USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 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 71 MET CE :methyl -120:sc= -1.58 (180deg=-0.588) USER MOD Set 1.2: A 87 CYS SG : rot -6:sc= -0.827 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= -0.0484 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00232) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0896 (180deg=-0.605) USER MOD Single : A 2 SER OG : rot -71:sc= 0.707 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.92 F(o=-3.3!,f=-0.92) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.245 F(o=-0.84,f=-0.24) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -1.75 F(o=-3.1!,f=-1.7) USER MOD Single : A 20 SER OG : rot 16:sc= 0.267 USER MOD Single : A 24 GLN : amide:sc= -3.98 K(o=-4,f=-11!) USER MOD Single : A 34 HIS : no HE2:sc= -0.301 K(o=-0.3,f=-1.9) USER MOD Single : A 45 GLN : amide:sc= -0.569 K(o=-0.57,f=-3.2!) USER MOD Single : A 47 GLN : amide:sc= -9.26! C(o=-9.3!,f=-12!) USER MOD Single : A 50 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.4!) USER MOD Single : A 54 GLN : amide:sc= -0.426 K(o=-0.43,f=-3.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.376 F(o=-2.6,f=-0.38) USER MOD Single : A 89 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-5.6!) USER MOD Single : A 94 SER OG : rot 69:sc= 0.348 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=-0.17) USER MOD Single : A 105 ASN :FLIP amide:sc= -4.57! C(o=-6.5!,f=-4.6!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-13!) USER MOD Single : A 501 C2E O2' : rot -21:sc= 0.222 USER MOD Single : A 501 C2E O2A : rot -16:sc= 0.304 USER MOD Single : A 502 C2E O2' : rot -16:sc= -0.337 USER MOD Single : A 502 C2E O2A : rot -17:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 109.745 27.318 9.809 1.00 0.00 N ATOM 2 CA MET A 1 108.388 26.741 9.589 1.00 0.00 C ATOM 3 C MET A 1 108.501 25.510 8.697 1.00 0.00 C ATOM 4 O MET A 1 109.057 25.578 7.601 1.00 0.00 O ATOM 5 CB MET A 1 107.491 27.792 8.923 1.00 0.00 C ATOM 6 CG MET A 1 107.214 28.939 9.904 1.00 0.00 C ATOM 7 SD MET A 1 105.589 28.700 10.674 1.00 0.00 S ATOM 8 CE MET A 1 106.171 28.317 12.346 1.00 0.00 C ATOM 0 H1 MET A 1 109.789 27.752 10.753 1.00 0.00 H new ATOM 0 H2 MET A 1 110.458 26.564 9.741 1.00 0.00 H new ATOM 0 H3 MET A 1 109.936 28.042 9.087 1.00 0.00 H new ATOM 0 HA MET A 1 107.950 26.451 10.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 107.973 28.178 8.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 106.552 27.335 8.609 1.00 0.00 H new ATOM 0 HG2 MET A 1 107.989 28.972 10.669 1.00 0.00 H new ATOM 0 HG3 MET A 1 107.243 29.894 9.380 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.315 28.167 13.004 1.00 0.00 H new ATOM 0 HE2 MET A 1 106.774 27.409 12.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.775 29.144 12.719 1.00 0.00 H new ATOM 18 N SER A 2 107.979 24.386 9.188 1.00 0.00 N ATOM 19 CA SER A 2 108.022 23.122 8.449 1.00 0.00 C ATOM 20 C SER A 2 109.263 22.324 8.833 1.00 0.00 C ATOM 21 O SER A 2 109.819 21.590 8.017 1.00 0.00 O ATOM 22 CB SER A 2 108.019 23.370 6.936 1.00 0.00 C ATOM 23 OG SER A 2 109.353 23.584 6.492 1.00 0.00 O ATOM 0 H SER A 2 107.520 24.324 10.097 1.00 0.00 H new ATOM 0 HA SER A 2 107.131 22.551 8.711 1.00 0.00 H new ATOM 0 HB2 SER A 2 107.583 22.516 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 107.401 24.236 6.699 1.00 0.00 H new ATOM 0 HG SER A 2 109.668 24.455 6.811 1.00 0.00 H new ATOM 29 N ASP A 3 109.663 22.441 10.098 1.00 0.00 N ATOM 30 CA ASP A 3 110.811 21.687 10.600 1.00 0.00 C ATOM 31 C ASP A 3 110.318 20.467 11.371 1.00 0.00 C ATOM 32 O ASP A 3 111.042 19.896 12.187 1.00 0.00 O ATOM 33 CB ASP A 3 111.705 22.561 11.483 1.00 0.00 C ATOM 34 CG ASP A 3 110.879 23.188 12.600 1.00 0.00 C ATOM 35 OD1 ASP A 3 110.030 22.499 13.142 1.00 0.00 O ATOM 36 OD2 ASP A 3 111.108 24.349 12.898 1.00 0.00 O ATOM 0 H ASP A 3 109.215 23.044 10.788 1.00 0.00 H new ATOM 0 HA ASP A 3 111.412 21.358 9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 3 112.510 21.961 11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 3 112.172 23.342 10.882 1.00 0.00 H new ATOM 41 N GLN A 4 109.085 20.059 11.073 1.00 0.00 N ATOM 42 CA GLN A 4 108.499 18.881 11.711 1.00 0.00 C ATOM 43 C GLN A 4 108.286 17.780 10.674 1.00 0.00 C ATOM 44 O GLN A 4 108.196 16.600 11.015 1.00 0.00 O ATOM 45 CB GLN A 4 107.181 19.237 12.413 1.00 0.00 C ATOM 46 CG GLN A 4 107.301 18.964 13.916 1.00 0.00 C ATOM 47 CD GLN A 4 107.463 17.467 14.167 1.00 0.00 C ATOM 48 OE1 GLN A 4 107.081 16.612 13.257 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 107.949 17.065 15.225 1.00 0.00 N flip ATOM 0 H GLN A 4 108.476 20.523 10.399 1.00 0.00 H new ATOM 0 HA GLN A 4 109.189 18.515 12.471 1.00 0.00 H new ATOM 0 HB2 GLN A 4 106.940 20.286 12.243 1.00 0.00 H new ATOM 0 HB3 GLN A 4 106.364 18.650 11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 4 108.156 19.503 14.324 1.00 0.00 H new ATOM 0 HG3 GLN A 4 106.415 19.333 14.432 1.00 0.00 H new ATOM 0 HE21 GLN A 4 108.247 17.733 15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 4 108.053 16.064 15.391 1.00 0.00 H new ATOM 58 N HIS A 5 108.219 18.176 9.407 1.00 0.00 N ATOM 59 CA HIS A 5 108.033 17.216 8.325 1.00 0.00 C ATOM 60 C HIS A 5 109.257 16.321 8.204 1.00 0.00 C ATOM 61 O HIS A 5 109.338 15.485 7.304 1.00 0.00 O ATOM 62 CB HIS A 5 107.808 17.952 7.005 1.00 0.00 C ATOM 63 CG HIS A 5 106.648 18.898 7.152 1.00 0.00 C ATOM 64 ND1 HIS A 5 105.599 18.931 8.036 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 106.470 19.987 6.313 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 104.781 20.020 7.752 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 105.351 20.622 6.706 1.00 0.00 N flip ATOM 0 H HIS A 5 108.290 19.148 9.106 1.00 0.00 H new ATOM 0 HA HIS A 5 107.160 16.603 8.549 1.00 0.00 H new ATOM 0 HB2 HIS A 5 108.707 18.502 6.725 1.00 0.00 H new ATOM 0 HB3 HIS A 5 107.610 17.237 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 5 107.112 20.273 5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 5 103.879 20.315 8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 5 104.983 21.462 6.259 1.00 0.00 H new ATOM 75 N ASP A 6 110.207 16.503 9.118 1.00 0.00 N ATOM 76 CA ASP A 6 111.427 15.705 9.107 1.00 0.00 C ATOM 77 C ASP A 6 111.111 14.271 8.708 1.00 0.00 C ATOM 78 O ASP A 6 110.032 13.759 9.009 1.00 0.00 O ATOM 79 CB ASP A 6 112.083 15.724 10.489 1.00 0.00 C ATOM 80 CG ASP A 6 112.704 17.092 10.752 1.00 0.00 C ATOM 81 OD1 ASP A 6 112.484 17.984 9.951 1.00 0.00 O ATOM 82 OD2 ASP A 6 113.389 17.226 11.753 1.00 0.00 O ATOM 0 H ASP A 6 110.155 17.191 9.869 1.00 0.00 H new ATOM 0 HA ASP A 6 112.117 16.134 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 6 111.342 15.498 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 6 112.849 14.950 10.548 1.00 0.00 H new ATOM 87 N GLU A 7 112.045 13.628 8.020 1.00 0.00 N ATOM 88 CA GLU A 7 111.834 12.257 7.579 1.00 0.00 C ATOM 89 C GLU A 7 112.098 11.272 8.712 1.00 0.00 C ATOM 90 O GLU A 7 113.095 11.376 9.427 1.00 0.00 O ATOM 91 CB GLU A 7 112.709 11.942 6.361 1.00 0.00 C ATOM 92 CG GLU A 7 114.114 11.538 6.814 1.00 0.00 C ATOM 93 CD GLU A 7 115.109 11.742 5.676 1.00 0.00 C ATOM 94 OE1 GLU A 7 114.686 11.705 4.532 1.00 0.00 O ATOM 95 OE2 GLU A 7 116.280 11.932 5.964 1.00 0.00 O ATOM 0 H GLU A 7 112.946 14.028 7.758 1.00 0.00 H new ATOM 0 HA GLU A 7 110.790 12.151 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 7 112.260 11.137 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.765 12.813 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.411 12.132 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 7 114.117 10.494 7.128 1.00 0.00 H new ATOM 102 N ARG A 8 111.187 10.314 8.867 1.00 0.00 N ATOM 103 CA ARG A 8 111.307 9.301 9.911 1.00 0.00 C ATOM 104 C ARG A 8 111.340 7.896 9.302 1.00 0.00 C ATOM 105 O ARG A 8 111.691 6.928 9.978 1.00 0.00 O ATOM 106 CB ARG A 8 110.114 9.393 10.869 1.00 0.00 C ATOM 107 CG ARG A 8 110.334 10.508 11.907 1.00 0.00 C ATOM 108 CD ARG A 8 109.955 11.871 11.318 1.00 0.00 C ATOM 109 NE ARG A 8 108.611 11.834 10.747 1.00 0.00 N ATOM 110 CZ ARG A 8 107.869 12.937 10.659 1.00 0.00 C ATOM 111 NH1 ARG A 8 108.332 14.073 11.105 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.677 12.882 10.130 1.00 0.00 N ATOM 0 H ARG A 8 110.357 10.219 8.282 1.00 0.00 H new ATOM 0 HA ARG A 8 112.236 9.482 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 8 109.202 9.590 10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.975 8.439 11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.734 10.310 12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.377 10.519 12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 110.004 12.634 12.095 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.674 12.152 10.549 1.00 0.00 H new ATOM 0 HE ARG A 8 108.234 10.948 10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 8 109.262 14.116 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.764 14.917 11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.313 11.994 9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 8 106.109 13.727 10.063 1.00 0.00 H new ATOM 126 N ARG A 9 110.978 7.793 8.022 1.00 0.00 N ATOM 127 CA ARG A 9 110.974 6.502 7.330 1.00 0.00 C ATOM 128 C ARG A 9 112.089 6.464 6.297 1.00 0.00 C ATOM 129 O ARG A 9 111.840 6.474 5.093 1.00 0.00 O ATOM 130 CB ARG A 9 109.621 6.241 6.649 1.00 0.00 C ATOM 131 CG ARG A 9 109.002 7.557 6.179 1.00 0.00 C ATOM 132 CD ARG A 9 107.596 7.301 5.633 1.00 0.00 C ATOM 133 NE ARG A 9 106.821 8.542 5.642 1.00 0.00 N ATOM 134 CZ ARG A 9 106.569 9.220 4.522 1.00 0.00 C ATOM 135 NH1 ARG A 9 107.019 8.791 3.373 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.868 10.319 4.574 1.00 0.00 N ATOM 0 H ARG A 9 110.685 8.582 7.446 1.00 0.00 H new ATOM 0 HA ARG A 9 111.138 5.720 8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.757 5.571 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.946 5.742 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.958 8.265 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.626 8.008 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.657 6.908 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.094 6.545 6.237 1.00 0.00 H new ATOM 0 HE ARG A 9 106.464 8.898 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 9 107.567 7.932 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 9 106.822 9.315 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.515 10.657 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.673 10.841 3.719 1.00 0.00 H new ATOM 150 N ARG A 10 113.316 6.421 6.797 1.00 0.00 N ATOM 151 CA ARG A 10 114.511 6.383 5.950 1.00 0.00 C ATOM 152 C ARG A 10 114.355 7.264 4.706 1.00 0.00 C ATOM 153 O ARG A 10 114.974 8.325 4.614 1.00 0.00 O ATOM 154 CB ARG A 10 114.846 4.935 5.538 1.00 0.00 C ATOM 155 CG ARG A 10 114.197 3.940 6.515 1.00 0.00 C ATOM 156 CD ARG A 10 112.785 3.555 6.036 1.00 0.00 C ATOM 157 NE ARG A 10 111.823 3.694 7.123 1.00 0.00 N ATOM 158 CZ ARG A 10 112.053 3.169 8.323 1.00 0.00 C ATOM 159 NH1 ARG A 10 113.140 2.483 8.543 1.00 0.00 N ATOM 160 NH2 ARG A 10 111.185 3.338 9.280 1.00 0.00 N ATOM 0 H ARG A 10 113.516 6.411 7.797 1.00 0.00 H new ATOM 0 HA ARG A 10 115.336 6.781 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.490 4.746 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.927 4.793 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.816 3.046 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 10 114.142 4.382 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.492 4.190 5.200 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.785 2.528 5.672 1.00 0.00 H new ATOM 0 HE ARG A 10 110.955 4.205 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.818 2.347 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.312 2.082 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.333 3.871 9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 10 111.358 2.937 10.202 1.00 0.00 H new ATOM 174 N PHE A 11 113.537 6.825 3.750 1.00 0.00 N ATOM 175 CA PHE A 11 113.331 7.592 2.524 1.00 0.00 C ATOM 176 C PHE A 11 111.914 7.386 1.994 1.00 0.00 C ATOM 177 O PHE A 11 111.180 6.523 2.475 1.00 0.00 O ATOM 178 CB PHE A 11 114.348 7.153 1.460 1.00 0.00 C ATOM 179 CG PHE A 11 115.552 8.067 1.494 1.00 0.00 C ATOM 180 CD1 PHE A 11 116.539 7.892 2.472 1.00 0.00 C ATOM 181 CD2 PHE A 11 115.678 9.090 0.548 1.00 0.00 C ATOM 182 CE1 PHE A 11 117.652 8.742 2.502 1.00 0.00 C ATOM 183 CE2 PHE A 11 116.790 9.939 0.578 1.00 0.00 C ATOM 184 CZ PHE A 11 117.778 9.765 1.555 1.00 0.00 C ATOM 0 H PHE A 11 113.012 5.952 3.800 1.00 0.00 H new ATOM 0 HA PHE A 11 113.471 8.650 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.656 6.123 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 11 113.888 7.179 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.442 7.102 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 11 114.917 9.225 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 11 118.413 8.608 3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 11 116.886 10.729 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 11 118.637 10.420 1.578 1.00 0.00 H new ATOM 194 N HIS A 12 111.540 8.184 0.997 1.00 0.00 N ATOM 195 CA HIS A 12 110.212 8.077 0.407 1.00 0.00 C ATOM 196 C HIS A 12 110.019 6.697 -0.216 1.00 0.00 C ATOM 197 O HIS A 12 110.942 6.140 -0.809 1.00 0.00 O ATOM 198 CB HIS A 12 110.021 9.164 -0.658 1.00 0.00 C ATOM 199 CG HIS A 12 110.718 8.760 -1.929 1.00 0.00 C ATOM 200 ND1 HIS A 12 111.985 8.291 -2.170 1.00 0.00 N flip ATOM 201 CD2 HIS A 12 110.092 8.812 -3.165 1.00 0.00 C flip ATOM 202 CE1 HIS A 12 112.147 8.055 -3.532 1.00 0.00 C flip ATOM 203 NE2 HIS A 12 110.977 8.385 -4.086 1.00 0.00 N flip ATOM 0 H HIS A 12 112.133 8.905 0.585 1.00 0.00 H new ATOM 0 HA HIS A 12 109.469 8.214 1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 12 108.959 9.317 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 12 110.421 10.112 -0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 12 109.079 9.136 -3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 12 113.029 7.685 -4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 12 110.778 8.321 -5.084 1.00 0.00 H new ATOM 211 N ARG A 13 108.816 6.151 -0.075 1.00 0.00 N ATOM 212 CA ARG A 13 108.518 4.831 -0.624 1.00 0.00 C ATOM 213 C ARG A 13 108.028 4.947 -2.065 1.00 0.00 C ATOM 214 O ARG A 13 108.022 6.033 -2.644 1.00 0.00 O ATOM 215 CB ARG A 13 107.447 4.134 0.225 1.00 0.00 C ATOM 216 CG ARG A 13 107.715 4.374 1.723 1.00 0.00 C ATOM 217 CD ARG A 13 106.510 5.068 2.357 1.00 0.00 C ATOM 218 NE ARG A 13 106.286 6.366 1.729 1.00 0.00 N ATOM 219 CZ ARG A 13 105.224 7.102 2.033 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.357 6.666 2.905 1.00 0.00 N ATOM 221 NH2 ARG A 13 105.046 8.262 1.460 1.00 0.00 N ATOM 0 H ARG A 13 108.037 6.596 0.410 1.00 0.00 H new ATOM 0 HA ARG A 13 109.434 4.240 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.460 4.512 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.446 3.064 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 13 107.906 3.425 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 13 108.608 4.987 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.623 4.445 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.677 5.198 3.426 1.00 0.00 H new ATOM 0 HE ARG A 13 106.957 6.714 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.495 5.760 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.541 7.231 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 13 105.723 8.603 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 13 104.230 8.827 1.694 1.00 0.00 H new ATOM 235 N ILE A 14 107.615 3.819 -2.633 1.00 0.00 N ATOM 236 CA ILE A 14 107.119 3.800 -4.005 1.00 0.00 C ATOM 237 C ILE A 14 105.669 4.252 -4.047 1.00 0.00 C ATOM 238 O ILE A 14 104.759 3.463 -3.789 1.00 0.00 O ATOM 239 CB ILE A 14 107.227 2.390 -4.583 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.704 2.004 -4.732 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.549 2.344 -5.955 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.365 1.915 -3.352 1.00 0.00 C ATOM 0 H ILE A 14 107.613 2.911 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 14 107.725 4.483 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 14 106.735 1.688 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.788 1.047 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.221 2.742 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.627 1.337 -6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.498 2.613 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.039 3.049 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.413 1.640 -3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.296 2.881 -2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 