680 28.219 1.298 1.00 25.00 H new ATOM 0 HG SER A 138 65.525 26.449 -0.875 1.00 25.00 H new ATOM 937 N GLY A 139 62.317 29.496 0.542 1.00 25.00 N ATOM 938 CA GLY A 139 61.734 30.799 0.832 1.00 25.00 C ATOM 939 C GLY A 139 62.770 31.903 0.994 1.00 25.00 C ATOM 940 O GLY A 139 62.575 32.841 1.766 1.00 25.00 O ATOM 0 H GLY A 139 62.097 29.127 -0.383 1.00 25.00 H new ATOM 0 HA2 GLY A 139 61.049 31.069 0.028 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.143 30.729 1.745 1.00 25.00 H new ATOM 944 N ILE A 140 63.879 31.795 0.271 1.00 25.00 N ATOM 945 CA ILE A 140 64.963 32.784 0.346 1.00 25.00 C ATOM 946 C ILE A 140 65.151 33.473 -1.003 1.00 25.00 C ATOM 947 O ILE A 140 64.932 32.866 -2.037 1.00 25.00 O ATOM 948 CB ILE A 140 66.333 32.138 0.770 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.737 30.970 -0.165 1.00 25.00 C ATOM 950 CG2 ILE A 140 66.268 31.652 2.226 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.756 31.348 -1.238 1.00 25.00 C ATOM 0 H ILE A 140 64.057 31.030 -0.379 1.00 25.00 H new ATOM 0 HA ILE A 140 64.670 33.507 1.107 1.00 25.00 H new ATOM 0 HB ILE A 140 67.097 32.910 0.682 1.00 25.00 H new ATOM 0 HG12 ILE A 140 67.147 30.161 0.440 1.00 25.00 H new ATOM 0 HG13 ILE A 140 65.842 30.583 -0.651 1.00 25.00 H new ATOM 0 HG21 ILE A 140 67.224 31.208 2.504 1.00 25.00 H new ATOM 0 HG22 ILE A 140 66.056 32.496 2.882 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.479 30.907 2.326 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.983 30.474 -1.848 1.00 25.00 H new ATOM 0 HD12 ILE A 140 67.344 32.134 -1.870 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.669 31.706 -0.763 1.00 25.00 H new ATOM 963 N PRO A 141 65.570 34.752 -1.011 1.00 25.00 N ATOM 964 CA PRO A 141 65.807 35.354 -2.328 1.00 25.00 C ATOM 965 C PRO A 141 67.055 34.789 -3.017 1.00 25.00 C ATOM 966 O PRO A 141 68.159 34.852 -2.460 1.00 25.00 O ATOM 967 CB PRO A 141 66.027 36.843 -1.993 1.00 25.00 C ATOM 968 CG PRO A 141 65.493 37.011 -0.597 1.00 25.00 C ATOM 969 CD PRO A 141 65.840 35.721 0.065 1.00 25.00 C ATOM 0 HA PRO A 141 64.984 35.161 -3.017 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.083 37.108 -2.046 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.501 37.488 -2.697 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.954 37.859 -0.090 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.417 37.186 -0.597 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.880 35.694 0.389 1.00 25.00 H new ATOM 0 HD3 PRO A 141 65.227 35.535 0.947 1.00 25.00 H new ATOM 977 N ALA A 142 66.915 34.296 -4.243 1.00 25.00 N ATOM 978 CA ALA A 142 68.069 33.811 -5.010 1.00 25.00 C ATOM 979 C ALA A 142 69.079 34.931 -5.276 1.00 25.00 C ATOM 980 O ALA A 142 70.255 34.671 -5.490 1.00 25.00 O ATOM 981 CB ALA A 142 67.616 33.197 -6.332 1.00 25.00 C ATOM 0 H ALA A 142 66.022 34.220 -4.729 1.00 25.00 H new ATOM 0 HA ALA A 142 68.560 33.045 -4.409 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.486 32.843 -6.886 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.947 32.360 -6.134 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.091 33.949 -6.922 1.00 25.00 H new ATOM 987 N ALA A 143 68.609 36.172 -5.268 1.00 25.00 N ATOM 988 CA ALA A 143 69.472 37.331 -5.494 1.00 25.00 C ATOM 989 C ALA A 143 70.579 37.432 -4.429 1.00 25.00 C ATOM 990 O ALA A 143 71.630 38.016 -4.671 1.00 25.00 O ATOM 991 CB ALA A 143 68.621 38.609 -5.490 1.00 25.00 C ATOM 0 H ALA A 143 67.629 36.405 -5.107 1.00 25.00 H new ATOM 0 HA ALA A 143 69.957 37.211 -6.463 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.263 39.474 -5.658 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.874 38.551 -6.282 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.121 38.710 -4.527 1.00 25.00 H new ATOM 997 N GLU A 144 70.325 36.868 -3.258 1.00 25.00 N ATOM 998 CA GLU A 144 71.266 36.915 -2.140 1.00 25.00 C ATOM 999 C GLU A 144 71.940 35.557 -1.936 1.00 25.00 C ATOM 1000 O GLU A 144 72.506 35.292 -0.866 1.00 25.00 O ATOM 1001 CB GLU A 144 70.509 37.274 -0.859 1.00 25.00 C ATOM 1002 CG GLU A 144 69.781 38.605 -0.911 1.00 25.00 C ATOM 1003 CD GLU A 144 69.118 38.924 0.417 1.00 25.00 C ATOM 1004 OE1 GLU A 144 68.393 38.046 0.939 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 69.344 40.024 0.958 1.00 25.00 O1- ATOM 0 H GLU A 144 69.462 36.364 -3.052 1.00 25.00 H new ATOM 0 HA GLU A 144 72.027 37.663 -2.364 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.786 36.487 -0.646 1.00 25.00 H new ATOM 0 HB3 GLU A 144 71.214 37.292 -0.028 1.00 25.00 H new ATOM 0 HG2 GLU A 144 70.485 39.397 -1.168 1.00 25.00 