14 108.856 1.160 -2.753 1.00 0.00 H new ATOM 254 N ALA A 15 105.453 5.524 -4.362 1.00 0.00 N ATOM 255 CA ALA A 15 104.097 6.054 -4.418 1.00 0.00 C ATOM 256 C ALA A 15 103.526 5.970 -5.825 1.00 0.00 C ATOM 257 O ALA A 15 104.053 6.565 -6.766 1.00 0.00 O ATOM 258 CB ALA A 15 104.085 7.513 -3.965 1.00 0.00 C ATOM 0 H ALA A 15 106.187 6.198 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 15 103.480 5.450 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.067 7.900 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.453 7.579 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.727 8.103 -4.620 1.00 0.00 H new ATOM 264 N PHE A 16 102.420 5.252 -5.941 1.00 0.00 N ATOM 265 CA PHE A 16 101.721 5.101 -7.207 1.00 0.00 C ATOM 266 C PHE A 16 100.238 4.924 -6.923 1.00 0.00 C ATOM 267 O PHE A 16 99.864 4.523 -5.821 1.00 0.00 O ATOM 268 CB PHE A 16 102.276 3.911 -8.001 1.00 0.00 C ATOM 269 CG PHE A 16 101.891 2.607 -7.340 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.286 2.340 -6.024 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.152 1.654 -8.056 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.939 1.126 -5.423 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.810 0.438 -7.453 1.00 0.00 C ATOM 274 CZ PHE A 16 101.203 0.176 -6.137 1.00 0.00 C ATOM 0 H PHE A 16 101.983 4.759 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 16 101.871 5.992 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.892 3.936 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.361 3.985 -8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.859 3.071 -5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.847 1.858 -9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.240 0.922 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.243 -0.298 -8.004 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.938 -0.762 -5.671 1.00 0.00 H new ATOM 284 N ASP A 17 99.387 5.230 -7.892 1.00 0.00 N ATOM 285 CA ASP A 17 97.949 5.099 -7.679 1.00 0.00 C ATOM 286 C ASP A 17 97.450 3.757 -8.198 1.00 0.00 C ATOM 287 O ASP A 17 97.970 3.227 -9.180 1.00 0.00 O ATOM 288 CB ASP A 17 97.212 6.231 -8.397 1.00 0.00 C ATOM 289 CG ASP A 17 95.794 6.360 -7.849 1.00 0.00 C ATOM 290 OD1 ASP A 17 94.992 5.481 -8.120 1.00 0.00 O ATOM 291 OD2 ASP A 17 95.531 7.336 -7.167 1.00 0.00 O ATOM 0 H ASP A 17 99.658 5.565 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 17 97.752 5.157 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.750 7.169 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.180 6.033 -9.468 1.00 0.00 H new ATOM 296 N ALA A 18 96.436 3.215 -7.532 1.00 0.00 N ATOM 297 CA ALA A 18 95.865 1.935 -7.932 1.00 0.00 C ATOM 298 C ALA A 18 94.741 1.541 -6.985 1.00 0.00 C ATOM 299 O ALA A 18 94.467 2.230 -6.003 1.00 0.00 O ATOM 300 CB ALA A 18 96.942 0.847 -7.941 1.00 0.00 C ATOM 0 H ALA A 18 95.995 3.640 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 18 95.462 2.038 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.498 -0.102 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.728 1.119 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.368 0.748 -6.942 1.00 0.00 H new ATOM 306 N ASP A 19 94.089 0.428 -7.293 1.00 0.00 N ATOM 307 CA ASP A 19 92.987 -0.051 -6.470 1.00 0.00 C ATOM 308 C ASP A 19 93.466 -1.104 -5.478 1.00 0.00 C ATOM 309 O ASP A 19 94.201 -2.023 -5.840 1.00 0.00 O ATOM 310 CB ASP A 19 91.893 -0.641 -7.366 1.00 0.00 C ATOM 311 CG ASP A 19 91.894 0.059 -8.720 1.00 0.00 C ATOM 312 OD1 ASP A 19 91.977 1.276 -8.735 1.00 0.00 O ATOM 313 OD2 ASP A 19 91.811 -0.631 -9.724 1.00 0.00 O ATOM 0 H ASP A 19 94.302 -0.157 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 19 92.584 0.791 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 19 92.058 -1.710 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 19 90.920 -0.526 -6.889 1.00 0.00 H new ATOM 318 N SER A 20 93.033 -0.972 -4.229 1.00 0.00 N ATOM 319 CA SER A 20 93.403 -1.924 -3.191 1.00 0.00 C ATOM 320 C SER A 20 92.185 -2.274 -2.344 1.00 0.00 C ATOM 321 O SER A 20 91.212 -1.530 -2.312 1.00 0.00 O ATOM 322 CB SER A 20 94.482 -1.316 -2.297 1.00 0.00 C ATOM 323 OG SER A 20 94.101 0.005 -1.939 1.00 0.00 O ATOM 0 H SER A 20 92.426 -0.216 -3.912 1.00 0.00 H new ATOM 0 HA SER A 20 93.785 -2.829 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.615 -1.924 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.439 -1.303 -2.819 1.00 0.00 H new ATOM 0 HG SER A 20 93.147 0.131 -2.122 1.00 0.00 H new ATOM 329 N GLU A 21 92.247 -3.398 -1.646 1.00 0.00 N ATOM 330 CA GLU A 21 91.143 -3.810 -0.782 1.00 0.00 C ATOM 331 C GLU A 21 91.711 -4.578 0.404 1.00 0.00 C ATOM 332 O GLU A 21 92.723 -5.267 0.273 1.00 0.00 O ATOM 333 CB GLU A 21 90.127 -4.654 -1.565 1.00 0.00 C ATOM 334 CG GLU A 21 90.569 -6.117 -1.616 1.00 0.00 C ATOM 335 CD GLU A 21 90.036 -6.869 -0.402 1.00 0.00 C ATOM 336 OE1 GLU A 21 89.703 -6.220 0.575 1.00 0.00 O ATOM 337 OE2 GLU A 21 89.965 -8.086 -0.469 1.00 0.00 O ATOM 0 H GLU A 21 93.041 -4.038 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 21 90.612 -2.932 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 89.146 -4.581 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 90.025 -4.264 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.204 -6.583 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 91.657 -6.175 -1.641 1.00 0.00 H new ATOM 344 N ILE A 22 91.091 -4.426 1.570 1.00 0.00 N ATOM 345 CA ILE A 22 91.599 -5.089 2.772 1.00 0.00 C ATOM 346 C ILE A 22 90.579 -6.049 3.370 1.00 0.00 C ATOM 347 O ILE A 22 89.402 -5.736 3.480 1.00 0.00 O ATOM 348 CB ILE A 22 91.984 -4.025 3.800 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.275 -3.341 3.339 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.199 -4.669 5.171 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.588 -2.151 4.244 1.00 0.00 C ATOM 0 H ILE A 22 90.253 -3.862 1.711 1.00 0.00 H new ATOM 0 HA ILE A 22 92.471 -5.680 2.494 1.00 0.00 H new ATOM 0 HB ILE A 22 91.183 -3.291 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.101 -4.052 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.170 -3.006 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.473 -3.901 5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.279 -5.158 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 22 92.998 -5.407 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.507 -1.671 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.768 -1.435 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.713 -2.497 5.270 1.00 0.00 H new ATOM 363 N LEU A 23 91.061 -7.221 3.766 1.00 0.00 N ATOM 364 CA LEU A 23 90.210 -8.241 4.364 1.00 0.00 C ATOM 365 C LEU A 23 90.653 -8.534 5.787 1.00 0.00 C ATOM 366 O LEU A 23 91.799 -8.909 6.032 1.00 0.00 O ATOM 367 CB LEU A 23 90.275 -9.532 3.538 1.00 0.00 C ATOM 368 CG LEU A 23 90.659 -9.187 2.098 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.186 -9.070 1.974 1.00 0.00 C ATOM 370 CD2 LEU A 23 90.146 -10.282 1.155 1.00 0.00 C ATOM 0 H LEU A 23 92.042 -7.489 3.683 1.00 0.00 H new ATOM 0 HA LEU A 23 89.186 -7.868 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.006 -10.217 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.311 -10.040 3.558 1.00 0.00 H new ATOM 0 HG LEU A 23 90.208 -8.233 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.450 -8.824 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.546 -8.284 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.647 -10.018 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.420 -10.036 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.592 -11.238 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 23 89.061 -10.352 1.234 1.00 0.00 H new ATOM 382 N GLN A 24 89.727 -8.375 6.713 1.00 0.00 N ATOM 383 CA GLN A 24 90.011 -8.641 8.121 1.00 0.00 C ATOM 384 C GLN A 24 88.946 -9.560 8.697 1.00 0.00 C ATOM 385 O GLN A 24 87.840 -9.114 9.004 1.00 0.00 O ATOM 386 CB GLN A 24 90.011 -7.329 8.909 1.00 0.00 C ATOM 387 CG GLN A 24 90.191 -7.622 10.403 1.00 0.00 C ATOM 388 CD GLN A 24 89.810 -6.399 11.224 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.407 -5.382 10.666 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.908 -6.441 12.524 1.00 0.00 N ATOM 0 H GLN A 24 88.774 -8.065 6.523 1.00 0.00 H new ATOM 0 HA GLN A 24 90.989 -9.116 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.814 -6.682 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.075 -6.795 8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.572 -8.471 10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.226 -7.898 10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 24 90.243 -7.288 12.983 1.00 0.00 H new ATOM 0 HE22 GLN A 24 89.649 -5.627 13.082 1.00 0.00 H new ATOM 399 N GLY A 25 89.261 -10.844 8.833 1.00 0.00 N ATOM 400 CA GLY A 25 88.289 -11.789 9.358 1.00 0.00 C ATOM 401 C GLY A 25 87.288 -12.157 8.274 1.00 0.00 C ATOM 402 O GLY A 25 87.668 -12.565 7.177 1.00 0.00 O ATOM 0 H GLY A 25 90.166 -11.247 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.796 -12.685 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.770 -11.354 10.212 1.00 0.00 H new ATOM 406 N GLU A 26 86.007 -12.005 8.583 1.00 0.00 N ATOM 407 CA GLU A 26 84.954 -12.315 7.623 1.00 0.00 C ATOM 408 C GLU A 26 84.443 -11.034 6.975 1.00 0.00 C ATOM 409 O GLU A 26 83.425 -11.038 6.285 1.00 0.00 O ATOM 410 CB GLU A 26 83.802 -13.027 8.340 1.00 0.00 C ATOM 411 CG GLU A 26 83.217 -12.118 9.436 1.00 0.00 C ATOM 412 CD GLU A 26 81.913 -11.483 8.961 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.972 -10.644 8.077 1.00 0.00 O ATOM 414 OE2 GLU A 26 80.875 -11.845 9.489 1.00 0.00 O ATOM 0 H GLU A 26 85.672 -11.670 9.487 1.00 0.00 H new ATOM 0 HA GLU A 26 85.358 -12.966 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.025 -13.291 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.158 -13.958 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.038 -12.698 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 26 83.935 -11.340 9.693 1.00 0.00 H new ATOM 421 N ARG A 27 85.149 -9.931 7.222 1.00 0.00 N ATOM 422 CA ARG A 27 84.753 -8.637 6.684 1.00 0.00 C ATOM 423 C ARG A 27 85.740 -8.123 5.647 1.00 0.00 C ATOM 424 O ARG A 27 86.953 -8.172 5.850 1.00 0.00 O ATOM 425 CB ARG A 27 84.680 -7.627 7.820 1.00 0.00 C ATOM 426 CG ARG A 27 83.679 -8.111 8.873 1.00 0.00 C ATOM 427 CD ARG A 27 84.130 -7.630 10.247 1.00 0.00 C ATOM 428 NE ARG A 27 83.025 -7.696 11.196 1.00 0.00 N ATOM 429 CZ ARG A 27 82.712 -8.833 11.808 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.409 -9.911 11.573 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.711 -8.872 12.643 1.00 0.00 N ATOM 0 H ARG A 27 85.996 -9.911 7.790 1.00 0.00 H new ATOM 0 HA ARG A 27 83.784 -8.763 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.664 -7.499 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.377 -6.653 7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.683 -7.729 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.614 -9.199 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.959 -8.244 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.498 -6.606 10.178 1.00 0.00 H new ATOM 0 HE ARG A 27 82.483 -6.855 11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.192 -9.880 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 27 83.170 -10.785 12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 27 81.167 -8.029 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.472 -9.746 13.112 1.00 0.00 H new ATOM 445 N ARG A 28 85.209 -7.630 4.541 1.00 0.00 N ATOM 446 CA ARG A 28 86.040 -7.098 3.461 1.00 0.00 C ATOM 447 C ARG A 28 85.562 -5.714 3.060 1.00 0.00 C ATOM 448 O ARG A 28 84.381 -5.389 3.183 1.00 0.00 O ATOM 449 CB ARG A 28 85.978 -8.036 2.250 1.00 0.00 C ATOM 450 CG ARG A 28 86.938 -7.550 1.159 1.00 0.00 C ATOM 451 CD ARG A 28 86.741 -8.387 -0.106 1.00 0.00 C ATOM 452 NE ARG A 28 87.433 -7.771 -1.234 1.00 0.00 N ATOM 453 CZ ARG A 28 86.953 -6.679 -1.821 1.00 0.00 C ATOM 454 NH1 ARG A 28 85.844 -6.141 -1.391 1.00 0.00 N ATOM 455 NH2 ARG A 28 87.589 -6.147 -2.828 1.00 0.00 N ATOM 0 H ARG A 28 84.206 -7.585 4.362 1.00 0.00 H new ATOM 0 HA ARG A 28 87.069 -7.027 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.241 -9.050 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.961 -8.073 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.756 -6.497 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.969 -7.631 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 28 87.120 -9.396 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.678 -8.478 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 28 88.299 -8.185 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.346 -6.558 -0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 28 85.476 -5.303 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 28 88.454 -6.569 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 28 87.221 -5.309 -3.279 1.00 0.00 H new ATOM 469 N TRP A 29 86.496 -4.899 2.596 1.00 0.00 N ATOM 470 CA TRP A 29 86.193 -3.542 2.191 1.00 0.00 C ATOM 471 C TRP A 29 87.100 -3.122 1.041 1.00 0.00 C ATOM 472 O TRP A 29 88.202 -3.649 0.885 1.00 0.00 O ATOM 473 CB TRP A 29 86.429 -2.608 3.368 1.00 0.00 C ATOM 474 CG TRP A 29 85.612 -3.036 4.539 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.270 -2.941 4.630 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.073 -3.616 5.788 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.873 -3.421 5.868 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.955 -3.850 6.619 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.347 -3.955 6.273 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.099 -4.401 7.893 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.497 -4.510 7.551 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.375 -4.733 8.363 1.00 0.00 C ATOM 0 H TRP A 29 87.477 -5.160 2.491 1.00 0.00 H new ATOM 0 HA TRP A 29 85.153 -3.491 1.867 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.486 -2.607 3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.170 -1.587 3.089 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.613 -2.555 3.865 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.905 -3.454 6.187 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.217 -3.787 5.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.231 -4.570 8.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.482 -4.767 7.913 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.495 -5.160 9.348 1.00 0.00 H new ATOM 493 N GLU A 30 86.636 -2.165 0.244 1.00 0.00 N ATOM 494 CA GLU A 30 87.425 -1.679 -0.881 1.00 0.00 C ATOM 495 C GLU A 30 88.083 -0.352 -0.511 1.00 0.00 C ATOM 496 O GLU A 30 87.468 0.481 0.152 1.00 0.00 O ATOM 497 CB GLU A 30 86.525 -1.485 -2.108 1.00 0.00 C ATOM 498 CG GLU A 30 85.340 -2.451 -2.039 1.00 0.00 C ATOM 499 CD GLU A 30 84.312 -1.945 -1.032 1.00 0.00 C ATOM 500 OE1 GLU A 30 83.679 -0.941 -1.314 1.00 0.00 O ATOM 501 OE2 GLU A 30 84.174 -2.569 0.006 1.00 0.00 O ATOM 0 H GLU A 30 85.727 -1.715 0.354 1.00 0.00 H new ATOM 0 HA GLU A 30 88.196 -2.412 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.166 -0.457 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.096 -1.659 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.881 -2.547 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.686 -3.444 -1.750 1.00 0.00 H new ATOM 508 N VAL A 31 89.326 -0.155 -0.924 1.00 0.00 N ATOM 509 CA VAL A 31 90.033 1.081 -0.604 1.00 0.00 C ATOM 510 C VAL A 31 91.023 1.447 -1.702 1.00 0.00 C ATOM 511 O VAL A 31 91.490 0.590 -2.448 1.00 0.00 O ATOM 512 CB VAL A 31 90.794 0.917 0.716 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.797 0.791 1.867 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.671 -0.342 0.661 1.00 0.00 C ATOM 0 H VAL A 31 89.863 -0.825 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 31 89.294 1.877 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 31 91.428 1.790 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.338 0.674 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.179 1.688 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.161 -0.079 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.209 -0.452 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.042 -1.217 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.386 -0.252 -0.157 1.00 0.00 H new ATOM 524 N LEU A 32 91.365 2.726 -1.772 1.00 0.00 N ATOM 525 CA LEU A 32 92.330 3.192 -2.754 1.00 0.00 C ATOM 526 C LEU A 32 93.699 3.247 -2.095 1.00 0.00 C ATOM 527 O LEU A 32 93.848 3.800 -1.002 1.00 0.00 O ATOM 528 CB LEU A 32 91.942 4.579 -3.295 1.00 0.00 C ATOM 529 CG LEU A 32 91.780 5.587 -2.148 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.707 7.001 -2.730 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.494 5.294 -1.353 1.00 0.00 C ATOM 0 H LEU A 32 90.991 3.454 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 32 92.347 2.504 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.706 4.930 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.010 4.508 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 32 92.634 5.502 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.592 7.722 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.623 7.216 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.854 7.073 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 90.394 6.017 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.632 5.369 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.545 4.288 -0.936 1.00 0.00 H new ATOM 543 N LEU A 33 94.697 2.658 -2.737 1.00 0.00 N ATOM 544 CA LEU A 33 96.036 2.652 -2.165 1.00 0.00 C ATOM 545 C LEU A 33 96.840 3.826 -2.697 1.00 0.00 C ATOM 546 O LEU A 33 96.940 4.040 -3.905 1.00 0.00 O ATOM 547 CB LEU A 33 96.744 1.328 -2.480 1.00 0.00 C ATOM 548 CG LEU A 33 98.257 1.440 -2.209 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.747 0.160 -1.531 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.007 1.622 -3.534 1.00 0.00 C ATOM 0 H LEU A 33 94.610 2.186 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 33 95.955 2.750 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.319 0.529 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.575 1.059 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 33 98.444 2.297 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.817 0.237 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.218 0.022 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.556 -0.693 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.076 1.701 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.818 0.764 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.660 2.530 -4.027 1.00 0.00 H new ATOM 562 N HIS A 34 97.378 4.600 -1.771 1.00 0.00 N ATOM 563 CA HIS A 34 98.146 5.782 -2.122 1.00 0.00 C ATOM 564 C HIS A 34 99.634 5.468 -2.280 1.00 0.00 C ATOM 565 O HIS A 34 100.321 6.152 -3.039 1.00 0.00 O ATOM 566 CB HIS A 34 97.920 6.851 -1.062 1.00 0.00 C ATOM 567 CG HIS A 34 96.507 7.356 -1.157 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.196 8.605 -1.670 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.309 6.786 -0.806 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.857 8.743 -1.613 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.270 7.663 -1.094 1.00 0.00 N ATOM 0 H HIS A 34 97.297 4.431 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 34 97.803 6.149 -3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 34 98.105 6.440 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.622 7.673 -1.203 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.859 9.294 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.191 5.804 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.324 9.621 -1.947 1.00 0.00 H new ATOM 579 N ASP A 35 100.134 4.427 -1.622 1.00 0.00 N ATOM 580 CA ASP A 35 101.548 4.070 -1.791 1.00 0.00 C ATOM 581 C ASP A 35 101.888 2.786 -1.047 1.00 0.00 C ATOM 582 O ASP A 35 101.154 2.353 -0.159 1.00 0.00 O ATOM 583 CB ASP A 35 102.460 5.207 -1.320 1.00 0.00 C ATOM 584 CG ASP A 35 102.374 5.346 0.197 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.416 5.941 0.663 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.267 4.857 0.869 1.00 0.00 O ATOM 0 H ASP A 35 99.606 3.830 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 35 101.717 3.904 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.489 5.007 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.166 6.142 -1.797 1.00 0.00 H new ATOM 591 N VAL A 36 103.010 2.178 -1.430 1.00 0.00 N ATOM 592 CA VAL A 36 103.451 0.932 -0.810 1.00 0.00 C ATOM 593 C VAL A 36 104.968 0.896 -0.684 1.00 0.00 C ATOM 594 O VAL A 36 105.678 1.705 -1.283 1.00 0.00 O ATOM 595 CB VAL A 36 102.977 -0.267 -1.644 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.878 -0.425 -2.876 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.042 -1.549 -0.806 1.00 0.00 C ATOM 0 H VAL A 36 103.627 2.527 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 36 103.016 0.877 0.188 1.00 0.00 H new ATOM 0 HB VAL A 36 101.948 -0.093 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.540 -1.276 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.828 0.480 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.907 -0.591 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.704 -2.394 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.069 -1.721 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.400 -1.445 0.068 1.00 0.00 H new ATOM 607 N SER A 37 105.450 -0.077 0.078 1.00 0.00 N ATOM 608 CA SER A 37 106.873 -0.282 0.282 1.00 0.00 C ATOM 609 C SER A 37 107.123 -1.781 0.339 1.00 0.00 C ATOM 610 O SER A 37 106.176 -2.559 0.459 1.00 0.00 O ATOM 611 CB SER A 37 107.328 0.372 1.585 1.00 0.00 C ATOM 612 OG SER A 37 108.743 0.275 1.691 1.00 0.00 O ATOM 0 H SER A 37 104.861 -0.747 0.572 1.00 0.00 H new ATOM 0 HA SER A 37 107.436 0.171 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.021 1.418 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.854 -0.117 2.436 1.00 0.00 H new ATOM 0 HG SER A 37 109.038 0.695 2.526 1.00 0.00 H new ATOM 618 N LEU A 38 108.375 -2.199 0.257 1.00 0.00 N ATOM 619 CA LEU A 38 108.661 -3.624 0.303 1.00 0.00 C ATOM 620 C LEU A 38 108.240 -4.206 1.651 1.00 0.00 C ATOM 621 O LEU A 38 108.376 -5.408 1.884 1.00 0.00 O ATOM 622 CB LEU A 38 110.150 -3.886 0.055 1.00 0.00 C ATOM 623 CG LEU A 38 110.510 -3.546 -1.404 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.603 -2.474 -1.434 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.023 -4.803 -2.114 1.00 0.00 C ATOM 0 H LEU A 38 109.189 -1.592 0.161 1.00 0.00 H new ATOM 0 HA LEU A 38 108.089 -4.114 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.752 -3.284 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.383 -4.931 0.262 1.00 0.00 H new ATOM 0 HG LEU A 38 109.620 -3.173 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.853 -2.238 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 111.244 -1.575 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.491 -2.845 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 111.277 -4.560 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 38 111.909 -5.175 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 38 110.248 -5.570 -2.102 1.00 0.00 H new ATOM 637 N HIS A 39 107.729 -3.351 2.537 1.00 0.00 N ATOM 638 CA HIS A 39 107.297 -3.811 3.854 1.00 0.00 C ATOM 639 C HIS A 39 106.385 -2.779 4.534 1.00 0.00 C ATOM 640 O HIS A 39 106.555 -2.470 5.714 1.00 0.00 O ATOM 641 CB HIS A 39 108.525 -4.102 4.739 1.00 0.00 C ATOM 642 CG HIS A 39 109.786 -3.725 4.009 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.736 -4.664 3.640 1.00 0.00 N ATOM 644 CD2 HIS A 39 110.269 -2.515 3.575 1.00 0.00 C ATOM 645 CE1 HIS A 39 111.733 -4.012 3.017 1.00 0.00 C ATOM 646 NE2 HIS A 39 111.499 -2.698 2.950 1.00 0.00 N ATOM 0 H HIS A 39 107.606 -2.352 2.370 1.00 0.00 H new ATOM 0 HA HIS A 39 106.724 -4.729 3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.453 -3.541 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.550 -5.159 5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 39 109.770 -1.565 3.700 1.00 0.00 H new ATOM 0 HE1 HIS A 39 112.615 -4.492 2.619 1.00 0.00 H new ATOM 0 HE2 HIS A 39 112.094 -1.983 2.531 1.00 0.00 H new ATOM 654 N GLY A 40 105.412 -2.257 3.790 1.00 0.00 N ATOM 655 CA GLY A 40 104.485 -1.273 4.349 1.00 0.00 C ATOM 656 C GLY A 40 103.506 -0.771 3.289 1.00 0.00 C ATOM 657 O GLY A 40 103.806 -0.798 2.100 1.00 0.00 O ATOM 0 H GLY A 40 105.245 -2.494 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 103.932 -1.719 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.046 -0.432 4.757 1.00 0.00 H new ATOM 661 N ILE A 41 102.326 -0.330 3.726 1.00 0.00 N ATOM 662 CA ILE A 41 101.307 0.157 2.795 1.00 0.00 C ATOM 663 C ILE A 41 100.443 1.253 3.426 1.00 0.00 C ATOM 664 O ILE A 41 100.199 1.260 4.629 1.00 0.00 O ATOM 665 CB ILE A 41 100.425 -1.025 2.333 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.936 -0.641 2.356 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.651 -2.224 3.255 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.089 -1.788 1.790 1.00 0.00 C ATOM 0 H ILE A 41 102.054 -0.300 4.708 1.00 0.00 H new ATOM 0 HA ILE A 41 101.811 0.596 1.934 1.00 0.00 H new ATOM 0 HB ILE A 41 100.703 -1.282 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.625 -0.418 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.776 0.264 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.028 -3.057 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.700 -2.519 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.386 -1.952 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.036 -1.507 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.391 -1.990 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.237 -2.683 2.395 1.00 0.00 H new ATOM 680 N LEU A 42 99.969 2.164 2.574 1.00 0.00 N ATOM 681 CA LEU A 42 99.103 3.265 3.001 1.00 0.00 C ATOM 682 C LEU A 42 97.790 3.169 2.236 1.00 0.00 C ATOM 683 O LEU A 42 97.792 2.919 1.030 1.00 0.00 O ATOM 684 CB LEU A 42 99.768 4.620 2.694 1.00 0.00 C ATOM 685 CG LEU A 42 99.627 5.584 3.881 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.570 6.775 3.678 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.184 6.099 3.982 1.00 0.00 C ATOM 0 H LEU A 42 100.173 2.160 1.575 1.00 0.00 H new ATOM 0 HA LEU A 42 98.929 3.195 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.823 4.468 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.312 5.060 1.807 1.00 0.00 H new ATOM 0 HG LEU A 42 99.881 5.054 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.474 7.463 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.598 6.419 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.310 7.292 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.100 6.781 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.920 6.625 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.506 5.257 4.126 1.00 0.00 H new ATOM 699 N VAL A 43 96.675 3.357 2.926 1.00 0.00 N ATOM 700 CA VAL A 43 95.377 3.271 2.263 1.00 0.00 C ATOM 701 C VAL A 43 94.411 4.339 2.764 1.00 0.00 C ATOM 702 O VAL A 43 94.700 5.069 3.713 1.00 0.00 O ATOM 703 CB VAL A 43 94.767 1.887 2.479 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.743 0.817 1.987 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.491 1.678 3.969 1.00 0.00 C ATOM 0 H VAL A 43 96.638 3.566 3.924 1.00 0.00 H new ATOM 0 HA VAL A 43 95.543 3.440 1.199 1.00 0.00 H new ATOM 0 HB VAL A 43 93.833 1.811 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.308 -0.171 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.940 0.965 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.677 0.893 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.056 0.691 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.425 1.754 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.796 2.440 4.321 1.00 0.00 H new ATOM 715 N GLY A 44 93.244 4.381 2.134 1.00 0.00 N ATOM 716 CA GLY A 44 92.190 5.323 2.528 1.00 0.00 C ATOM 717 C GLY A 44 91.194 4.611 3.441 1.00 0.00 C ATOM 718 O GLY A 44 90.941 3.420 3.263 1.00 0.00 O ATOM 0 H GLY A 44 92.998 3.778 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.625 6.179 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.681 5.707 1.644 1.00 0.00 H new ATOM 722 N GLN A 45 90.645 5.313 4.437 1.00 0.00 N ATOM 723 CA GLN A 45 89.706 4.686 5.372 1.00 0.00 C ATOM 724 C GLN A 45 88.268 4.730 4.850 1.00 0.00 C ATOM 725 O GLN A 45 87.692 5.811 4.733 1.00 0.00 O ATOM 726 CB GLN A 45 89.755 5.442 6.700 1.00 0.00 C ATOM 727 CG GLN A 45 88.816 4.774 7.708 1.00 0.00 C ATOM 728 CD GLN A 45 89.007 5.393 9.088 1.00 0.00 C ATOM 729 OE1 GLN A 45 89.971 6.125 9.313 1.00 0.00 O ATOM 730 NE2 GLN A 45 88.139 5.143 10.031 1.00 0.00 N ATOM 0 H GLN A 45 90.830 6.300 4.615 1.00 0.00 H new ATOM 0 HA GLN A 45 89.999 3.643 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.774 5.450 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.463 6.481 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 45 87.781 4.893 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.016 3.703 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.341 4.536 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 45 88.259 5.555 10.957 1.00 0.00 H new ATOM 739 N PRO A 46 87.662 3.607 4.555 1.00 0.00 N ATOM 740 CA PRO A 46 86.259 3.579 4.066 1.00 0.00 C ATOM 741 C PRO A 46 85.253 3.595 5.223 1.00 0.00 C ATOM 742 O PRO A 46 85.609 3.330 6.370 1.00 0.00 O ATOM 743 CB PRO A 46 86.201 2.276 3.278 1.00 0.00 C ATOM 744 CG PRO A 46 87.151 1.363 3.995 1.00 0.00 C ATOM 745 CD PRO A 46 88.229 2.257 4.637 1.00 0.00 C ATOM 0 HA PRO A 46 85.995 4.451 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.191 1.866 3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.500 2.425 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.629 0.781 4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.601 0.652 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.425 1.968 5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.176 2.188 4.102 1.00 0.00 H new ATOM 753 N GLN A 47 84.002 3.928 4.913 1.00 0.00 N ATOM 754 CA GLN A 47 82.953 4.001 5.934 1.00 0.00 C ATOM 755 C GLN A 47 82.642 2.632 6.553 1.00 0.00 C ATOM 756 O GLN A 47 82.405 2.531 7.757 1.00 0.00 O ATOM 757 CB GLN A 47 81.671 4.601 5.330 1.00 0.00 C ATOM 758 CG GLN A 47 81.580 4.283 3.832 1.00 0.00 C ATOM 759 CD GLN A 47 81.513 2.776 3.618 1.00 0.00 C ATOM 760 OE1 GLN A 47 80.549 2.133 4.030 1.00 0.00 O ATOM 761 NE2 GLN A 47 82.486 2.170 2.992 1.00 0.00 N ATOM 0 H GLN A 47 83.688 4.151 3.968 1.00 0.00 H new ATOM 0 HA GLN A 47 83.325 4.644 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 47 80.798 4.201 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.663 5.681 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 47 80.697 4.758 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.446 4.693 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 47 83.285 2.705 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 47 82.447 1.162 2.844 1.00 0.00 H new ATOM 770 N ASP A 48 82.616 1.590 5.729 1.00 0.00 N ATOM 771 CA ASP A 48 82.300 0.244 6.214 1.00 0.00 C ATOM 772 C ASP A 48 83.460 -0.365 7.002 1.00 0.00 C ATOM 773 O ASP A 48 83.437 -1.550 7.336 1.00 0.00 O ATOM 774 CB ASP A 48 81.950 -0.666 5.032 1.00 0.00 C ATOM 775 CG ASP A 48 80.523 -0.393 4.569 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.662 -0.238 5.421 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.310 -0.344 3.368 1.00 0.00 O ATOM 0 H ASP A 48 82.808 1.646 4.729 1.00 0.00 H new ATOM 0 HA ASP A 48 81.446 0.328 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.647 -0.494 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.053 -1.711 5.324 1.00 0.00 H new ATOM 782 N TRP A 49 84.473 0.440 7.286 1.00 0.00 N ATOM 783 CA TRP A 49 85.637 -0.040 8.025 1.00 0.00 C ATOM 784 C TRP A 49 85.264 -0.543 9.413 1.00 0.00 C ATOM 785 O TRP A 49 85.639 0.064 10.413 1.00 0.00 O ATOM 786 CB TRP A 49 86.646 1.089 8.176 1.00 0.00 C ATOM 787 CG TRP A 49 87.917 0.560 8.757 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.234 0.571 10.068 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.025 -0.051 8.066 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.495 0.010 10.231 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.032 -0.378 9.009 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.248 -0.337 6.713 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.231 -0.976 8.595 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.439 -0.935 6.301 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.427 -1.248 7.234 1.00 0.00 C ATOM 0 H TRP A 49 84.515 1.423 7.019 1.00 0.00 H new ATOM 0 HA TRP A 49 86.062 -0.870 7.460 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.842 1.546 7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.239 1.869 8.819 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.610 0.954 10.862 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.965 -0.102 11.129 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.491 -0.092 5.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.995 -1.224 9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.596 -1.156 5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.350 -1.703 6.906 1.00 0.00 H new ATOM 806 N ASN A 50 84.553 -1.660 9.486 1.00 0.00 N ATOM 807 CA ASN A 50 84.194 -2.209 10.791 1.00 0.00 C ATOM 808 C ASN A 50 85.245 -3.226 11.220 1.00 0.00 C ATOM 809 O ASN A 50 85.055 -4.433 11.074 1.00 0.00 O ATOM 810 CB ASN A 50 82.810 -2.861 10.761 1.00 0.00 C ATOM 811 CG ASN A 50 82.477 -3.422 12.141 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.459 -3.057 12.730 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.280 -4.289 12.696 1.00 0.00 N ATOM 0 H ASN A 50 84.220 -2.193 8.683 1.00 0.00 H new ATOM 0 HA ASN A 50 84.159 -1.391 11.