H new ATOM 0 HG3 GLU A 144 69.028 38.580 -1.699 1.00 25.00 H new ATOM 1012 N SER A 145 71.814 34.668 -2.913 1.00 25.00 N ATOM 1013 CA SER A 145 72.236 33.283 -2.730 1.00 25.00 C ATOM 1014 C SER A 145 72.982 32.656 -3.903 1.00 25.00 C ATOM 1015 O SER A 145 72.785 33.011 -5.063 1.00 25.00 O ATOM 1016 CB SER A 145 70.995 32.445 -2.440 1.00 25.00 C ATOM 1017 OG SER A 145 71.344 31.137 -2.031 1.00 25.00 O ATOM 0 H SER A 145 71.427 34.877 -3.833 1.00 25.00 H new ATOM 0 HA SER A 145 72.952 33.296 -1.908 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.402 32.926 -1.662 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.370 32.395 -3.332 1.00 25.00 H new ATOM 0 HG SER A 145 72.249 31.142 -1.655 1.00 25.00 H new ATOM 1023 N GLN A 146 73.809 31.672 -3.584 1.00 25.00 N ATOM 1024 CA GLN A 146 74.521 30.882 -4.583 1.00 25.00 C ATOM 1025 C GLN A 146 74.346 29.413 -4.235 1.00 25.00 C ATOM 1026 O GLN A 146 74.129 29.075 -3.077 1.00 25.00 O ATOM 1027 CB GLN A 146 76.008 31.231 -4.602 1.00 25.00 C ATOM 1028 CG GLN A 146 76.294 32.663 -5.018 1.00 25.00 C ATOM 1029 CD GLN A 146 77.742 32.859 -5.384 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.572 33.176 -4.551 1.00 25.00 O ATOM 1031 NE2 GLN A 146 78.057 32.637 -6.633 1.00 25.00 N ATOM 0 H GLN A 146 74.007 31.396 -2.622 1.00 25.00 H new ATOM 0 HA GLN A 146 74.115 31.098 -5.571 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.425 31.060 -3.609 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.522 30.554 -5.284 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.665 32.927 -5.868 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.030 33.338 -4.204 1.00 25.00 H new ATOM 0 HE21 GLN A 146 77.334 32.373 -7.302 1.00 25.00 H new ATOM 0 HE22 GLN A 146 79.026 32.728 -6.938 1.00 25.00 H new ATOM 1040 N ILE A 147 74.442 28.548 -5.232 1.00 25.00 N ATOM 1041 CA ILE A 147 74.275 27.107 -5.029 1.00 25.00 C ATOM 1042 C ILE A 147 75.485 26.374 -5.638 1.00 25.00 C ATOM 1043 O ILE A 147 76.010 26.767 -6.693 1.00 25.00 O ATOM 1044 CB ILE A 147 72.899 26.630 -5.600 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.608 25.188 -5.136 1.00 25.00 C ATOM 1046 CG2 ILE A 147 72.849 26.799 -7.138 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.244 24.623 -5.589 1.00 25.00 C ATOM 0 H ILE A 147 74.636 28.815 -6.197 1.00 25.00 H new ATOM 0 HA ILE A 147 74.251 26.867 -3.966 1.00 25.00 H new ATOM 0 HB ILE A 147 72.102 27.260 -5.204 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.397 24.535 -5.509 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.655 25.155 -4.048 1.00 25.00 H new ATOM 0 HG21 ILE A 147 71.882 26.460 -7.510 1.00 25.00 H new ATOM 0 HG22 ILE A 147 72.988 27.849 -7.393 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.641 26.206 -7.595 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.130 23.605 -5.215 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.442 25.247 -5.194 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.196 24.617 -6.678 1.00 25.00 H new ATOM 1059 N VAL A 148 75.977 25.376 -4.918 1.00 25.00 N ATOM 1060 CA VAL A 148 77.220 24.686 -5.252 1.00 25.00 C ATOM 1061 C VAL A 148 77.061 23.177 -4.986 1.00 25.00 C ATOM 1062 O VAL A 148 76.346 22.771 -4.069 1.00 25.00 O ATOM 1063 CB VAL A 148 78.400 25.326 -4.405 1.00 25.00 C ATOM 1064 CG1 VAL A 148 78.197 25.127 -2.895 1.00 25.00 C ATOM 1065 CG2 VAL A 148 79.762 24.788 -4.822 1.00 25.00 C ATOM 0 H VAL A 148 75.523 25.018 -4.078 1.00 25.00 H new ATOM 0 HA VAL A 148 77.458 24.803 -6.309 1.00 25.00 H new ATOM 0 HB VAL A 148 78.377 26.395 -4.616 1.00 25.00 H new ATOM 0 HG11 VAL A 148 79.027 25.580 -2.353 1.00 25.00 H new ATOM 0 HG12 VAL A 148 77.263 25.598 -2.588 1.00 25.00 H new ATOM 0 HG13 VAL A 148 78.156 24.061 -2.671 1.00 25.00 H new ATOM 0 HG21 VAL A 148 80.539 25.254 -4.216 1.00 25.00 H new ATOM 0 HG22 VAL A 148 79.787 23.708 -4.676 1.00 25.00 H new ATOM 0 HG23 VAL A 148 79.937 25.016 -5.873 1.00 25.00 H new ATOM 1075 N TYR A 149 77.711 22.356 -5.797 1.00 25.00 N ATOM 1076 CA TYR A 149 77.680 20.901 -5.645 1.00 25.00 C ATOM 1077 C TYR A 149 79.072 20.368 -5.934 1.00 25.00 C ATOM 1078 O TYR A 149 79.686 20.785 -6.906 1.00 25.00 O ATOM 1079 CB TYR A 149 76.704 20.286 -6.639 1.00 25.00 C ATOM 1080 CG TYR A 149 76.832 18.783 -6.727 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.638 17.971 -5.589 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.166 18.160 -7.949 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.788 16.563 -5.669 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.303 16.747 -8.030 