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.059 -2.129 10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.789 -3.659 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 50 83.065 -4.665 13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 50 84.123 -4.590 12.206 1.00 0.00 H new ATOM 820 N GLY A 51 86.364 -2.725 11.738 1.00 0.00 N ATOM 821 CA GLY A 51 87.451 -3.596 12.172 1.00 0.00 C ATOM 822 C GLY A 51 88.126 -3.057 13.427 1.00 0.00 C ATOM 823 O GLY A 51 88.233 -1.846 13.614 1.00 0.00 O ATOM 0 H GLY A 51 86.540 -1.729 11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 51 87.063 -4.596 12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.186 -3.689 11.373 1.00 0.00 H new ATOM 827 N ASP A 52 88.578 -3.969 14.282 1.00 0.00 N ATOM 828 CA ASP A 52 89.248 -3.585 15.521 1.00 0.00 C ATOM 829 C ASP A 52 90.737 -3.319 15.272 1.00 0.00 C ATOM 830 O ASP A 52 91.484 -4.239 14.939 1.00 0.00 O ATOM 831 CB ASP A 52 89.102 -4.707 16.552 1.00 0.00 C ATOM 832 CG ASP A 52 89.838 -4.336 17.836 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.296 -3.209 17.930 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.933 -5.185 18.706 1.00 0.00 O ATOM 0 H ASP A 52 88.493 -4.976 14.141 1.00 0.00 H new ATOM 0 HA ASP A 52 88.785 -2.672 15.896 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.047 -4.881 16.765 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.503 -5.637 16.149 1.00 0.00 H new ATOM 839 N PRO A 53 91.185 -2.094 15.427 1.00 0.00 N ATOM 840 CA PRO A 53 92.621 -1.729 15.212 1.00 0.00 C ATOM 841 C PRO A 53 93.570 -2.687 15.919 1.00 0.00 C ATOM 842 O PRO A 53 94.743 -2.790 15.560 1.00 0.00 O ATOM 843 CB PRO A 53 92.732 -0.317 15.792 1.00 0.00 C ATOM 844 CG PRO A 53 91.357 0.256 15.705 1.00 0.00 C ATOM 845 CD PRO A 53 90.383 -0.919 15.821 1.00 0.00 C ATOM 0 HA PRO A 53 92.902 -1.782 14.160 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.082 -0.342 16.824 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.445 0.285 15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.188 0.979 16.503 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.216 0.784 14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.000 -1.020 16.837 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.521 -0.788 15.167 1.00 0.00 H new ATOM 853 N GLN A 54 93.062 -3.366 16.939 1.00 0.00 N ATOM 854 CA GLN A 54 93.888 -4.287 17.702 1.00 0.00 C ATOM 855 C GLN A 54 94.100 -5.612 16.967 1.00 0.00 C ATOM 856 O GLN A 54 95.080 -6.313 17.224 1.00 0.00 O ATOM 857 CB GLN A 54 93.245 -4.563 19.063 1.00 0.00 C ATOM 858 CG GLN A 54 93.078 -3.250 19.832 1.00 0.00 C ATOM 859 CD GLN A 54 94.422 -2.798 20.392 1.00 0.00 C ATOM 860 OE1 GLN A 54 95.457 -3.387 20.079 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.468 -1.782 21.210 1.00 0.00 N ATOM 0 H GLN A 54 92.094 -3.297 17.253 1.00 0.00 H new ATOM 0 HA GLN A 54 94.861 -3.814 17.835 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.275 -5.042 18.927 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.864 -5.254 19.635 1.00 0.00 H new ATOM 0 HG2 GLN A 54 92.673 -2.482 19.173 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.363 -3.383 20.644 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.609 -1.296 21.468 1.00 0.00 H new ATOM 0 HE22 GLN A 54 95.363 -1.474 21.591 1.00 0.00 H new ATOM 870 N ARG A 55 93.187 -5.961 16.063 1.00 0.00 N ATOM 871 CA ARG A 55 93.315 -7.217 15.322 1.00 0.00 C ATOM 872 C ARG A 55 93.999 -6.975 13.974 1.00 0.00 C ATOM 873 O ARG A 55 93.920 -5.884 13.415 1.00 0.00 O ATOM 874 CB ARG A 55 91.934 -7.857 15.114 1.00 0.00 C ATOM 875 CG ARG A 55 91.590 -8.753 16.309 1.00 0.00 C ATOM 876 CD ARG A 55 90.072 -8.951 16.385 1.00 0.00 C ATOM 877 NE ARG A 55 89.578 -9.562 15.155 1.00 0.00 N ATOM 878 CZ ARG A 55 89.649 -10.876 14.962 1.00 0.00 C ATOM 879 NH1 ARG A 55 90.177 -11.642 15.877 1.00 0.00 N ATOM 880 NH2 ARG A 55 89.190 -11.400 13.858 1.00 0.00 N ATOM 0 H ARG A 55 92.365 -5.405 15.828 1.00 0.00 H new ATOM 0 HA ARG A 55 93.931 -7.902 15.904 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.177 -7.081 15.000 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.930 -8.443 14.195 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.088 -9.717 16.208 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.954 -8.301 17.232 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.823 -9.582 17.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.581 -7.991 16.545 1.00 0.00 H new ATOM 0 HE ARG A 55 89.171 -8.971 14.430 1.00 0.00 H new ATOM 0 HH11 ARG A 55 90.535 -11.233 16.740 1.00 0.00 H new ATOM 0 HH12 ARG A 55 90.232 -12.650 15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.777 -10.802 13.143 1.00 0.00 H new ATOM 0 HH22 ARG A 55 89.245 -12.408 13.711 1.00 0.00 H new ATOM 894 N PRO A 56 94.686 -7.972 13.465 1.00 0.00 N ATOM 895 CA PRO A 56 95.429 -7.877 12.168 1.00 0.00 C ATOM 896 C PRO A 56 94.510 -7.687 10.965 1.00 0.00 C ATOM 897 O PRO A 56 93.318 -7.968 11.027 1.00 0.00 O ATOM 898 CB PRO A 56 96.197 -9.202 12.081 1.00 0.00 C ATOM 899 CG PRO A 56 95.436 -10.150 12.949 1.00 0.00 C ATOM 900 CD PRO A 56 94.831 -9.308 14.070 1.00 0.00 C ATOM 0 HA PRO A 56 96.080 -7.003 12.145 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.247 -9.562 11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.224 -9.086 12.429 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.657 -10.659 12.381 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.092 -10.921 13.352 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.870 -9.706 14.396 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.479 -9.283 14.946 1.00 0.00 H new ATOM 908 N PHE A 57 95.097 -7.211 9.869 1.00 0.00 N ATOM 909 CA PHE A 57 94.363 -6.979 8.628 1.00 0.00 C ATOM 910 C PHE A 57 95.130 -7.595 7.456 1.00 0.00 C ATOM 911 O PHE A 57 96.350 -7.744 7.535 1.00 0.00 O ATOM 912 CB PHE A 57 94.247 -5.468 8.378 1.00 0.00 C ATOM 913 CG PHE A 57 93.572 -4.785 9.548 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.287 -4.541 10.727 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.235 -4.380 9.447 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.663 -3.895 11.803 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.612 -3.737 10.523 1.00 0.00 C ATOM 918 CZ PHE A 57 92.326 -3.494 11.700 1.00 0.00 C ATOM 0 H PHE A 57 96.088 -6.977 9.816 1.00 0.00 H new ATOM 0 HA PHE A 57 93.374 -7.429 8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.238 -5.042 8.224 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.677 -5.287 7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.319 -4.850 10.807 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.684 -4.564 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.214 -3.706 12.712 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.580 -3.429 10.444 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.846 -2.997 12.530 1.00 0.00 H new ATOM 928 N GLU A 58 94.442 -7.918 6.360 1.00 0.00 N ATOM 929 CA GLU A 58 95.126 -8.473 5.185 1.00 0.00 C ATOM 930 C GLU A 58 94.888 -7.553 3.995 1.00 0.00 C ATOM 931 O GLU A 58 93.769 -7.108 3.777 1.00 0.00 O ATOM 932 CB GLU A 58 94.620 -9.884 4.873 1.00 0.00 C ATOM 933 CG GLU A 58 95.093 -10.851 5.959 1.00 0.00 C ATOM 934 CD GLU A 58 94.238 -12.114 5.939 1.00 0.00 C ATOM 935 OE1 GLU A 58 94.207 -12.769 4.910 1.00 0.00 O ATOM 936 OE2 GLU A 58 93.623 -12.405 6.952 1.00 0.00 O ATOM 0 H GLU A 58 93.433 -7.809 6.258 1.00 0.00 H new ATOM 0 HA GLU A 58 96.194 -8.541 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.531 -9.887 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.989 -10.206 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.140 -11.108 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 58 95.028 -10.373 6.937 1.00 0.00 H new ATOM 943 N ALA A 59 95.933 -7.238 3.241 1.00 0.00 N ATOM 944 CA ALA A 59 95.791 -6.333 2.105 1.00 0.00 C ATOM 945 C ALA A 59 96.052 -7.034 0.783 1.00 0.00 C ATOM 946 O ALA A 59 97.024 -7.774 0.636 1.00 0.00 O ATOM 947 CB ALA A 59 96.796 -5.181 2.248 1.00 0.00 C ATOM 0 H ALA A 59 96.878 -7.590 3.391 1.00 0.00 H new ATOM 0 HA ALA A 59 94.765 -5.965 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.694 -4.502 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.600 -4.640 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.809 -5.583 2.271 1.00 0.00 H new ATOM 953 N ARG A 60 95.197 -6.752 -0.190 1.00 0.00 N ATOM 954 CA ARG A 60 95.355 -7.312 -1.524 1.00 0.00 C ATOM 955 C ARG A 60 95.435 -6.164 -2.519 1.00 0.00 C ATOM 956 O ARG A 60 94.576 -5.284 -2.517 1.00 0.00 O ATOM 957 CB ARG A 60 94.157 -8.197 -1.883 1.00 0.00 C ATOM 958 CG ARG A 60 93.896 -9.233 -0.780 1.00 0.00 C ATOM 959 CD ARG A 60 94.487 -10.585 -1.189 1.00 0.00 C ATOM 960 NE ARG A 60 94.427 -11.524 -0.072 1.00 0.00 N ATOM 961 CZ ARG A 60 94.387 -12.838 -0.278 1.00 0.00 C ATOM 962 NH1 ARG A 60 94.397 -13.308 -1.495 1.00 0.00 N ATOM 963 NH2 ARG A 60 94.338 -13.658 0.736 1.00 0.00 N ATOM 0 H ARG A 60 94.388 -6.140 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 60 96.260 -7.919 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.271 -7.578 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.345 -8.705 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.341 -8.900 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 60 92.824 -9.331 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 60 93.938 -10.987 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 60 95.521 -10.456 -1.509 1.00 0.00 H new ATOM 0 HE ARG A 60 94.416 -11.166 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 60 94.436 -12.668 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 60 94.366 -14.315 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 94.330 -13.292 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 60 94.307 -14.665 0.577 1.00 0.00 H new ATOM 977 N LEU A 61 96.463 -6.156 -3.360 1.00 0.00 N ATOM 978 CA LEU A 61 96.612 -5.076 -4.333 1.00 0.00 C ATOM 979 C LEU A 61 96.311 -5.574 -5.739 1.00 0.00 C ATOM 980 O LEU A 61 96.578 -6.729 -6.073 1.00 0.00 O ATOM 981 CB LEU A 61 98.036 -4.510 -4.280 1.00 0.00 C ATOM 982 CG LEU A 61 98.165 -3.524 -3.113 1.00 0.00 C ATOM 983 CD1 LEU A 61 97.883 -4.246 -1.789 1.00 0.00 C ATOM 984 CD2 LEU A 61 99.585 -2.944 -3.092 1.00 0.00 C ATOM 0 H LEU A 61 97.193 -6.868 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 61 95.902 -4.289 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.755 -5.321 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.272 -4.008 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 61 97.443 -2.717 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 97.976 -3.541 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 96.873 -4.654 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 61 98.600 -5.056 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 61 99.679 -2.243 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 61 100.306 -3.752 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 61 99.780 -2.425 -4.030 1.00 0.00 H new ATOM 996 N TYR A 62 95.756 -4.689 -6.561 1.00 0.00 N ATOM 997 CA TYR A 62 95.422 -5.036 -7.936 1.00 0.00 C ATOM 998 C TYR A 62 95.962 -3.980 -8.896 1.00 0.00 C ATOM 999 O TYR A 62 95.482 -2.844 -8.922 1.00 0.00 O ATOM 1000 CB TYR A 62 93.905 -5.141 -8.099 1.00 0.00 C ATOM 1001 CG TYR A 62 93.322 -5.884 -6.921 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.174 -5.235 -5.690 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.925 -7.220 -7.061 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.631 -5.924 -4.597 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.382 -7.908 -5.968 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.234 -7.260 -4.738 1.00 0.00 C ATOM 1007 OH TYR A 62 91.699 -7.938 -3.662 1.00 0.00 O ATOM 0 H TYR A 62 95.529 -3.730 -6.299 1.00 0.00 H new ATOM 0 HA TYR A 62 95.879 -5.998 -8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.466 -4.146 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.663 -5.661 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.478 -4.204 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.038 -7.720 -8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.519 -5.425 -3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.078 -8.939 -6.076 1.00 0.00 H new ATOM 0 HH TYR A 62 91.476 -8.854 -3.931 1.00 0.00 H new ATOM 1017 N LEU A 63 96.961 -4.368 -9.682 1.00 0.00 N ATOM 1018 CA LEU A 63 97.568 -3.460 -10.650 1.00 0.00 C ATOM 1019 C LEU A 63 97.135 -3.840 -12.062 1.00 0.00 C ATOM 1020 O LEU A 63 96.228 -3.232 -12.630 1.00 0.00 O ATOM 1021 CB LEU A 63 99.097 -3.524 -10.529 1.00 0.00 C ATOM 1022 CG LEU A 63 99.692 -2.156 -10.876 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.194 -2.161 -10.597 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.450 -1.856 -12.358 1.00 0.00 C ATOM 0 H LEU A 63 97.367 -5.304 -9.668 1.00 0.00 H new ATOM 0 HA LEU A 63 97.238 -2.442 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.381 -3.810 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.494 -4.286 -11.199 1.00 0.00 H new ATOM 0 HG LEU A 63 99.214 -1.390 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.613 -1.186 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.367 -2.373 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.674 -2.928 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 63 99.873 -0.883 -12.606 1.00 0.00 H new ATOM 0 HD22 LEU A 63 99.926 -2.624 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.378 -1.847 -12.557 1.00 0.00 H new ATOM 1036 N GLY A 64 97.775 -4.868 -12.611 1.00 0.00 N ATOM 1037 CA GLY A 64 97.434 -5.347 -13.943 1.00 0.00 C ATOM 1038 C GLY A 64 96.210 -6.245 -13.858 1.00 0.00 C ATOM 1039 O GLY A 64 95.640 -6.414 -12.780 1.00 0.00 O ATOM 0 H GLY A 64 98.529 -5.382 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.235 -4.504 -14.605 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.273 -5.896 -14.370 1.00 0.00 H new ATOM 1043 N LEU A 65 95.791 -6.816 -14.981 1.00 0.00 N ATOM 1044 CA LEU A 65 94.616 -7.676 -14.959 1.00 0.00 C ATOM 1045 C LEU A 65 94.961 -9.035 -14.356 1.00 0.00 C ATOM 1046 O LEU A 65 94.121 -9.662 -13.709 1.00 0.00 O ATOM 1047 CB LEU A 65 94.051 -7.853 -16.370 1.00 0.00 C ATOM 1048 CG LEU A 65 94.102 -6.518 -17.115 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.579 -6.706 -18.541 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.231 -5.493 -16.383 1.00 0.00 C ATOM 0 H LEU A 65 96.233 -6.704 -15.894 1.00 0.00 H new ATOM 0 HA LEU A 65 93.856 -7.200 -14.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.626 -8.605 -16.911 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.024 -8.213 -16.319 1.00 0.00 H new ATOM 0 HG LEU A 65 95.132 -6.162 -17.151 1.00 0.00 H new ATOM 0 HD11 LEU A 65 93.616 -5.754 -19.071 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.199 -7.436 -19.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.550 -7.063 -18.507 1.00 0.00 H new ATOM 0 HD21 LEU A 65 93.266 -4.541 -16.913 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.202 -5.850 -16.347 1.00 0.00 H new ATOM 0 HD23 LEU A 65 93.604 -5.357 -15.368 1.00 0.00 H new ATOM 1062 N ASP A 66 96.194 -9.490 -14.571 1.00 0.00 N ATOM 1063 CA ASP A 66 96.660 -10.774 -14.058 1.00 0.00 C ATOM 1064 C ASP A 66 97.579 -10.587 -12.851 1.00 0.00 C ATOM 1065 O ASP A 66 98.210 -11.542 -12.395 1.00 0.00 O ATOM 1066 CB ASP A 66 97.473 -11.459 -15.158 1.00 0.00 C ATOM 1067 CG ASP A 66 97.990 -12.806 -14.663 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.171 -13.657 -14.357 1.00 0.00 O ATOM 1069 OD2 ASP A 66 99.198 -12.963 -14.596 1.00 0.00 O ATOM 0 H ASP A 66 96.896 -8.979 -15.105 1.00 0.00 H new ATOM 0 HA ASP A 66 95.794 -11.364 -13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.854 -11.601 -16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.309 -10.825 -15.452 1.00 0.00 H new ATOM 1074 N VAL A 67 97.669 -9.358 -12.344 1.00 0.00 N ATOM 1075 CA VAL A 67 98.541 -9.081 -11.200 1.00 0.00 C ATOM 1076 C VAL A 67 97.743 -8.904 -9.915 1.00 0.00 C ATOM 1077 O VAL A 67 97.250 -7.817 -9.611 1.00 0.00 O ATOM 1078 CB VAL A 67 99.390 -7.829 -11.467 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.025 -7.339 -10.160 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.502 -8.171 -12.466 1.00 0.00 C ATOM 0 H VAL A 67 97.159 -8.549 -12.699 1.00 0.00 H new ATOM 0 HA VAL A 67 99.198 -9.941 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 67 98.751 -7.046 -11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.625 -6.451 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.241 -7.095 -9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.661 -8.123 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.105 -7.284 -12.657 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.134 -8.957 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.059 -8.516 -13.400 1.00 0.00 H new ATOM 1090 N LEU A 68 97.650 -9.990 -9.160 1.00 0.00 N ATOM 1091 CA LEU A 68 96.949 -9.989 -7.887 1.00 0.00 C ATOM 1092 C LEU A 68 97.967 -10.277 -6.790 1.00 0.00 C ATOM 1093 O LEU A 68 98.597 -11.334 -6.782 1.00 0.00 O ATOM 1094 CB LEU A 68 95.847 -11.060 -7.912 1.00 0.00 C ATOM 1095 CG LEU A 68 95.551 -11.567 -6.496 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.173 -10.388 -5.588 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.390 -12.564 -6.550 1.00 0.00 C ATOM 0 H LEU A 68 98.056 -10.891 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 68 96.477 -9.024 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 68 94.940 -10.645 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.156 -11.892 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 68 96.438 -12.056 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.964 -10.755 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.999 -9.678 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.287 -9.893 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.176 -12.928 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.506 -12.071 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.661 -13.404 -7.190 1.00 0.00 H new ATOM 1109 N ILE A 69 98.149 -9.322 -5.886 1.00 0.00 N ATOM 1110 CA ILE A 69 99.128 -9.478 -4.812 1.00 0.00 C ATOM 1111 C ILE A 69 98.454 -9.608 -3.452 1.00 0.00 C ATOM 1112 O ILE A 69 97.418 -8.994 -3.202 1.00 0.00 O ATOM 1113 CB ILE A 69 100.057 -8.269 -4.808 1.00 0.00 C ATOM 1114 CG1 ILE A 69 100.499 -7.967 -6.248 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.277 -8.559 -3.930 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.183 -9.193 -6.859 1.00 0.00 C ATOM 0 H ILE A 69 97.638 -8.439 -5.872 1.00 0.00 H new ATOM 0 HA ILE A 69 99.693 -10.393 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 69 99.533 -7.403 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 69 99.635 -7.686 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 69 101.183 -7.118 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.939 -7.693 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.951 -8.767 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.811 -9.424 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.492 -8.967 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 69 102.058 -9.455 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 69 100.486 -10.031 -6.868 1.00 0.00 H new ATOM 1128 N ARG A 70 99.066 -10.400 -2.568 1.00 0.00 N ATOM 1129 CA ARG A 70 98.533 -10.586 -1.222 1.00 0.00 C ATOM 1130 C ARG A 70 99.606 -10.333 -0.165 1.00 0.00 C ATOM 1131 O ARG A 70 100.717 -10.875 -0.235 1.00 0.00 O ATOM 1132 CB ARG A 70 97.977 -12.000 -1.068 1.00 0.00 C ATOM 1133 CG ARG A 70 98.990 -13.025 -1.603 1.00 0.00 C ATOM 1134 CD ARG A 70 98.673 -13.356 -3.064 1.00 0.00 C ATOM 1135 NE ARG A 70 99.472 -14.489 -3.512 1.00 0.00 N ATOM 1136 CZ ARG A 70 99.152 -15.732 -3.171 1.00 0.00 C ATOM 1137 NH1 ARG A 70 98.120 -15.952 -2.403 1.00 0.00 N ATOM 1138 NH2 ARG A 70 99.870 -16.733 -3.603 1.00 0.00 N ATOM 0 H ARG A 70 99.924 -10.918 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 70 97.730 -9.864 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.762 -12.203 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.035 -12.090 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 70 100.001 -12.626 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 70 98.956 -13.932 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 70 97.613 -13.586 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 70 98.875 -12.489 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 70 100.291 -14.325 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 70 97.560 -15.170 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 70 97.874 -16.906 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 70 100.677 -16.561 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 99.624 -17.688 -3.341 1.00 0.00 H new ATOM 1152 N MET A 71 99.255 -9.512 0.823 1.00 0.00 N ATOM 1153 CA MET A 71 100.172 -9.183 1.908 1.00 0.00 C ATOM 1154 C MET A 71 99.414 -9.124 3.233 1.00 0.00 C ATOM 1155 O MET A 71 98.247 -8.739 3.270 1.00 0.00 O ATOM 1156 CB MET A 71 100.847 -7.823 1.641 1.00 0.00 C ATOM 1157 CG MET A 71 100.910 -7.538 0.132 1.00 0.00 C ATOM 1158 SD MET A 71 102.319 -6.457 -0.237 1.00 0.00 S ATOM 1159 CE MET A 71 101.973 -5.141 0.959 1.00 0.00 C ATOM 0 H MET A 71 98.342 -9.063 0.893 1.00 0.00 H new ATOM 0 HA MET A 71 100.937 -9.957 1.964 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.292 -7.031 2.143 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.854 -7.822 2.059 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.005 -8.473 -0.419 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.984 -7.067 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 71 101.835 -4.197 0.432 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.066 -5.383 1.514 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.809 -5.050 1.652 1.00 0.00 H new ATOM 1169 N GLU A 72 100.092 -9.483 4.318 1.00 0.00 N ATOM 1170 CA GLU A 72 99.482 -9.440 5.645 1.00 0.00 C ATOM 1171 C GLU A 72 99.969 -8.174 6.337 1.00 0.00 C ATOM 1172 O GLU A 72 101.174 -7.918 6.353 1.00 0.00 O ATOM 1173 CB GLU A 72 99.892 -10.679 6.453 1.00 0.00 C ATOM 1174 CG GLU A 72 99.288 -10.616 7.859 1.00 0.00 C ATOM 1175 CD GLU A 72 97.785 -10.862 7.794 1.00 0.00 C ATOM 1176 OE1 GLU A 72 97.402 -11.985 7.513 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.041 -9.925 8.030 1.00 0.00 O ATOM 0 H GLU A 72 101.060 -9.806 4.307 1.00 0.00 H new ATOM 0 HA GLU A 72 98.395 -9.434 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.555 -11.582 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.979 -10.737 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.759 -11.362 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 72 99.486 -9.641 8.305 1.00 0.00 H new ATOM 1184 N ILE A 73 99.066 -7.357 6.870 1.00 0.00 N ATOM 1185 CA ILE A 73 99.501 -6.109 7.495 1.00 0.00 C ATOM 1186 C ILE A 73 98.758 -5.802 8.791 1.00 0.00 C ATOM 1187 O ILE A 73 97.641 -6.267 9.017 1.00 0.00 O ATOM 1188 CB ILE A 73 99.246 -4.968 6.512 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.855 -5.162 5.901 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.306 -4.975 5.401 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.450 -3.909 5.128 1.00 0.00 C ATOM 0 H ILE A 73 98.060 -7.526 6.884 1.00 0.00 H new ATOM 0 HA ILE A 73 100.558 -6.214 7.741 1.00 0.00 H new ATOM 0 HB ILE A 73 99.301 -4.012 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.857 -6.026 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.128 -5.366 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.112 -4.157 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.295 -4.851 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 73 100.264 -5.923 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.460 -4.052 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.430 -3.055 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.171 -3.724 4.331 1.00 0.00 H new ATOM 1203 N SER A 74 99.401 -4.986 9.623 1.00 0.00 N ATOM 1204 CA SER A 74 98.824 -4.565 10.898 1.00 0.00 C ATOM 1205 C SER A 74 98.730 -3.040 10.940 1.00 0.00 C ATOM 1206 O SER A 74 99.527 -2.344 10.310 1.00 0.00 O ATOM 1207 CB SER A 74 99.694 -5.067 12.057 1.00 0.00 C ATOM 1208 OG SER A 74 100.009 -3.982 12.922 1.00 0.00 O ATOM 0 H SER A 74 100.327 -4.601 9.436 1.00 0.00 H new ATOM 0 HA SER A 74 97.825 -4.989 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.167 -5.845 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.610 -5.515 11.670 1.00 0.00 H new ATOM 0 HG SER A 74 100.564 -4.305 13.663 1.00 0.00 H new ATOM 1214 N LEU A 75 97.751 -2.525 11.680 1.00 0.00 N ATOM 1215 CA LEU A 75 97.570 -1.079 11.781 1.00 0.00 C ATOM 1216 C LEU A 75 98.749 -0.444 12.510 1.00 0.00 C ATOM 1217 O LEU A 75 99.053 -0.781 13.655 1.00 0.00 O ATOM 1218 CB LEU A 75 96.257 -0.750 12.500 1.00 0.00 C ATOM 1219 CG LEU A 75 95.725 0.602 12.011 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.162 0.464 10.592 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.625 1.084 12.955 1.00 0.00 C ATOM 0 H LEU A 75 97.079 -3.078 12.212 1.00 0.00 H new ATOM 0 HA LEU A 75 97.523 -0.667 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.521 -1.531 12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.419 -0.720 13.578 1.00 0.00 H new ATOM 0 HG LEU A 75 96.541 1.325 11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.787 1.430 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 75 95.950 0.125 9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.348 -0.261 10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.245 2.045 12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.813 0.357 12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.031 1.194 13.961 1.00 0.00 H new ATOM 1233 N ALA A 76 99.382 0.512 11.830 1.00 0.00 N ATOM 1234 CA ALA A 76 100.506 1.248 12.398 1.00 0.00 C ATOM 1235 C ALA A 76 100.052 2.600 12.964 1.00 0.00 C ATOM 1236 O ALA A 76 100.472 3.010 14.046 1.00 0.00 O ATOM 1237 CB ALA A 76 101.595 1.427 11.343 1.00 0.00 C ATOM 0 H ALA A 76 99.133 0.794 10.882 1.00 0.00 H new ATOM 0 HA ALA A 76 100.918 0.673 13.227 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.432 1.977 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.939 0.449 11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.193 1.982 10.496 1.00 0.00 H new ATOM 1243 N TRP A 77 99.202 3.289 12.200 1.00 0.00 N ATOM 1244 CA TRP A 77 98.695 4.609 12.602 1.00 0.00 C ATOM 1245 C TRP A 77 97.520 5.026 11.709 1.00 0.00 C ATOM 1246 O TRP A 77 97.243 4.384 10.696 1.00 0.00 O ATOM 1247 CB TRP A 77 99.819 5.648 12.459 1.00 0.00 C ATOM 1248 CG TRP A 77 100.216 5.678 11.024 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.220 4.956 10.479 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.622 6.442 9.934 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.236 5.175 9.120 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.283 6.096 8.737 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.568 7.371 9.862 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.925 6.656 7.512 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.201 7.939 8.629 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.883 7.586 7.455 1.00 0.00 C ATOM 0 H TRP A 77 98.849 2.959 11.302 1.00 0.00 H new ATOM 0 HA TRP A 77 98.357 4.555 13.637 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.477 6.631 12.784 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.669 5.383 13.087 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.898 4.313 11.020 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.875 4.712 8.474 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.037 7.650 10.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.450 6.373 6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.390 8.651 8.586 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.604 8.031 6.511 1.00 0.00 H new ATOM 1267 N ALA A 78 96.849 6.120 12.078 1.00 0.00 N ATOM 1268 CA ALA A 78 95.725 6.626 11.285 1.00 0.00 C ATOM 1269 C ALA A 78 95.601 8.142 11.447 1.00 0.00 C ATOM 1270 O ALA A 78 95.468 8.636 12.566 1.00 0.00 O ATOM 1271 CB ALA A 78 94.431 5.973 11.776 1.00 0.00 C ATOM 0 H ALA A 78 97.061 6.668 12.912 1.00 0.00 H new ATOM 0 HA ALA A 78 95.898 6.388 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.591 6.345 11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.503 4.891 11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.277 6.217 12.827 1.00 0.00 H new ATOM 1277 N ARG A 79 95.632 8.883 10.335 1.00 0.00 N ATOM 1278 CA ARG A 79 95.507 10.339 10.421 1.00 0.00 C ATOM 1279 C ARG A 79 94.899 10.960 9.156 1.00 0.00 C ATOM 1280 O ARG A 79 95.341 10.675 8.043 1.00 0.00 O ATOM 1281 CB ARG A 79 96.883 10.959 10.699 1.00 0.00 C ATOM 1282 CG ARG A 79 96.723 12.351 11.323 1.00 0.00 C ATOM 1283 CD ARG A 79 98.069 12.826 11.882 1.00 0.00 C ATOM 1284 NE ARG A 79 98.211 14.268 11.695 1.00 0.00 N ATOM 1285 CZ ARG A 79 97.737 15.129 12.590 1.00 0.00 C ATOM 1286 NH1 ARG A 79 97.122 14.692 13.655 1.00 0.00 N ATOM 1287 NH2 ARG A 79 97.886 16.412 12.403 1.00 0.00 N ATOM 0 H ARG A 79 95.739 8.512 9.391 1.00 0.00 H new ATOM 0 HA ARG A 79 94.822 10.556 11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.451 10.315 11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.451 11.032 9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.360 13.056 10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 79 95.979 12.320 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.138 12.581 12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.884 12.305 11.380 1.00 0.00 H new ATOM 0 HE ARG A 79 98.683 14.621 10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 79 97.005 13.689 13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 79 96.759 15.353 14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.366 16.754 11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 79 97.522 17.073 13.089 1.00 0.00 H new ATOM 1301 N ASP A 80 93.932 11.862 9.343 1.00 0.00 N ATOM 1302 CA ASP A 80 93.326 12.580 8.220 1.00 0.00 C ATOM 1303 C ASP A 80 92.733 11.660 7.158 1.00 0.00 C ATOM 1304 O ASP A 80 92.950 11.876 5.966 1.00 0.00 O ATOM 1305 CB ASP A 80 94.374 13.485 7.568 1.00 0.00 C ATOM 1306 CG ASP A 80 93.688 14.555 6.724 1.00 0.00 C ATOM 1307 OD1 ASP A 80 93.196 14.218 5.660 1.00 0.00 O ATOM 1308 OD2 ASP A 80 93.664 15.696 7.154 1.00 0.00 O ATOM 0 H ASP A 80 93.554 12.111 10.257 1.00 0.00 H new ATOM 0 HA ASP A 80 92.502 13.163 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 80 94.989 13.955 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.042 12.891 6.944 1.00 0.00 H new ATOM 1313 N GLY A 81 91.959 10.663 7.565 1.00 0.00 N ATOM 1314 CA GLY A 81 91.331 9.773 6.592 1.00 0.00 C ATOM 1315 C GLY A 81 92.351 8.884 5.893 1.00 0.00 C ATOM 1316 O GLY A 81 92.032 8.224 4.904 1.00 0.00 O ATOM 0 H GLY A 81 91.752 10.451 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.591 9.150 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.797 10.366 5.849 1.00 0.00 H new ATOM 1320 N LEU A 82 93.565 8.847 6.426 1.00 0.00 N ATOM 1321 CA LEU A 82 94.615 8.009 5.860 1.00 0.00 C ATOM 1322 C LEU A 82 95.029 6.978 6.897 1.00 0.00 C ATOM 1323 O LEU A 82 95.121 7.288 8.084 1.00 0.00 O ATOM 1324 CB LEU A 82 95.824 8.864 5.460 1.00 0.00 C ATOM 1325 CG LEU A 82 95.376 9.983 4.511 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.600 10.755 4.013 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.637 9.382 3.309 1.00 0.00 C ATOM 0 H LEU A 82 93.847 9.385 7.246 1.00 0.00 H new ATOM 0 HA LEU A 82 94.240 7.509 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.289 9.292 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.576 8.242 4.975 1.00 0.00 H new ATOM 0 HG LEU A 82 94.709 10.658 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.280 11.549 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.126 11.190 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.267 10.076 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.321 10.182 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 82 95.302 8.703 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.762 8.834 3.657 1.00 0.00 H new ATOM 1339 N LEU A 83 95.264 5.749 6.455 1.00 0.00 N ATOM 1340 CA LEU A 83 95.651 4.695 7.382 1.00 0.00 C ATOM 1341 C LEU A 83 96.977 4.081 6.989 1.00 0.00 C ATOM 1342 O LEU A 83 97.199 3.770 5.820 1.00 0.00 O ATOM 1343 CB LEU A 83 94.609 3.576 7.328 1.00 0.00 C ATOM 1344 CG LEU A 83 93.203 4.146 7.507 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.184 3.017 7.327 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.062 4.744 8.912 1.00 0.00 C ATOM 0 H LEU A 83 95.195 5.461 5.479 1.00 0.00 H new ATOM 0 HA LEU A 83 95.726 5.136 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.677 3.053 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.813 2.843 8.109 1.00 0.00 H new ATOM 0 HG LEU A 83 93.026 4.927 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.176 3.413 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.285 2.592 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.365 2.242 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.058 5.150 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.234 3.967 9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.794 5.541 9.043 1.00 0.00 H new ATOM 1358 N GLY A 84 97.854 3.882 7.960 1.00 0.00 N ATOM 1359 CA GLY A 84 99.139 3.277 7.680 1.00 0.00 C ATOM 1360 C GLY A 84 99.083 1.802 8.005 1.00 0.00 C ATOM 1361 O GLY A 84 98.284 1.366 8.834 1.00 0.00 O ATOM 0 H GLY A 84 97.699 4.129 