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.118 15.966 -6.887 1.00 25.00 C ATOM 1086 OH TYR A 149 77.256 14.609 -6.940 1.00 25.00 O ATOM 0 H TYR A 149 78.278 22.676 -6.582 1.00 25.00 H new ATOM 0 HA TYR A 149 77.363 20.645 -4.634 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.685 20.544 -6.349 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.874 20.719 -7.625 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.372 18.427 -4.647 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.319 18.763 -8.832 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.647 15.953 -4.789 1.00 25.00 H new ATOM 0 HE2 TYR A 149 77.549 16.279 -8.972 1.00 25.00 H new ATOM 0 HH TYR A 149 77.486 14.339 -7.854 1.00 25.00 H new ATOM 1096 N ALA A 150 79.574 19.482 -5.077 1.00 25.00 N ATOM 1097 CA ALA A 150 80.925 18.915 -5.218 1.00 25.00 C ATOM 1098 C ALA A 150 81.971 20.032 -5.418 1.00 25.00 C ATOM 1099 O ALA A 150 82.846 19.935 -6.275 1.00 25.00 O ATOM 1100 CB ALA A 150 80.960 17.901 -6.384 1.00 25.00 C ATOM 0 H ALA A 150 79.063 19.134 -4.266 1.00 25.00 H new ATOM 0 HA ALA A 150 81.179 18.387 -4.299 1.00 25.00 H new ATOM 0 HB1 ALA A 150 81.965 17.489 -6.478 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.254 17.094 -6.186 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.686 18.404 -7.312 1.00 25.00 H new ATOM 1106 N GLU A 151 81.806 21.102 -4.640 1.00 25.00 N ATOM 1107 CA GLU A 151 82.658 22.312 -4.674 1.00 25.00 C ATOM 1108 C GLU A 151 82.671 23.061 -6.024 1.00 25.00 C ATOM 1109 O GLU A 151 83.441 24.000 -6.216 1.00 25.00 O ATOM 1110 CB GLU A 151 84.090 21.991 -4.220 1.00 25.00 C ATOM 1111 CG GLU A 151 84.146 21.380 -2.817 1.00 25.00 C ATOM 1112 CD GLU A 151 85.567 21.242 -2.286 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.531 21.429 -3.060 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.715 20.963 -1.076 1.00 25.00 O1- ATOM 0 H GLU A 151 81.059 21.162 -3.948 1.00 25.00 H new ATOM 0 HA GLU A 151 82.194 23.000 -3.967 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.545 21.301 -4.930 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.685 22.904 -4.237 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.567 22.000 -2.133 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.673 20.398 -2.835 1.00 25.00 H new ATOM 1121 N ARG A 152 81.777 22.694 -6.931 1.00 25.00 N ATOM 1122 CA ARG A 152 81.658 23.354 -8.235 1.00 25.00 C ATOM 1123 C ARG A 152 80.319 24.079 -8.308 1.00 25.00 C ATOM 1124 O ARG A 152 79.289 23.532 -7.909 1.00 25.00 O ATOM 1125 CB ARG A 152 81.740 22.306 -9.346 1.00 25.00 C ATOM 1126 CG ARG A 152 83.075 21.582 -9.374 1.00 25.00 C ATOM 1127 CD ARG A 152 83.032 20.374 -10.286 1.00 25.00 C ATOM 1128 NE ARG A 152 84.269 19.587 -10.157 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.389 19.788 -10.844 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.501 20.737 -11.744 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.418 19.022 -10.616 1.00 25.00 N ATOM 0 H ARG A 152 81.113 21.933 -6.790 1.00 25.00 H new ATOM 0 HA ARG A 152 82.468 24.073 -8.360 1.00 25.00 H new ATOM 0 HB2 ARG A 152 80.940 21.578 -9.213 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.574 22.790 -10.309 1.00 25.00 H new ATOM 0 HG2 ARG A 152 83.854 22.266 -9.711 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.341 21.268 -8.365 1.00 25.00 H new ATOM 0 HD2 ARG A 152 82.171 19.753 -10.037 1.00 25.00 H new ATOM 0 HD3 ARG A 152 82.905 20.696 -11.320 1.00 25.00 H new ATOM 0 HE ARG A 152 84.267 18.822 -9.483 1.00 25.00 H new ATOM 0 HH11 ARG A 152 84.711 21.353 -11.937 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.378 20.859 -12.250 1.00 25.00 H new ATOM 0 HH21 ARG A 152 86.357 18.280 -9.918 1.00 25.00 H new ATOM 0 HH22 ARG A 152 87.284 19.164 -11.135 1.00 25.00 H new ATOM 1145 N PRO A 153 80.307 25.335 -8.781 1.00 25.00 N ATOM 1146 CA PRO A 153 78.997 25.985 -8.802 1.00 25.00 C ATOM 1147 C PRO A 153 78.090 25.410 -9.884 1.00 25.00 C ATOM 1148 O PRO A 153 78.550 24.960 -10.935 1.00 25.00 O ATOM 1149 CB PRO A 153 79.347 27.445 -9.086 1.00 25.00 C ATOM 1150 CG PRO A 153 80.582 27.367 -9.903 1.00 25.00 C ATOM 1151 CD PRO A 153 81.362 26.231 -9.290 1.00 25.00 C ATOM 0 HA PRO A 153 78.440 25.844 -7.876 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.545 27.950 -9.623 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.513 28.002 -8.164 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.354 27.173 -10.951 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.143 28.301 -9.866 1.00 25.00 H new ATOM 0 HD2 PRO A 153 81.993 25.733 -10.026 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.017 26.577 -8.490 1.00 25.00 H new ATOM 1159 N LEU A 154 76.793 25.453 -9.634 1.00 25.00 N ATOM 1160 CA LEU A 154 75.804 24.966 -10.599 1.00 25.00 C ATOM 1161 C LEU A 154 75.405 26.131 -11.510 1.00 0.00 C ATOM 1162 O LEU A 154 74.240 26.513 -11.592 1.00 25.00 O ATOM 1163 CB LEU A 154 74.579 24.392 -9.875 1.00 25.00 C ATOM 1164 CG LEU A 154 74.854 23.208 -8.926 1.00 25.00 C ATOM 1165 CD1 LEU A 154 73.633 22.906 -8.074 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.237 21.966 -9.705 1.00 25.00 C ATOM 0 H LEU A 154 76.392 25.820 -8.771 1.00 25.00 H new ATOM 0 HA LEU A 154 76.233 24.163 -11.198 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.112 25.192 -9.301 1.00 25.00 H new ATOM 0 HB3 LEU A 154 73.855 24.072 -10.624 1.00 25.00 H new ATOM 0 HG LEU A 154 75.684 23.493 -8.279 1.00 25.00 H new ATOM 0 HD11 LEU A 154 73.850 22.067 -7.412 1.00 25.00 H new ATOM 0 HD12 LEU A 154 73.379 23.783 -7.478 1.00 25.00 H new ATOM 0 HD13 LEU A 154 72.793 22.651 -8.720 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.426 21.146 -9.012 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.424 21.693 -10.378 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.137 22.164 -10.286 1.00 25.00 H new ATOM 1178 N THR A 155 76.408 26.750 -12.116 1.00 25.00 N ATOM 1179 CA THR A 155 76.211 27.938 -12.945 1.00 25.00 C ATOM 1180 C THR A 155 75.715 27.606 -14.342 1.00 25.00 C ATOM 1181 O THR A 155 75.114 28.447 -15.003 1.00 25.00 O ATOM 1182 CB THR A 155 77.534 28.697 -13.100 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.616 27.765 -13.015 1.00 25.00 O ATOM 1184 CG2 THR A 155 77.700 29.720 -11.991 1.00 25.00 C ATOM 0 H THR A 155 77.380 26.447 -12.049 1.00 25.00 H new ATOM 0 HA THR A 155 75.458 28.539 -12.436 1.00 25.00 H new ATOM 0 HB THR A 155 77.531 29.208 -14.063 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.467 28.241 -13.115 1.00 25.00 H new ATOM 0 HG21 THR A 155 78.645 30.247 -12.121 1.00 25.00 H new ATOM 0 HG22 THR A 155 76.878 30.435 -12.029 1.00 25.00 H new ATOM 0 HG23 THR A 155 77.696 29.214 -11.026 1.00 25.00 H new ATOM 1192 N ASP A 156 75.949 26.382 -14.789 1.00 25.00 N ATOM 1193 CA ASP A 156 75.491 25.955 -16.108 1.00 25.00 C ATOM 1194 C ASP A 156 74.052 25.481 -15.956 1.00 25.00 C ATOM 1195 O ASP A 156 73.772 24.287 -15.887 1.00 25.00 O ATOM 1196 CB ASP A 156 76.363 24.833 -16.666 1.00 25.00 C ATOM 1197 CG ASP A 156 77.790 25.271 -16.919 1.00 25.00 C ATOM 1198 OD1 ASP A 156 78.007 26.134 -17.791 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.707 24.704 -16.283 1.00 25.00 O1- ATOM 0 H ASP A 156 76.451 25.667 -14.263 1.00 25.00 H new ATOM 0 HA ASP A 156 75.557 26.786 -16.811 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.363 23.997 -15.967 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.928 24.470 -17.597 1.00 25.00 H new ATOM 1204 N ASN A 157 73.141 26.436 -15.849 1.00 25.00 N ATOM 1205 CA ASN A 157 71.733 26.140 -15.597 1.00 25.00 C ATOM 1206 C ASN A 157 71.035 25.489 -16.784 1.00 25.00 C ATOM 1207 O ASN A 157 69.900 25.050 -16.656 1.00 25.00 O ATOM 1208 CB ASN A 157 70.986 27.425 -15.236 1.00 25.00 C ATOM 1209 CG ASN A 157 70.878 28.376 -16.404 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.785 28.320 -17.118 1.00 25.00 O flip ATOM 1211 ND2 ASN A 157 71.778 29.152 -16.655 1.00 25.00 N flip ATOM 0 H ASN A 157 73.351 27.431 -15.933 1.00 25.00 H new ATOM 0 HA ASN A 157 71.713 25.430 -14.771 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.986 27.174 -14.882 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.500 27.922 -14.413 1.00 25.00 H new ATOM 0 HD21 ASN A 157 72.616 29.166 -16.074 1.00 25.00 H new ATOM 0 HD22 ASN A 157 71.696 29.790 -17.447 1.00 25.00 H new ATOM 1218 N HIS A 158 71.711 25.454 -17.925 1.00 25.00 N ATOM 1219 CA HIS A 158 71.167 24.870 -19.154 1.00 25.00 C ATOM 1220 C HIS A 158 71.693 23.439 -19.335 1.00 25.00 C ATOM 1221 O HIS A 158 71.948 22.973 -20.446 1.00 25.00 O ATOM 1222 CB HIS A 158 71.522 25.750 -20.355 1.00 25.00 C ATOM 1223 CG HIS A 158 70.739 25.430 -21.594 1.00 25.00 C ATOM 1224 ND1 HIS A 158 69.510 24.812 -21.602 1.00 25.00 N ATOM 1225 CD2 HIS A 158 71.037 25.637 -22.905 1.00 25.00 C ATOM 1226 CE1 HIS A 158 69.127 24.674 -22.866 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.016 25.168 -23.706 1.00 25.00 N ATOM 0 H HIS A 158 72.654 25.829 -18.029 1.00 25.00 H new ATOM 0 HA HIS A 158 70.081 24.822 -19.081 1.00 25.00 H new ATOM 0 HB2 HIS A 158 71.355 26.794 -20.090 1.00 25.00 H new ATOM 0 HB3 HIS A 158 72.585 25.642 -20.571 1.00 25.00 H new ATOM 0 HD1 HIS A 158 