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.399 3.420 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.917 3.761 8.270 1.00 0.00 H new ATOM 1365 N PHE A 85 99.918 1.037 7.339 1.00 0.00 N ATOM 1366 CA PHE A 85 99.943 -0.395 7.553 1.00 0.00 C ATOM 1367 C PHE A 85 101.356 -0.932 7.419 1.00 0.00 C ATOM 1368 O PHE A 85 102.058 -0.619 6.459 1.00 0.00 O ATOM 1369 CB PHE A 85 99.034 -1.062 6.524 1.00 0.00 C ATOM 1370 CG PHE A 85 97.609 -1.013 7.015 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.206 -1.849 8.062 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.694 -0.133 6.427 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.887 -1.804 8.522 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.374 -0.089 6.889 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.972 -0.924 7.935 1.00 0.00 C ATOM 0 H PHE A 85 100.586 1.378 6.648 1.00 0.00 H new ATOM 0 HA PHE A 85 99.590 -0.614 8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.118 -0.554 5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.341 -2.096 6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.913 -2.528 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.006 0.511 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.574 -2.448 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.666 0.590 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.953 -0.890 8.291 1.00 0.00 H new ATOM 1385 N GLU A 86 101.772 -1.747 8.381 1.00 0.00 N ATOM 1386 CA GLU A 86 103.109 -2.321 8.343 1.00 0.00 C ATOM 1387 C GLU A 86 103.016 -3.782 7.911 1.00 0.00 C ATOM 1388 O GLU A 86 102.237 -4.553 8.471 1.00 0.00 O ATOM 1389 CB GLU A 86 103.757 -2.233 9.728 1.00 0.00 C ATOM 1390 CG GLU A 86 105.193 -2.758 9.655 1.00 0.00 C ATOM 1391 CD GLU A 86 105.904 -2.512 10.982 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.611 -1.511 11.613 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.732 -3.330 11.347 1.00 0.00 O ATOM 0 H GLU A 86 101.210 -2.022 9.187 1.00 0.00 H new ATOM 0 HA GLU A 86 103.720 -1.766 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.753 -1.201 10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.182 -2.815 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.189 -3.824 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.730 -2.261 8.847 1.00 0.00 H new ATOM 1400 N CYS A 87 103.790 -4.154 6.898 1.00 0.00 N ATOM 1401 CA CYS A 87 103.754 -5.522 6.392 1.00 0.00 C ATOM 1402 C CYS A 87 104.505 -6.480 7.309 1.00 0.00 C ATOM 1403 O CYS A 87 105.676 -6.270 7.625 1.00 0.00 O ATOM 1404 CB CYS A 87 104.362 -5.572 4.986 1.00 0.00 C ATOM 1405 SG CYS A 87 103.389 -6.685 3.939 1.00 0.00 S ATOM 0 H CYS A 87 104.443 -3.537 6.415 1.00 0.00 H new ATOM 0 HA CYS A 87 102.711 -5.837 6.356 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.381 -4.572 4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.395 -5.916 5.038 1.00 0.00 H new ATOM 0 HG CYS A 87 102.477 -7.270 4.657 1.00 0.00 H new ATOM 1411 N GLN A 88 103.816 -7.538 7.725 1.00 0.00 N ATOM 1412 CA GLN A 88 104.409 -8.541 8.601 1.00 0.00 C ATOM 1413 C GLN A 88 104.768 -9.794 7.803 1.00 0.00 C ATOM 1414 O GLN A 88 105.710 -10.508 8.145 1.00 0.00 O ATOM 1415 CB GLN A 88 103.433 -8.900 9.733 1.00 0.00 C ATOM 1416 CG GLN A 88 102.016 -8.456 9.358 1.00 0.00 C ATOM 1417 CD GLN A 88 101.060 -8.744 10.509 1.00 0.00 C ATOM 1418 OE1 GLN A 88 100.225 -7.818 10.898 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 101.075 -9.839 11.071 1.00 0.00 N flip ATOM 0 H GLN A 88 102.846 -7.722 7.469 1.00 0.00 H new ATOM 0 HA GLN A 88 105.319 -8.129 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.451 -9.975 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.742 -8.416 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.009 -7.391 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.687 -8.980 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 88 101.728 -10.560 10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 88 100.434 -10.025 11.843 1.00 0.00 H new ATOM 1428 N HIS A 89 104.018 -10.054 6.732 1.00 0.00 N ATOM 1429 CA HIS A 89 104.284 -11.220 5.897 1.00 0.00 C ATOM 1430 C HIS A 89 103.648 -11.046 4.518 1.00 0.00 C ATOM 1431 O HIS A 89 102.552 -10.518 4.393 1.00 0.00 O ATOM 1432 CB HIS A 89 103.738 -12.485 6.585 1.00 0.00 C ATOM 1433 CG HIS A 89 102.806 -13.225 5.662 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.209 -13.688 4.419 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.487 -13.589 5.787 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.152 -14.299 3.851 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.077 -14.267 4.644 1.00 0.00 N ATOM 0 H HIS A 89 103.232 -9.480 6.427 1.00 0.00 H new ATOM 0 HA HIS A 89 105.361 -11.324 5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.564 -13.134 6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.212 -12.211 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.863 -13.380 6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.171 -14.759 2.874 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.154 -14.656 4.452 1.00 0.00 H new ATOM 1445 N ILE A 90 104.359 -11.491 3.493 1.00 0.00 N ATOM 1446 CA ILE A 90 103.886 -11.387 2.113 1.00 0.00 C ATOM 1447 C ILE A 90 104.359 -12.590 1.304 1.00 0.00 C ATOM 1448 O ILE A 90 105.472 -13.084 1.485 1.00 0.00 O ATOM 1449 CB ILE A 90 104.375 -10.079 1.485 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.016 -10.056 -0.007 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.893 -9.970 1.656 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.434 -8.717 -0.619 1.00 0.00 C ATOM 0 H ILE A 90 105.274 -11.932 3.588 1.00 0.00 H new ATOM 0 HA ILE A 90 102.796 -11.380 2.110 1.00 0.00 H new ATOM 0 HB ILE A 90 103.894 -9.235 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.517 -10.875 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.944 -10.206 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.244 -9.039 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.141 -9.979 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.376 -10.814 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.177 -8.705 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.913 -7.906 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.510 -8.585 -0.505 1.00 0.00 H new ATOM 1464 N ASP A 91 103.472 -13.071 0.429 1.00 0.00 N ATOM 1465 CA ASP A 91 103.763 -14.245 -0.396 1.00 0.00 C ATOM 1466 C ASP A 91 105.030 -14.054 -1.232 1.00 0.00 C ATOM 1467 O ASP A 91 105.277 -12.985 -1.790 1.00 0.00 O ATOM 1468 CB ASP A 91 102.565 -14.550 -1.308 1.00 0.00 C ATOM 1469 CG ASP A 91 103.018 -15.297 -2.562 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.572 -16.374 -2.420 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.805 -14.778 -3.646 1.00 0.00 O ATOM 0 H ASP A 91 102.549 -12.666 0.274 1.00 0.00 H new ATOM 0 HA ASP A 91 103.937 -15.089 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.832 -15.149 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.071 -13.621 -1.591 1.00 0.00 H new ATOM 1476 N LEU A 92 105.824 -15.118 -1.303 1.00 0.00 N ATOM 1477 CA LEU A 92 107.073 -15.092 -2.061 1.00 0.00 C ATOM 1478 C LEU A 92 106.812 -14.644 -3.497 1.00 0.00 C ATOM 1479 O LEU A 92 107.571 -13.855 -4.058 1.00 0.00 O ATOM 1480 CB LEU A 92 107.709 -16.488 -2.065 1.00 0.00 C ATOM 1481 CG LEU A 92 109.126 -16.421 -2.666 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.120 -17.105 -1.723 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.146 -17.137 -4.021 1.00 0.00 C ATOM 0 H LEU A 92 105.626 -16.008 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 92 107.754 -14.385 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.755 -16.879 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.092 -17.176 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 92 109.407 -15.376 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.121 -17.056 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 92 110.113 -16.599 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.834 -18.148 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.150 -17.088 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 92 108.860 -18.180 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.443 -16.653 -4.699 1.00 0.00 H new ATOM 1495 N ASP A 93 105.728 -15.142 -4.080 1.00 0.00 N ATOM 1496 CA ASP A 93 105.369 -14.775 -5.443 1.00 0.00 C ATOM 1497 C ASP A 93 104.960 -13.304 -5.485 1.00 0.00 C ATOM 1498 O ASP A 93 105.249 -12.593 -6.449 1.00 0.00 O ATOM 1499 CB ASP A 93 104.221 -15.674 -5.939 1.00 0.00 C ATOM 1500 CG ASP A 93 103.068 -14.834 -6.486 1.00 0.00 C ATOM 1501 OD1 ASP A 93 103.277 -14.147 -7.472 1.00 0.00 O ATOM 1502 OD2 ASP A 93 101.994 -14.891 -5.910 1.00 0.00 O ATOM 0 H ASP A 93 105.086 -15.797 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 93 106.227 -14.918 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.588 -16.344 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.864 -16.300 -5.121 1.00 0.00 H new ATOM 1507 N SER A 94 104.296 -12.856 -4.422 1.00 0.00 N ATOM 1508 CA SER A 94 103.860 -11.467 -4.330 1.00 0.00 C ATOM 1509 C SER A 94 105.069 -10.554 -4.181 1.00 0.00 C ATOM 1510 O SER A 94 105.102 -9.450 -4.725 1.00 0.00 O ATOM 1511 CB SER A 94 102.941 -11.292 -3.119 1.00 0.00 C ATOM 1512 OG SER A 94 101.619 -11.678 -3.469 1.00 0.00 O ATOM 0 H SER A 94 104.050 -13.432 -3.617 1.00 0.00 H new ATOM 0 HA SER A 94 103.318 -11.205 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.300 -11.897 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.953 -10.254 -2.787 1.00 0.00 H new ATOM 0 HG SER A 94 101.589 -12.647 -3.615 1.00 0.00 H new ATOM 1518 N ILE A 95 106.057 -11.028 -3.432 1.00 0.00 N ATOM 1519 CA ILE A 95 107.268 -10.254 -3.204 1.00 0.00 C ATOM 1520 C ILE A 95 107.954 -9.927 -4.522 1.00 0.00 C ATOM 1521 O ILE A 95 108.506 -8.839 -4.689 1.00 0.00 O ATOM 1522 CB ILE A 95 108.236 -11.046 -2.318 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.718 -11.055 -0.877 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.625 -10.398 -2.360 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.600 -11.959 -0.007 1.00 0.00 C ATOM 0 H ILE A 95 106.043 -11.940 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 95 106.989 -9.324 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 95 108.306 -12.070 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.716 -10.041 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.687 -11.409 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.310 -10.964 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 95 109.995 -10.396 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.559 -9.373 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.224 -11.959 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.580 -12.975 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.624 -11.586 -0.017 1.00 0.00 H new ATOM 1537 N SER A 96 107.948 -10.882 -5.447 1.00 0.00 N ATOM 1538 CA SER A 96 108.611 -10.671 -6.726 1.00 0.00 C ATOM 1539 C SER A 96 107.859 -9.663 -7.585 1.00 0.00 C ATOM 1540 O SER A 96 108.475 -8.816 -8.230 1.00 0.00 O ATOM 1541 CB SER A 96 108.763 -11.993 -7.475 1.00 0.00 C ATOM 1542 OG SER A 96 110.100 -12.127 -7.937 1.00 0.00 O ATOM 0 H SER A 96 107.500 -11.792 -5.338 1.00 0.00 H new ATOM 0 HA SER A 96 109.601 -10.264 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.509 -12.826 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.071 -12.028 -8.317 1.00 0.00 H new ATOM 0 HG SER A 96 110.197 -12.976 -8.416 1.00 0.00 H new ATOM 1548 N HIS A 97 106.537 -9.740 -7.602 1.00 0.00 N ATOM 1549 CA HIS A 97 105.781 -8.796 -8.406 1.00 0.00 C ATOM 1550 C HIS A 97 106.037 -7.381 -7.893 1.00 0.00 C ATOM 1551 O HIS A 97 106.163 -6.442 -8.675 1.00 0.00 O ATOM 1552 CB HIS A 97 104.291 -9.120 -8.372 1.00 0.00 C ATOM 1553 CG HIS A 97 103.982 -10.255 -9.307 1.00 0.00 C ATOM 1554 ND1 HIS A 97 104.189 -10.163 -10.674 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.458 -11.505 -9.090 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.790 -11.325 -11.222 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.336 -12.178 -10.301 1.00 0.00 N ATOM 0 H HIS A 97 105.981 -10.423 -7.086 1.00 0.00 H new ATOM 0 HA HIS A 97 106.109 -8.869 -9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 97 103.993 -9.384 -7.357 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.714 -8.240 -8.655 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.182 -11.905 -8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.832 -11.542 -12.279 1.00 0.00 H new ATOM 0 HE2 HIS A 97 102.977 -13.121 -10.453 1.00 0.00 H new ATOM 1565 N LEU A 98 106.149 -7.239 -6.579 1.00 0.00 N ATOM 1566 CA LEU A 98 106.435 -5.937 -5.986 1.00 0.00 C ATOM 1567 C LEU A 98 107.852 -5.492 -6.355 1.00 0.00 C ATOM 1568 O LEU A 98 108.094 -4.303 -6.558 1.00 0.00 O ATOM 1569 CB LEU A 98 106.259 -5.988 -4.462 1.00 0.00 C ATOM 1570 CG LEU A 98 106.208 -4.563 -3.881 1.00 0.00 C ATOM 1571 CD1 LEU A 98 105.236 -4.524 -2.699 1.00 0.00 C ATOM 1572 CD2 LEU A 98 107.600 -4.149 -3.394 1.00 0.00 C ATOM 0 H LEU A 98 106.048 -8.000 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 98 105.728 -5.208 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 98 105.342 -6.522 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.083 -6.542 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 98 105.873 -3.876 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 98 105.202 -3.514 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 98 104.241 -4.813 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 98 105.573 -5.217 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 98 107.557 -3.140 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 98 107.936 -4.840 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.299 -4.172 -4.230 1.00 0.00 H new ATOM 1584 N ARG A 99 108.781 -6.436 -6.470 1.00 0.00 N ATOM 1585 CA ARG A 99 110.148 -6.082 -6.849 1.00 0.00 C ATOM 1586 C ARG A 99 110.136 -5.391 -8.215 1.00 0.00 C ATOM 1587 O ARG A 99 110.874 -4.434 -8.447 1.00 0.00 O ATOM 1588 CB ARG A 99 111.026 -7.339 -6.906 1.00 0.00 C ATOM 1589 CG ARG A 99 111.684 -7.575 -5.540 1.00 0.00 C ATOM 1590 CD ARG A 99 111.960 -9.069 -5.356 1.00 0.00 C ATOM 1591 NE ARG A 99 112.280 -9.685 -6.638 1.00 0.00 N ATOM 1592 CZ ARG A 99 113.526 -9.711 -7.100 1.00 0.00 C ATOM 1593 NH1 ARG A 99 114.490 -9.175 -6.403 1.00 0.00 N ATOM 1594 NH2 ARG A 99 113.785 -10.273 -8.249 1.00 0.00 N ATOM 0 H ARG A 99 108.620 -7.431 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 99 110.561 -5.403 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.422 -8.203 -7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.791 -7.225 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.614 -7.012 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 99 111.033 -7.214 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 99 112.787 -9.210 -4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.089 -9.556 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 99 111.533 -10.104 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 99 114.287 -8.737 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 99 115.447 -9.194 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 99 113.031 -10.693 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 99 114.741 -10.293 -8.603 1.00 0.00 H new ATOM 1608 N ARG A 100 109.270 -5.877 -9.100 1.00 0.00 N ATOM 1609 CA ARG A 100 109.126 -5.303 -10.436 1.00 0.00 C ATOM 1610 C ARG A 100 108.756 -3.825 -10.352 1.00 0.00 C ATOM 1611 O ARG A 100 109.316 -2.987 -11.060 1.00 0.00 O ATOM 1612 CB ARG A 100 108.015 -6.038 -11.195 1.00 0.00 C ATOM 1613 CG ARG A 100 108.514 -7.421 -11.634 1.00 0.00 C ATOM 1614 CD ARG A 100 109.316 -7.301 -12.939 1.00 0.00 C ATOM 1615 NE ARG A 100 110.451 -8.220 -12.915 1.00 0.00 N ATOM 1616 CZ ARG A 100 111.585 -7.935 -13.552 1.00 0.00 C ATOM 1617 NH1 ARG A 100 111.701 -6.819 -14.218 1.00 0.00 N ATOM 1618 NH2 ARG A 100 112.582 -8.775 -13.510 1.00 0.00 N ATOM 0 H ARG A 100 108.655 -6.670 -8.916 1.00 0.00 H new ATOM 0 HA ARG A 100 110.078 -5.409 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.136 -6.143 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.711 -5.457 -12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.138 -7.856 -10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.668 -8.093 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 100 108.675 -7.525 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 100 109.669 -6.278 -13.066 1.00 0.00 H new ATOM 0 HE ARG A 100 110.373 -9.097 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 100 110.922 -6.162 -14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 100 112.571 -6.604 -14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 100 112.492 -9.648 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 100 113.452 -8.559 -13.997 1.00 0.00 H new ATOM 