68.985 24.512 -20.781 1.00 25.00 H new ATOM 0 HD2 HIS A 158 71.942 26.102 -23.267 1.00 25.00 H new ATOM 0 HE1 HIS A 158 68.199 24.213 -23.170 1.00 25.00 H new ATOM 1235 N ARG A 159 71.914 22.769 -18.217 1.00 25.00 N ATOM 1236 CA ARG A 159 72.316 21.371 -18.213 1.00 25.00 C ATOM 1237 C ARG A 159 71.383 20.673 -17.272 1.00 25.00 C ATOM 1238 O ARG A 159 70.910 21.272 -16.313 1.00 25.00 O ATOM 1239 CB ARG A 159 73.738 21.192 -17.702 1.00 25.00 C ATOM 1240 CG ARG A 159 74.786 21.755 -18.609 1.00 25.00 C ATOM 1241 CD ARG A 159 76.151 21.460 -18.039 1.00 25.00 C ATOM 1242 NE ARG A 159 77.199 22.219 -18.732 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.470 22.281 -18.354 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.920 21.620 -17.315 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.295 23.030 -19.027 1.00 25.00 N ATOM 0 H ARG A 159 71.820 23.177 -17.287 1.00 25.00 H new ATOM 0 HA ARG A 159 72.279 20.973 -19.227 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.824 21.667 -16.725 1.00 25.00 H new ATOM 0 HB3 ARG A 159 73.930 20.129 -17.558 1.00 25.00 H new ATOM 0 HG2 ARG A 159 74.693 21.320 -19.604 1.00 25.00 H new ATOM 0 HG3 ARG A 159 74.649 22.831 -18.717 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.164 21.706 -16.977 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.358 20.393 -18.122 1.00 25.00 H new ATOM 0 HE ARG A 159 76.930 22.738 -19.568 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.287 21.035 -16.769 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.903 21.690 -17.052 1.00 25.00 H new ATOM 0 HH21 ARG A 159 78.962 23.559 -19.833 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.275 23.088 -18.748 1.00 25.00 H new ATOM 1259 N SER A 160 71.171 19.394 -17.499 1.00 25.00 N ATOM 1260 CA SER A 160 70.368 18.604 -16.591 1.00 25.00 C ATOM 1261 C SER A 160 71.226 18.094 -15.444 1.00 25.00 C ATOM 1262 O SER A 160 72.460 18.155 -15.493 1.00 25.00 O ATOM 1263 CB SER A 160 69.738 17.440 -17.333 1.00 25.00 C ATOM 1264 OG SER A 160 70.717 16.596 -17.912 1.00 25.00 O ATOM 0 H SER A 160 71.541 18.882 -18.300 1.00 25.00 H new ATOM 0 HA SER A 160 69.575 19.231 -16.183 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.120 16.862 -16.646 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.078 17.820 -18.113 1.00 25.00 H new ATOM 0 HG SER A 160 70.286 15.975 -18.536 1.00 25.00 H new ATOM 1270 N LEU A 161 70.578 17.576 -14.413 1.00 25.00 N ATOM 1271 CA LEU A 161 71.268 17.055 -13.231 1.00 25.00 C ATOM 1272 C LEU A 161 72.192 15.894 -13.590 1.00 25.00 C ATOM 1273 O LEU A 161 73.285 15.749 -13.022 1.00 25.00 O ATOM 1274 CB LEU A 161 70.219 16.564 -12.230 1.00 25.00 C ATOM 1275 CG LEU A 161 69.241 17.618 -11.696 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.098 16.906 -11.036 1.00 25.00 C ATOM 1277 CD2 LEU A 161 69.891 18.563 -10.704 1.00 25.00 C ATOM 0 H LEU A 161 69.562 17.502 -14.366 1.00 25.00 H new ATOM 0 HA LEU A 161 71.875 17.853 -12.804 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.641 15.770 -12.703 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.738 16.119 -11.381 1.00 25.00 H new ATOM 0 HG LEU A 161 68.899 18.224 -12.535 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.389 17.637 -10.648 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.598 16.267 -11.764 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.475 16.295 -10.215 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.155 19.289 -10.357 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.269 17.995 -9.854 1.00 25.00 H new ATOM 0 HD23 LEU A 161 70.717 19.086 -11.187 1.00 25.00 H new ATOM 1289 N ALA A 162 71.779 15.094 -14.562 1.00 25.00 N ATOM 1290 CA ALA A 162 72.581 13.970 -15.030 1.00 25.00 C ATOM 1291 C ALA A 162 73.945 14.441 -15.555 1.00 25.00 C ATOM 1292 O ALA A 162 74.939 13.734 -15.427 1.00 25.00 O ATOM 1293 CB ALA A 162 71.822 13.211 -16.124 1.00 25.00 C ATOM 0 H ALA A 162 70.887 15.203 -15.045 1.00 25.00 H new ATOM 0 HA ALA A 162 72.761 13.302 -14.188 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.426 12.372 -16.470 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.880 12.839 -15.722 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.620 13.882 -16.959 1.00 25.00 H new ATOM 1299 N SER A 163 74.001 15.651 -16.098 1.00 25.00 N ATOM 1300 CA SER A 163 75.255 16.201 -16.619 1.00 25.00 C ATOM 1301 C SER A 163 76.246 16.564 -15.510 1.00 25.00 C ATOM 1302 O SER A 163 77.437 16.722 -15.775 1.00 25.00 O ATOM 1303 CB SER A 163 74.982 17.444 -17.462 1.00 25.00 C ATOM 1304 OG SER A 163 76.181 17.918 -18.053 1.00 25.00 O ATOM 0 H SER A 163 73.197 16.272 -16.191 1.00 25.00 H new ATOM 0 HA SER A 163 75.704 15.418 -17.230 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.254 17.211 -18.239 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.544 18.224 -16.839 1.00 25.00 H new ATOM 0 HG SER A 163 76.951 17.539 -17.580 1.00 25.00 H new ATOM 1310 N TYR A 164 75.768 16.685 -14.278 1.00 25.00 N ATOM 1311 CA TYR A 164 76.645 16.947 -13.133 1.00 25.00 C ATOM 1312 C TYR A 164 76.921 15.655 -12.383 1.00 25.00 C ATOM 1313 O TYR A 164 77.701 15.636 -11.434 1.00 25.00 O ATOM 1314 CB TYR A 164 75.986 17.928 -12.168 1.00 25.00 C ATOM 1315 CG TYR A 164 76.125 19.363 -12.591 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.245 20.118 -12.192 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.140 19.983 -13.379 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.376 21.474 -12.564 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.259 21.345 -13.747 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.379 22.083 -13.328 1.00 25.00 C ATOM 1321 OH TYR A 164 76.536 23.406 -13.640 1.00 25.00 O ATOM 0 H TYR A 164 74.779 16.607 -14.041 1.00 25.00 H new ATOM 0 HA TYR A 164 77.575 17.370 -13.511 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.927 17.684 -12.079 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.426 17.804 -11.178 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.014 19.653 -11.593 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.283 19.414 -13.707 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.245 22.038 -12.258 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.493 21.814 -14.347 1.00 25.00 H new ATOM 0 HH TYR A 164 77.491 23.617 -13.701 1.00 25.00 H new ATOM 1331 N GLY A 165 76.244 14.588 -12.779 1.00 25.00 N ATOM 1332 CA GLY A 165 76.340 13.336 -12.055 1.00 25.00 C ATOM 1333 C GLY A 165 75.557 13.420 -10.761 1.00 25.00 C ATOM 1334 O GLY A 165 75.871 12.723 -9.803 1.00 25.00 O ATOM 0 H GLY A 165 75.628 14.566 -13.591 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.956 12.522 -12.669 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.385 13.109 -11.843 1.00 25.00 H new ATOM 1338 N LEU A 166 74.552 14.289 -10.723 1.00 25.00 N ATOM 1339 CA LEU A 166 73.737 14.460 -9.519 1.00 25.00 C ATOM 1340 C LEU A 166 72.784 13.285 -9.385 1.00 25.00 C ATOM 1341 O LEU A 166 71.631 13.339 -9.798 1.00 25.00 O ATOM 1342 CB LEU A 166 72.976 15.787 -9.571 1.00 25.00 C ATOM 1343 CG LEU A 166 73.774 16.949 -8.982 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.273 18.297 -9.471 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.694 16.891 -7.464 1.00 25.00 C ATOM 0 H LEU A 166 74.281 14.884 -11.506 1.00 25.00 H new ATOM 0 HA LEU A 166 74.385 14.487 -8.643 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.721 16.015 -10.606 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.037 15.684 -9.027 1.00 25.00 H new ATOM 0 HG LEU A 166 74.807 16.848 -9.314 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.871 19.091 -9.025 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.358 18.345 -10.557 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.229 18.424 -9.183 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.262 17.718 -7.038 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.653 16.967 -7.151 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.110 15.947 -7.114 1.00 25.00 H new ATOM 1357 N LYS A 167 73.324 12.202 -8.857 1.00 25.00 N ATOM 1358 CA LYS A 167 72.605 10.949 -8.680 1.00 25.00 C ATOM 1359 C LYS A 167 71.653 10.995 -7.501 1.00 25.00 C ATOM 1360 O LYS A 167 71.827 11.762 -6.568 1.00 25.00 O ATOM 1361 CB LYS A 167 73.624 9.838 -8.422 1.00 25.00 C ATOM 1362 CG LYS A 167 74.168 9.187 -9.693 1.00 25.00 C ATOM 1363 CD LYS A 167 73.219 8.104 -10.217 1.00 25.00 C ATOM 1364 CE LYS A 167 73.280 6.842 -9.342 1.00 25.00 C ATOM 1365 NZ LYS A 167 71.942 6.178 -9.214 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.290 12.165 -8.533 1.00 25.00 H new ATOM 0 HA LYS A 167 72.022 10.768 -9.583 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.457 10.248 -7.851 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.160 9.070 -7.803 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.313 9.948 -10.460 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.145 8.749 -9.490 1.00 25.00 H new ATOM 0 HD2 LYS A 167 72.199 8.488 -10.235 1.00 25.00 H new ATOM 0 HD3 LYS A 167 73.483 7.851 -11.244 1.00 25.00 H new ATOM 0 HE2 LYS A 167 73.994 6.138 -9.771 1.00 25.00 H new ATOM 0 HE3 LYS A 167 73.649 7.106 -8.351 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 