1632 N LEU A 101 107.797 -3.523 -9.484 1.00 0.00 N ATOM 1633 CA LEU A 101 107.337 -2.149 -9.312 1.00 0.00 C ATOM 1634 C LEU A 101 108.448 -1.279 -8.740 1.00 0.00 C ATOM 1635 O LEU A 101 108.593 -0.118 -9.121 1.00 0.00 O ATOM 1636 CB LEU A 101 106.111 -2.100 -8.382 1.00 0.00 C ATOM 1637 CG LEU A 101 104.833 -2.515 -9.132 1.00 0.00 C ATOM 1638 CD1 LEU A 101 104.718 -1.765 -10.465 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.850 -4.024 -9.389 1.00 0.00 C ATOM 0 H LEU A 101 107.325 -4.206 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 101 107.054 -1.764 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.269 -2.763 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 101 105.992 -1.092 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 101 103.972 -2.260 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 101 103.807 -2.074 -10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 101 104.683 -0.692 -10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.582 -1.996 -11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.943 -4.313 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 101 105.721 -4.281 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 101 104.898 -4.555 -8.438 1.00 0.00 H new ATOM 1651 N VAL A 102 109.228 -1.839 -7.828 1.00 0.00 N ATOM 1652 CA VAL A 102 110.320 -1.091 -7.224 1.00 0.00 C ATOM 1653 C VAL A 102 111.381 -0.763 -8.273 1.00 0.00 C ATOM 1654 O VAL A 102 111.836 0.375 -8.378 1.00 0.00 O ATOM 1655 CB VAL A 102 110.937 -1.913 -6.088 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.242 -1.261 -5.623 1.00 0.00 C ATOM 1657 CG2 VAL A 102 109.952 -1.972 -4.917 1.00 0.00 C ATOM 0 H VAL A 102 109.128 -2.797 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 102 109.932 -0.156 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 102 111.148 -2.921 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.676 -1.850 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.943 -1.216 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 102 112.037 -0.252 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.386 -2.556 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.744 -0.961 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 102 109.024 -2.441 -5.245 1.00 0.00 H new ATOM 1667 N GLU A 103 111.762 -1.770 -9.049 1.00 0.00 N ATOM 1668 CA GLU A 103 112.765 -1.589 -10.093 1.00 0.00 C ATOM 1669 C GLU A 103 112.259 -0.662 -11.201 1.00 0.00 C ATOM 1670 O GLU A 103 113.018 0.142 -11.742 1.00 0.00 O ATOM 1671 CB GLU A 103 113.134 -2.950 -10.692 1.00 0.00 C ATOM 1672 CG GLU A 103 114.300 -2.787 -11.673 1.00 0.00 C ATOM 1673 CD GLU A 103 113.805 -2.210 -12.996 1.00 0.00 C ATOM 1674 OE1 GLU A 103 112.614 -2.293 -13.249 1.00 0.00 O ATOM 1675 OE2 GLU A 103 114.624 -1.691 -13.736 1.00 0.00 O ATOM 0 H GLU A 103 111.393 -2.718 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 103 113.644 -1.129 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 103 113.409 -3.644 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 103 112.272 -3.377 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 103 115.056 -2.131 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 103 114.776 -3.752 -11.845 1.00 0.00 H new ATOM 1682 N LEU A 104 110.984 -0.800 -11.555 1.00 0.00 N ATOM 1683 CA LEU A 104 110.405 0.009 -12.628 1.00 0.00 C ATOM 1684 C LEU A 104 110.182 1.463 -12.199 1.00 0.00 C ATOM 1685 O LEU A 104 110.448 2.384 -12.970 1.00 0.00 O ATOM 1686 CB LEU A 104 109.068 -0.600 -13.075 1.00 0.00 C ATOM 1687 CG LEU A 104 109.318 -1.792 -14.012 1.00 0.00 C ATOM 1688 CD1 LEU A 104 108.119 -2.743 -13.962 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.501 -1.292 -15.450 1.00 0.00 C ATOM 0 H LEU A 104 110.336 -1.457 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 104 111.115 0.010 -13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.498 -0.925 -12.204 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.468 0.154 -13.585 1.00 0.00 H new ATOM 0 HG LEU A 104 110.218 -2.316 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 104 108.297 -3.588 -14.627 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.984 -3.105 -12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 104 107.221 -2.214 -14.281 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.678 -2.141 -16.111 1.00 0.00 H new ATOM 0 HD22 LEU A 104 108.602 -0.765 -15.769 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.354 -0.614 -15.494 1.00 0.00 H new ATOM 1701 N ASN A 105 109.680 1.670 -10.985 1.00 0.00 N ATOM 1702 CA ASN A 105 109.420 3.030 -10.508 1.00 0.00 C ATOM 1703 C ASN A 105 110.725 3.777 -10.235 1.00 0.00 C ATOM 1704 O ASN A 105 110.827 4.978 -10.489 1.00 0.00 O ATOM 1705 CB ASN A 105 108.564 2.992 -9.234 1.00 0.00 C ATOM 1706 CG ASN A 105 109.454 3.031 -7.994 1.00 0.00 C ATOM 1707 OD1 ASN A 105 110.215 2.009 -7.717 1.00 0.00 O flip ATOM 1708 ND2 ASN A 105 109.460 4.021 -7.264 1.00 0.00 N flip ATOM 0 H ASN A 105 109.448 0.930 -10.322 1.00 0.00 H new ATOM 0 HA ASN A 105 108.877 3.562 -11.290 1.00 0.00 H new ATOM 0 HB2 ASN A 105 107.878 3.839 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 105 107.955 2.088 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 105 108.864 4.819 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 105 110.061 4.044 -6.440 1.00 0.00 H new ATOM 1715 N LEU A 106 111.715 3.063 -9.710 1.00 0.00 N ATOM 1716 CA LEU A 106 113.003 3.674 -9.402 1.00 0.00 C ATOM 1717 C LEU A 106 113.593 4.335 -10.644 1.00 0.00 C ATOM 1718 O LEU A 106 114.353 5.299 -10.544 1.00 0.00 O ATOM 1719 CB LEU A 106 113.978 2.606 -8.880 1.00 0.00 C ATOM 1720 CG LEU A 106 114.049 2.655 -7.350 1.00 0.00 C ATOM 1721 CD1 LEU A 106 114.521 1.300 -6.827 1.00 0.00 C ATOM 1722 CD2 LEU A 106 115.044 3.736 -6.914 1.00 0.00 C ATOM 0 H LEU A 106 111.652 2.069 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 106 112.849 4.434 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.653 1.617 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 106 114.969 2.771 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 106 113.063 2.886 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.574 1.328 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.819 0.526 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 106 115.508 1.077 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 106 115.092 3.768 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.031 3.505 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 106 114.717 4.705 -7.292 1.00 0.00 H new ATOM 1734 N GLY A 107 113.247 3.806 -11.811 1.00 0.00 N ATOM 1735 CA GLY A 107 113.759 4.349 -13.061 1.00 0.00 C ATOM 1736 C GLY A 107 115.278 4.448 -13.010 1.00 0.00 C ATOM 1737 O GLY A 107 115.849 5.515 -13.235 1.00 0.00 O ATOM 0 H GLY A 107 112.620 3.009 -11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 107 113.457 3.713 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 107 113.329 5.334 -13.241 1.00 0.00 H new ATOM 1741 N ASP A 108 115.924 3.326 -12.706 1.00 0.00 N ATOM 1742 CA ASP A 108 117.380 3.283 -12.615 1.00 0.00 C ATOM 1743 C ASP A 108 118.020 4.198 -13.653 1.00 0.00 C ATOM 1744 O ASP A 108 118.611 5.222 -13.311 1.00 0.00 O ATOM 1745 CB ASP A 108 117.871 1.850 -12.830 1.00 0.00 C ATOM 1746 CG ASP A 108 119.387 1.789 -12.679 1.00 0.00 C ATOM 1747 OD1 ASP A 108 120.063 2.487 -13.416 1.00 0.00 O ATOM 1748 OD2 ASP A 108 119.848 1.044 -11.830 1.00 0.00 O ATOM 0 H ASP A 108 115.463 2.436 -12.519 1.00 0.00 H new ATOM 0 HA ASP A 108 117.669 3.628 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 108 117.399 1.183 -12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 108 117.582 1.503 -13.822 1.00 0.00 H new ATOM 1753 N GLU A 109 117.903 3.820 -14.919 1.00 0.00 N ATOM 1754 CA GLU A 109 118.481 4.611 -15.998 1.00 0.00 C ATOM 1755 C GLU A 109 117.691 5.900 -16.207 1.00 0.00 C ATOM 1756 O GLU A 109 116.622 5.891 -16.815 1.00 0.00 O ATOM 1757 CB GLU A 109 118.490 3.797 -17.295 1.00 0.00 C ATOM 1758 CG GLU A 109 117.070 3.297 -17.611 1.00 0.00 C ATOM 1759 CD GLU A 109 116.551 3.947 -18.891 1.00 0.00 C ATOM 1760 OE1 GLU A 109 116.738 5.142 -19.043 1.00 0.00 O ATOM 1761 OE2 GLU A 109 115.976 3.238 -19.700 1.00 0.00 O ATOM 0 H GLU A 109 117.417 2.977 -15.223 1.00 0.00 H new ATOM 0 HA GLU A 109 119.504 4.870 -15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 109 118.860 4.410 -18.117 1.00 0.00 H new ATOM 0 HB3 GLU A 109 119.170 2.950 -17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 109 117.075 2.213 -17.722 1.00 0.00 H new ATOM 0 HG3 GLU A 109 116.403 3.529 -16.781 1.00 0.00 H new ATOM 1768 N GLU A 110 118.231 7.008 -15.705 1.00 0.00 N ATOM 1769 CA GLU A 110 117.576 8.305 -15.846 1.00 0.00 C ATOM 1770 C GLU A 110 116.181 8.281 -15.228 1.00 0.00 C ATOM 1771 O GLU A 110 116.004 7.850 -14.089 1.00 0.00 O ATOM 1772 CB GLU A 110 117.475 8.681 -17.329 1.00 0.00 C ATOM 1773 CG GLU A 110 118.870 8.665 -17.966 1.00 0.00 C ATOM 1774 CD GLU A 110 119.583 9.989 -17.707 1.00 0.00 C ATOM 1775 OE1 GLU A 110 119.340 10.576 -16.667 1.00 0.00 O ATOM 1776 OE2 GLU A 110 120.360 10.395 -18.556 1.00 0.00 O ATOM 0 H GLU A 110 119.116 7.034 -15.199 1.00 0.00 H new ATOM 0 HA GLU A 110 118.176 9.048 -15.321 1.00 0.00 H new ATOM 0 HB2 GLU A 110 116.821 7.980 -17.847 1.00 0.00 H new ATOM 0 HB3 GLU A 110 117.029 9.670 -17.433 1.00 0.00 H new ATOM 0 HG2 GLU A 110 119.455 7.842 -17.556 1.00 0.00 H new ATOM 0 HG3 GLU A 110 118.786 8.493 -19.039 1.00 0.00 H new ATOM 1783 N LEU A 111 115.196 8.755 -15.988 1.00 0.00 N ATOM 1784 CA LEU A 111 113.816 8.790 -15.507 1.00 0.00 C ATOM 1785 C LEU A 111 113.717 9.630 -14.236 1.00 0.00 C ATOM 1786 O LEU A 111 113.942 9.132 -13.135 1.00 0.00 O ATOM 1787 CB LEU A 111 113.313 7.364 -15.235 1.00 0.00 C ATOM 1788 CG LEU A 111 112.673 6.775 -16.503 1.00 0.00 C ATOM 1789 CD1 LEU A 111 111.333 7.468 -16.793 1.00 0.00 C ATOM 1790 CD2 LEU A 111 113.619 6.966 -17.697 1.00 0.00 C ATOM 0 H LEU A 111 115.326 9.118 -16.932 1.00 0.00 H new ATOM 0 HA LEU A 111 113.192 9.244 -16.277 1.00 0.00 H new ATOM 0 HB2 LEU A 111 114.141 6.734 -14.911 1.00 0.00 H new ATOM 0 HB3 LEU A 111 112.585 7.376 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 111 112.495 5.711 -16.346 1.00 0.00 H new ATOM 0 HD11 LEU A 111 110.890 7.042 -17.693 1.00 0.00 H new ATOM 0 HD12 LEU A 111 110.657 7.320 -15.951 1.00 0.00 H new ATOM 0 HD13 LEU A 111 111.500 8.535 -16.941 1.00 0.00 H new ATOM 0 HD21 LEU A 111 113.162 6.547 -18.594 1.00 0.00 H new ATOM 0 HD22 LEU A 111 113.805 8.029 -17.847 1.00 0.00 H new ATOM 0 HD23 LEU A 111 114.562 6.457 -17.499 1.00 0.00 H new ATOM 1802 N LEU A 112 113.375 10.906 -14.412 1.00 0.00 N ATOM 1803 CA LEU A 112 113.234 11.841 -13.293 1.00 0.00 C ATOM 1804 C LEU A 112 114.062 11.408 -12.082 1.00 0.00 C ATOM 1805 O LEU A 112 115.292 11.408 -12.127 1.00 0.00 O ATOM 1806 CB LEU A 112 111.759 11.965 -12.889 1.00 0.00 C ATOM 1807 CG LEU A 112 111.140 10.571 -12.692 1.00 0.00 C ATOM 1808 CD1 LEU A 112 110.074 10.637 -11.597 1.00 0.00 C ATOM 1809 CD2 LEU A 112 110.491 10.099 -13.998 1.00 0.00 C ATOM 0 H LEU A 112 113.189 11.319 -15.326 1.00 0.00 H new ATOM 0 HA LEU A 112 113.607 12.809 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.675 12.541 -11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.209 12.509 -13.657 1.00 0.00 H new ATOM 0 HG LEU A 112 111.924 9.870 -12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.635 9.649 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 112 110.531 10.967 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 112 109.296 11.342 -11.889 1.00 0.00 H new ATOM 0 HD21 LEU A 112 110.055 9.111 -13.851 1.00 0.00 H new ATOM 0 HD22 LEU A 112 109.710 10.801 -14.291 1.00 0.00 H new ATOM 0 HD23 LEU A 112 111.246 10.049 -14.782 1.00 0.00 H new ATOM 1821 N GLU A 113 113.377 11.049 -10.999 1.00 0.00 N ATOM 1822 CA GLU A 113 114.050 10.622 -9.774 1.00 0.00 C ATOM 1823 C GLU A 113 114.738 11.812 -9.107 1.00 0.00 C ATOM 1824 O GLU A 113 114.267 12.317 -8.088 1.00 0.00 O ATOM 1825 CB GLU A 113 115.082 9.523 -10.082 1.00 0.00 C ATOM 1826 CG GLU A 113 114.738 8.254 -9.296 1.00 0.00 C ATOM 1827 CD GLU A 113 113.414 7.680 -9.790 1.00 0.00 C ATOM 1828 OE1 GLU A 113 113.282 7.500 -10.990 1.00 0.00 O ATOM 1829 OE2 GLU A 113 112.553 7.431 -8.963 1.00 0.00 O ATOM 0 H GLU A 113 112.358 11.045 -10.944 1.00 0.00 H new ATOM 0 HA GLU A 113 113.302 10.218 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 113 115.091 9.309 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 113 116.082 9.866 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 113 115.531 7.516 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 113 114.671 8.482 -8.232 1.00 0.00 H new ATOM 1836 N ARG A 114 115.848 12.255 -9.694 1.00 0.00 N ATOM 1837 CA ARG A 114 116.599 13.391 -9.158 1.00 0.00 C ATOM 1838 C ARG A 114 116.584 13.385 -7.628 1.00 0.00 C ATOM 1839 O ARG A 114 115.614 13.814 -7.003 1.00 0.00 O ATOM 1840 CB ARG A 114 116.016 14.717 -9.682 1.00 0.00 C ATOM 1841 CG ARG A 114 114.609 14.493 -10.246 1.00 0.00 C ATOM 1842 CD ARG A 114 114.102 15.794 -10.870 1.00 0.00 C ATOM 1843 NE ARG A 114 112.795 15.585 -11.482 1.00 0.00 N ATOM 1844 CZ ARG A 114 112.030 16.613 -11.835 1.00 0.00 C ATOM 1845 NH1 ARG A 114 112.447 17.834 -11.642 1.00 0.00 N ATOM 1846 NH2 ARG A 114 110.862 16.401 -12.376 1.00 0.00 N ATOM 0 H ARG A 114 116.247 11.847 -10.539 1.00 0.00 H new ATOM 0 HA ARG A 114 117.632 13.299 -9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 114 115.980 15.450 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 114 116.665 15.127 -10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 114 114.626 13.700 -10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 114 113.934 14.169 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 114 114.034 16.569 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 114 114.810 16.146 -11.620 1.00 0.00 H new ATOM 0 HE ARG A 114 112.462 14.634 -11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 114 113.361 18.000 -11.220 1.00 0.00 H new ATOM 0 HH12 ARG A 114 111.859 18.622 -11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 114 110.536 15.447 -12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 114 110.275 17.190 -12.647 1.00 0.00 H new ATOM 1860 N GLU A 115 117.669 12.898 -7.038 1.00 0.00 N ATOM 1861 CA GLU A 115 117.778 12.836 -5.584 1.00 0.00 C ATOM 1862 C GLU A 115 117.429 14.182 -4.949 1.00 0.00 C ATOM 1863 O GLU A 115 117.192 14.263 -3.745 1.00 0.00 O ATOM 1864 CB GLU A 115 119.201 12.438 -5.184 1.00 0.00 C ATOM 1865 CG GLU A 115 119.721 11.363 -6.143 1.00 0.00 C ATOM 1866 CD GLU A 115 120.961 10.693 -5.561 1.00 0.00 C ATOM 1867 OE1 GLU A 115 121.072 10.647 -4.346 1.00 0.00 O ATOM 1868 OE2 GLU A 115 121.783 10.235 -6.337 1.00 0.00 O ATOM 0 H GLU A 115 118.482 12.542 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 115 117.071 12.088 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 115 119.854 13.310 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 115 119.211 12.063 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 115 118.946 10.618 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 115 119.960 11.811 -7.108 1.00 0.00 H new ATOM 1875 N LEU A 116 117.403 15.235 -5.760 1.00 0.00 N ATOM 1876 CA LEU A 116 117.088 16.566 -5.249 1.00 0.00 C ATOM 1877 C LEU A 116 115.759 16.546 -4.499 1.00 0.00 C ATOM 1878 O LEU A 116 115.640 17.097 -3.405 1.00 0.00 O ATOM 1879 CB LEU A 116 117.012 17.567 -6.406 1.00 0.00 C ATOM 1880 CG LEU A 116 118.414 18.087 -6.727 1.00 0.00 C ATOM 1881 CD1 LEU A 116 119.325 16.911 -7.080 1.00 0.00 C ATOM 1882 CD2 LEU A 116 118.339 19.048 -7.915 1.00 0.00 C ATOM 0 H LEU A 116 117.593 15.195 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 116 117.877 16.870 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 116 116.580 17.090 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 116 116.357 18.397 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 116 118.816 18.610 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 116 120.324 17.281 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 116 119.377 16.225 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 116 118.924 16.388 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 116 119.337 19.420 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 116 117.938 18.524 -8.782 1.00 0.00 H new ATOM 0 HD23 LEU A 116 117.688 19.886 -7.665 1.00 0.00 H new ATOM 1894 N ALA A 117 114.767 15.900 -5.099 1.00 0.00 N ATOM 1895 CA ALA A 117 113.445 15.798 -4.494 1.00 0.00 C ATOM 1896 C ALA A 117 113.522 15.135 -3.123 1.00 0.00 C ATOM 1897 O ALA A 117 112.993 15.653 -2.139 1.00 0.00 O ATOM 1898 CB ALA A 117 112.559 14.940 -5.396 1.00 0.00 C ATOM 0 H ALA A 117 114.853 15.439 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 117 113.036 16.802 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 117 111.566 14.855 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 117 112.482 15.405 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 117 112.997 13.947 -5.498 1.00 0.00 H new ATOM 1904 N LEU A 118 114.155 13.971 -3.076 1.00 0.00 N ATOM 1905 CA LEU A 118 114.267 13.218 -1.832 1.00 0.00 C ATOM 1906 C LEU A 118 115.002 13.999 -0.747 1.00 0.00 C ATOM 1907 O LEU A 118 114.536 14.068 0.389 1.00 0.00 O ATOM 1908 CB LEU A 118 114.997 11.900 -2.092 1.00 0.00 C ATOM 1909 CG LEU A 118 114.456 11.256 -3.373 1.00 0.00 C ATOM 1910 CD1 LEU A 118 115.005 9.834 -3.500 1.00 0.00 C ATOM 1911 CD2 LEU A 118 112.925 11.207 -3.316 1.00 0.00 C ATOM 0 H LEU A 118 114.598 13.528 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 118 113.255 13.027 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 118 116.068 12.079 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 118 114.860 11.224 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 118 114.769 11.846 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 118 114.620 9.376 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.094 9.867 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 118 114.693 9.245 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 118 112.541 10.749 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 118 112.612 10.618 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 118 112.532 12.220 -3.226 1.00 0.00 H new ATOM 1923 N LEU A 119 116.153 14.573 -1.082 1.00 0.00 N ATOM 1924 CA LEU A 119 116.912 15.317 -0.083 1.00 0.00 C ATOM 1925 C LEU A 119 116.234 16.647 0.241 1.00 0.00 C ATOM 1926 O LEU A 119 116.092 17.005 1.411 1.00 0.00 O ATOM 1927 CB LEU A 119 118.335 15.575 -0.601 1.00 0.00 C ATOM 1928 CG LEU A 119 119.274 14.436 -0.173 1.00 0.00 C ATOM 1929 CD1 LEU A 119 119.519 14.492 1.343 1.00 0.00 C ATOM 1930 CD2 LEU A 119 118.649 13.083 -0.548 1.00 0.00 C ATOM 0 H LEU A 119 116.572 14.540 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 119 116.955 14.722 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 119 118.324 15.657 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 119 118.704 16.525 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 119 120.228 14.550 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 119 120.186 13.680 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 119 119.975 15.447 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 119 118.570 14.388 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 119 119.317 12.277 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 119 117.691 12.972 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 119 118.496 13.039 -1.626 1.00 0.00 H new ATOM 1942 N VAL A 120 115.897 17.416 -0.788 1.00 0.00 N ATOM 1943 CA VAL A 120 115.333 18.743 -0.563 1.00 0.00 C ATOM 1944 C VAL A 120 114.079 18.680 0.302 1.00 0.00 C ATOM 1945 O VAL A 120 113.575 19.708 0.753 1.00 0.00 O ATOM 1946 CB VAL A 120 114.999 19.403 -1.903 1.00 0.00 C ATOM 1947 CG1 VAL A 120 114.304 20.746 -1.656 1.00 0.00 C ATOM 1948 CG2 VAL A 120 116.292 19.635 -2.694 1.00 0.00 C ATOM 0 H VAL A 120 116.001 17.152 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 120 116.080 19.336 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 120 114.335 18.752 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 120 114.067 21.214 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 120 113.384 20.582 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 120 114.965 21.399 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 120 116.055 20.105 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 120 116.956 20.285 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 120 116.786 18.680 -2.873 1.00 0.00 H new ATOM 1958 N SER A 121 113.595 17.470 0.562 1.00 0.00 N ATOM 1959 CA SER A 121 112.419 17.306 1.409 1.00 0.00 C ATOM 1960 C SER A 121 112.854 17.329 2.868 1.00 0.00 C ATOM 1961 O SER A 121 112.192 17.920 3.722 1.00 0.00 O ATOM 1962 CB SER A 121 111.723 15.981 1.096 1.00 0.00 C ATOM 1963 OG SER A 121 110.450 15.959 1.727 1.00 0.00 O ATOM 0 H SER A 121 113.991 16.601 0.205 1.00 0.00 H new ATOM 0 HA SER A 121 111.718 18.119 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 121 111.610 15.862 0.018 1.00 0.00 H new ATOM 0 HB3 SER A 121 112.330 15.146 1.447 1.00 0.00 H new ATOM 0 HG SER A 121 110.000 15.111 1.527 1.00 0.00 H new ATOM 1969 N ALA A 122 113.985 16.683 3.135 1.00 0.00 N ATOM 1970 CA ALA A 122 114.542 16.623 4.483 1.00 0.00 C ATOM 1971 C ALA A 122 116.023 16.986 4.448 1.00 0.00 C ATOM 1972 O ALA A 122 116.435 17.828 3.652 1.00 0.00 O ATOM 1973 CB ALA A 122 114.365 15.218 5.061 1.00 0.00 C ATOM 0 H ALA A 122 114.536 16.191 2.432 1.00 0.00 H new ATOM 0 HA ALA A 122 114.014 17.336 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 122 114.784 15.183 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 122 113.304 14.972 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 122 114.881 14.496 4.428 1.00 0.00 H new ATOM 1979 N HIS A 123 116.814 16.338 5.301 1.00 0.00 N ATOM 1980 CA HIS A 123 118.256 16.589 5.357 1.00 0.00 C ATOM 1981 C HIS A 123 118.820 16.045 6.671 1.00 0.00 C ATOM 1982 O HIS A 123 118.257 15.122 7.259 1.00 0.00 O ATOM 1983 CB HIS A 123 118.541 18.090 5.262 1.00 0.00 C ATOM 1984 CG HIS A 123 117.814 18.785 6.376 1.00 0.00 C ATOM 1985 ND1 HIS A 123 117.235 18.080 7.416 1.00 0.00 N ATOM 1986 CD2 HIS A 123 117.560 20.110 6.631 1.00 0.00 C ATOM 1987 CE1 HIS A 123 116.666 18.970 8.245 1.00 0.00 C ATOM 1988 NE2 HIS A 123 116.833 20.224 7.814 1.00 0.00 N ATOM 0 H HIS A 123 116.483 15.636 5.963 1.00 0.00 H new ATOM 0 HA HIS A 123 118.733 16.086 4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 123 119.612 18.277 5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 123 118.214 18.477 4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 123 117.875 20.936 6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 123 116.138 18.705 9.149 1.00 0.00 H new ATOM 0 HE2 HIS A 123 116.500 21.081 8.256 1.00 0.00 H new ATOM 1996 N ASP A 124 119.933 16.620 7.129 1.00 0.00 N ATOM 1997 CA ASP A 124 120.558 16.180 8.376 1.00 0.00 C ATOM 1998 C ASP A 124 120.539 17.297 9.416 1.00 0.00 C ATOM 1999 O ASP A 124 121.437 17.390 10.253 1.00 0.00 O ATOM 2000 CB ASP A 124 122.004 15.763 8.109 1.00 0.00 C ATOM 2001 CG ASP A 124 122.070 14.865 6.878 1.00 0.00 C ATOM 2002 OD1 ASP A 124 121.681 15.322 5.816 1.00 0.00 O ATOM 2003 OD2 ASP A 124 122.507 13.735 7.016 1.00 0.00 O ATOM 0 H ASP A 124 120.417 17.385 6.659 1.00 0.00 H new ATOM 0 HA ASP A 124 119.993 15.332 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.624 16.647 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.405 15.237 8.975 1.00 0.00 H new ATOM 2008 N ASP A 125 119.515 18.141 9.358 1.00 0.00 N ATOM 2009 CA ASP A 125 119.394 19.251 10.301 1.00 0.00 C ATOM 2010 C ASP A 125 117.951 19.401 10.772 1.00 0.00 C ATOM 2011 O ASP A 125 117.342 20.406 10.443 1.00 0.00 O ATOM 2012 CB ASP A 125 119.852 20.550 9.637 1.00 0.00 C ATOM 2013 CG ASP A 125 121.268 20.388 9.096 1.00 0.00 C ATOM 2014 OD1 ASP A 125 122.049 19.702 9.734 1.00 0.00 O ATOM 2015 OD2 ASP A 125 121.551 20.952 8.052 1.00 0.00 O ATOM 2016 OXT ASP A 125 117.476 18.508 11.455 1.00 0.00 O ATOM 0 H ASP A 125 118.761 18.081 8.674 1.00 0.00 H new ATOM 0 HA ASP A 125 120.025 19.040 11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 125 119.172 20.813 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 125 119.820 21.367 10.358 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.654 3.196 13.504 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.767 2.329 14.699 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.330 3.712 13.087 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.310 2.418 12.252 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.548 2.217 11.060 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.245 1.285 10.063 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.250 0.543 9.336 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.110 2.010 9.016 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.512 1.980 9.354 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.873 1.191 7.760 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.745 0.056 7.698 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.426 0.776 7.935 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.460 1.817 7.535 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.618 2.558 8.316 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.910 3.441 7.682 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.314 3.280 6.359 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.893 3.971 5.194 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.084 4.886 5.106 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.544 3.503 4.061 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.485 2.495 4.049 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.994 2.177 2.861 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.885 1.846 5.145 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.261 2.287 6.259 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.050 1.573 10.823 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.295 0.390 11.292 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.528 1.523 10.777 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.619 2.836 11.722 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.826 4.168 11.245 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.454 5.202 12.302 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.885 6.506 11.894 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.963 5.301 12.593 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.638 4.454 13.700 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.795 6.751 12.990 1.00 0.00 C HETATM 2055 O2A C2E A 501 107.093 6.944 14.379 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.821 7.447 12.107 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.341 7.852 10.767 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.674 7.325 9.548 1.00 0.00 C HETATM 2059 N71 C2E A 501 107.128 7.910 8.526 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.362 8.919 9.104 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.533 9.894 8.487 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.312 10.059 7.290 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.937 10.724 9.425 1.00 0.00 N HETATM 2064 C21 C2E A 501 105.112 10.630 10.790 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.454 11.522 11.529 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.891 9.712 11.379 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.483 8.892 10.479 1.00 0.00 C HETATM 0 HO2A C2E A 501 107.087 6.078 14.838 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.521 0.207 8.277 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.863 12.221 11.079 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.541 11.506 12.545 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.694 1.439 2.787 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.684 2.671 2.024 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.322 11.460 9.079 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.870 4.296 10.961 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.229 4.332 10.348 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.575 1.801 11.321 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.365 3.180 10.584 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.308 3.938 3.169 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.349 6.476 9.443 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.546 2.417 9.394 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.954 4.860 13.208 1.00 0.00 H new HETATM 0 H4' C2E A 501 106.900 0.654 10.663 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.329 5.003 11.758 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.850 3.065 8.927 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.780 7.126 12.861 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.068 1.733 6.835 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.103 8.364 12.625 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.238 -0.093 7.305 1.00 0.00 H new HETATM 2090 P1 C2E A 502 102.326 13.198 3.638 1.00 0.00 P HETATM 2091 O2P C2E A 502 101.458 13.648 2.527 1.00 0.00 O HETATM 2092 O1P C2E A 502 103.176 11.998 3.470 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.405 12.983 4.943 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.866 11.692 5.253 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.582 11.548 6.746 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.293 10.178 7.068 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.745 11.941 7.637 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.742 13.352 7.868 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.407 11.194 8.906 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.403 11.880 9.664 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.880 9.884 8.346 1.00 0.00 C HETATM 2102 N9 C2E A 502 101.931 8.865 8.159 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.583 8.459 7.025 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.459 7.517 7.204 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.391 7.266 8.571 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.113 6.333 9.361 1.00 0.00 C HETATM 2107 O6 C2E A 502 104.974 5.534 9.000 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.739 6.400 10.695 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.792 7.256 11.210 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.572 7.166 12.521 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.110 8.136 10.471 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.459 8.086 9.163 1.00 0.00 C HETATM 2113 P11 C2E A 502 103.092 14.121 8.274 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.830 14.900 9.505 1.00 0.00 O HETATM 2115 O11 C2E A 502 104.210 13.153 8.236 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.275 15.154 7.052 1.00 0.00 O HETATM 2117 C5A C2E A 502 104.540 15.766 6.797 1.00 0.00 C HETATM 2118 C4A C2E A 502 105.018 15.488 5.373 1.00 0.00 C HETATM 2119 O4A C2E A 502 106.447 15.398 5.353 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.492 14.187 4.777 1.00 0.00 C HETATM 2121 O3A C2E A 502 103.272 14.429 4.068 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.590 13.801 3.799 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.401 14.422 2.523 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.840 14.319 4.494 1.00 0.00 C HETATM 2125 N91 C2E A 502 107.509 13.306 5.316 1.00 0.00 N HETATM 2126 C81 C2E A 502 107.512 13.145 6.669 1.00 0.00 C HETATM 2127 N71 C2E A 502 108.262 12.176 7.104 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.799 11.641 5.931 1.00 0.00 C HETATM 2129 C61 C2E A 502 109.696 10.557 5.750 1.00 0.00 C HETATM 2130 O61 C2E A 502 110.243 9.874 6.607 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.980 10.342 4.408 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.470 11.083 3.365 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.858 10.729 2.138 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.629 12.107 3.531 1.00 0.00 N HETATM 2135 C41 C2E A 502 108.339 12.327 4.836 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.480 14.749 2.451 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.326 12.803 9.345 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.500 9.946 2.012 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.513 11.241 1.326 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.883 7.772 12.965 1.00 0.00 H new HETATM 0 HN21 C2E A 502 103.093 6.491 13.080 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.614 9.577 4.177 1.00 0.00 H new HETATM 0 H512 C2E A 502 104.463 16.842 6.953 1.00 0.00 H new HETATM 0 H511 C2E A 502 105.276 15.393 7.509 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.946 11.536 4.690 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 101.567 10.919 4.939 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.202 5.765 11.345 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.930 13.780 7.336 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.382 8.894 6.046 1.00 0.00 H new HETATM 0 H4A C2E A 502 104.634 16.317 4.778 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.743 12.218 6.932 1.00 0.00 H new HETATM 0 H3A C2E A 502 104.278 13.421 5.522 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.728 11.710 7.227 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.624 12.733 3.582 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.243 11.082 9.596 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.544 14.626 3.720 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.165 9.470 9.057 1.00 0.00 H new