71.893 5.667 -8.309 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 71.193 6.898 -9.246 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 71.811 5.507 -9.998 1.00 25.00 H new ATOM 1379 N ASP A 168 70.699 10.084 -7.518 1.00 25.00 N ATOM 1380 CA ASP A 168 69.814 9.852 -6.386 1.00 25.00 C ATOM 1381 C ASP A 168 70.661 9.597 -5.139 1.00 25.00 C ATOM 1382 O ASP A 168 71.497 8.697 -5.122 1.00 25.00 O ATOM 1383 CB ASP A 168 68.892 8.640 -6.653 1.00 25.00 C ATOM 1384 CG ASP A 168 69.538 7.578 -7.561 1.00 25.00 C ATOM 1385 OD1 ASP A 168 69.727 7.856 -8.775 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.839 6.461 -7.093 1.00 25.00 O1- ATOM 0 H ASP A 168 70.513 9.480 -8.319 1.00 25.00 H new ATOM 0 HA ASP A 168 69.186 10.730 -6.236 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.621 8.181 -5.702 1.00 25.00 H new ATOM 0 HB3 ASP A 168 67.967 8.989 -7.113 1.00 25.00 H new ATOM 1391 N GLY A 169 70.454 10.423 -4.121 1.00 25.00 N ATOM 1392 CA GLY A 169 71.209 10.326 -2.881 1.00 25.00 C ATOM 1393 C GLY A 169 72.197 11.463 -2.669 1.00 25.00 C ATOM 1394 O GLY A 169 72.595 11.720 -1.534 1.00 25.00 O ATOM 0 H GLY A 169 69.763 11.173 -4.132 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.512 10.303 -2.044 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.751 9.380 -2.870 1.00 25.00 H new ATOM 1398 N ASP A 170 72.585 12.154 -3.733 1.00 25.00 N ATOM 1399 CA ASP A 170 73.539 13.264 -3.614 1.00 25.00 C ATOM 1400 C ASP A 170 72.910 14.477 -2.929 1.00 25.00 C ATOM 1401 O ASP A 170 71.682 14.621 -2.857 1.00 25.00 O ATOM 1402 CB ASP A 170 74.079 13.684 -4.989 1.00 25.00 C ATOM 1403 CG ASP A 170 75.184 12.767 -5.485 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.068 12.412 -4.675 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.202 12.444 -6.692 1.00 25.00 O1- ATOM 0 H ASP A 170 72.261 11.973 -4.683 1.00 25.00 H new ATOM 0 HA ASP A 170 74.364 12.902 -3.000 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.262 13.687 -5.711 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.457 14.705 -4.931 1.00 25.00 H new ATOM 1410 N VAL A 171 73.768 15.354 -2.424 1.00 25.00 N ATOM 1411 CA VAL A 171 73.338 16.547 -1.698 1.00 25.00 C ATOM 1412 C VAL A 171 74.006 17.792 -2.286 1.00 25.00 C ATOM 1413 O VAL A 171 75.193 17.776 -2.619 1.00 25.00 O ATOM 1414 CB VAL A 171 73.639 16.395 -0.157 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.110 16.039 0.096 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.252 17.665 0.629 1.00 25.00 C ATOM 0 H VAL A 171 74.781 15.261 -2.505 1.00 25.00 H new ATOM 0 HA VAL A 171 72.260 16.663 -1.810 1.00 25.00 H new ATOM 0 HB VAL A 171 73.021 15.573 0.205 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.282 15.942 1.168 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.346 15.095 -0.396 1.00 25.00 H new ATOM 0 HG13 VAL A 171 75.749 16.826 -0.304 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.475 17.521 1.686 1.00 25.00 H new ATOM 0 HG22 VAL A 171 73.821 18.514 0.251 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.186 17.859 0.506 1.00 25.00 H new ATOM 1426 N VAL A 172 73.244 18.874 -2.417 1.00 25.00 N ATOM 1427 CA VAL A 172 73.783 20.141 -2.913 1.00 25.00 C ATOM 1428 C VAL A 172 73.762 21.135 -1.764 1.00 25.00 C ATOM 1429 O VAL A 172 73.034 20.948 -0.788 1.00 25.00 O ATOM 1430 CB VAL A 172 72.974 20.694 -4.127 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.985 19.685 -5.273 1.00 25.00 C ATOM 1432 CG2 VAL A 172 71.532 21.004 -3.737 1.00 25.00 C ATOM 0 H VAL A 172 72.251 18.901 -2.187 1.00 25.00 H new ATOM 0 HA VAL A 172 74.800 19.980 -3.271 1.00 25.00 H new ATOM 0 HB VAL A 172 73.452 21.619 -4.450 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.417 20.083 -6.114 1.00 25.00 H new ATOM 0 HG12 VAL A 172 74.013 19.500 -5.585 1.00 25.00 H new ATOM 0 HG13 VAL A 172 72.533 18.751 -4.940 1.00 25.00 H new ATOM 0 HG21 VAL A 172 70.995 21.387 -4.604 1.00 25.00 H new ATOM 0 HG22 VAL A 172 71.047 20.094 -3.383 1.00 25.00 H new ATOM 0 HG23 VAL A 172 71.522 21.752 -2.944 1.00 25.00 H new ATOM 1442 N ILE A 173 74.571 22.176 -1.862 1.00 25.00 N ATOM 1443 CA ILE A 173 74.679 23.170 -0.800 1.00 25.00 C ATOM 1444 C ILE A 173 74.298 24.525 -1.370 1.00 25.00 C ATOM 1445 O ILE A 173 74.814 24.951 -2.396 1.00 25.00 O ATOM 1446 CB ILE A 173 76.124 23.208 -0.214 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.459 21.850 0.442 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.273 24.368 0.816 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.938 21.671 0.830 1.00 25.00 C ATOM 0 H ILE A 173 75.167 22.358 -2.670 1.00 25.00 H new ATOM 0 HA ILE A 173 74.005 22.907 0.015 1.00 25.00 H new ATOM 0 HB ILE A 173 76.827 23.390 -1.027 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.846 21.733 1.336 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.178 21.051 -0.244 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.289 24.375 1.212 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.068 25.319 0.325 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.566 24.222 1.633 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.079 20.690 1.283 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.560 21.752 -0.061 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.223 22.444 1.543 1.00 25.00 H new ATOM 1461 N LEU A 174 73.398 25.206 -0.688 1.00 25.00 N ATOM 1462 CA LEU A 174 72.947 26.532 -1.076 1.00 25.00 C ATOM 1463 C LEU A 174 73.382 27.467 0.043 1.00 25.00 C ATOM 1464 O LEU A 174 73.233 27.138 1.207 1.00 25.00 O ATOM 1465 CB LEU A 174 71.422 26.509 -1.253 1.00 25.00 C ATOM 1466 CG LEU A 174 70.724 27.832 -1.605 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.505 27.551 -2.482 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.277 28.578 -0.337 1.00 25.00 C ATOM 0 H LEU A 174 72.954 24.853 0.160 1.00 25.00 H new ATOM 0 HA LEU A 174 73.371 26.866 -2.023 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.186 25.787 -2.035 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.983 26.133 -0.329 1.00 25.00 H new ATOM 0 HG LEU A 174 71.435 28.459 -2.143 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.011 28.490 -2.731 1.00 25.00 H new ATOM 0 HD12 LEU A 174 69.823 27.055 -3.399 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.810 26.907 -1.943 1.00 25.00 H new ATOM 0 HD21 LEU A 174 69.786 29.510 -0.617 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.580 27.956 0.225 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.147 28.798 0.282 1.00 25.00 H new ATOM 1480 N ARG A 175 73.953 28.612 -0.299 1.00 25.00 N ATOM 1481 CA ARG A 175 74.401 29.584 0.707 1.00 25.00 C ATOM 1482 C ARG A 175 73.820 30.955 0.424 1.00 25.00 C ATOM 1483 O ARG A 175 74.106 31.559 -0.605 1.00 25.00 O ATOM 1484 CB ARG A 175 75.928 29.670 0.733 1.00 25.00 C ATOM 1485 CG ARG A 175 76.587 28.417 1.281 1.00 25.00 C ATOM 1486 CD ARG A 175 78.085 28.606 1.435 1.00 25.00 C ATOM 1487 NE ARG A 175 78.704 27.439 2.086 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.995 27.314 2.369 1.00 25.00 C ATOM 1489 NH1 ARG A 175 80.872 28.245 2.074 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.414 26.231 2.962 1.00 25.00 N ATOM 0 H ARG A 175 74.120 28.898 -1.264 1.00 25.00 H new ATOM 0 HA ARG A 175 74.048 29.243 1.680 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.293 29.852 -0.278 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.227 30.525 1.339 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.149 28.165 2.247 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.391 27.578 0.613 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.537 28.762 0.456 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.283 29.502 2.024 1.00 25.00 H new ATOM 0 HE ARG A 175 78.091 26.664 2.340 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.570 29.102 1.611 1.00 25.00 H new ATOM 0 HH12 ARG A 175 81.856 28.111 2.308 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.752 25.493 3.203 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.403 26.122 3.185 1.00 25.00 H new ATOM 1504 N GLN A 176 73.011 31.440 1.369 1.00 25.00 N ATOM 1505 CA GLN A 176 72.360 32.754 1.299 1.00 25.00 C ATOM 1506 C GLN A 176 73.006 33.748 2.274 1.00 25.00 C ATOM 1507 O GLN A 176 73.298 33.479 3.429 1.00 25.00 O ATOM 1508 CB GLN A 176 70.837 32.599 1.533 1.00 25.00 C ATOM 1509 CG GLN A 176 70.060 33.927 1.338 1.00 25.00 C ATOM 1510 CD GLN A 176 69.782 34.658 2.637 1.00 25.00 C ATOM 1511 OE1 GLN A 176 70.124 34.279 3.736 1.00 25.00 O ATOM 1512 NE2 GLN A 176 69.082 35.769 2.536 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.261 34.815 1.787 1.00 25.00 O ATOM 0 H GLN A 176 72.785 30.923 2.219 1.00 25.00 H new ATOM 0 HA GLN A 176 72.502 33.170 0.301 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.443 31.849 0.847 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.665 32.228 2.543 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.631 34.580 0.677 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.114 33.716 0.839 1.00 25.00 H new ATOM 0 HE21 GLN A 176 68.785 36.103 1.619 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.836 36.295 3.375 1.00 25.00 H new TER 1523 GLN A 176