USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=23 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.0126 X(o=0.013,f=-0.16) USER MOD Set 2.1: A 71 MET CE :methyl 156:sc= -2.61! (180deg=-2.71!) USER MOD Set 2.2: A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00906 (180deg=-0.376) USER MOD Single : A 2 SER OG : rot 92:sc= 0.615 USER MOD Single : A 4 GLN :FLIP amide:sc= -4.17! C(o=-8.7!,f=-4.2!) USER MOD Single : A 5 HIS :FLIP no HE2:sc= -4.31! C(o=-7.2!,f=-4.3!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= -0.162 F(o=-0.81,f=-0.16) USER MOD Single : A 20 SER OG : rot 16:sc= 0.26 USER MOD Single : A 24 GLN :FLIP amide:sc= -12.7! C(o=-14!,f=-13!) USER MOD Single : A 34 HIS : no HE2:sc= -1.99 K(o=-2,f=-5!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 39 HIS : no HD1:sc= -2.75! C(o=-2.7!,f=-4.6!) USER MOD Single : A 45 GLN : amide:sc= -2.1 K(o=-2.1,f=-4.1!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0881 F(o=-1.3,f=-0.088) USER MOD Single : A 50 ASN :FLIP amide:sc= -2.04! C(o=-4.9!,f=-2!) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 62 TYR OH : rot 128:sc= -0.723 USER MOD Single : A 89 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-5.6!) USER MOD Single : A 94 SER OG : rot 164:sc= -7.07! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 105 ASN : amide:sc= -3.85! C(o=-3.8!,f=-6.2!) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 123 HIS : no HD1:sc= -4.12! C(o=-4.1!,f=-4.8!) USER MOD Single : A 501 C2E O2' : rot -14:sc= 0.284 USER MOD Single : A 501 C2E O2A : rot -18:sc= 0.281 USER MOD Single : A 502 C2E O2' : rot 2:sc= -0.372 USER MOD Single : A 502 C2E O2A : rot -18:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.936 23.741 9.422 1.00 0.00 N ATOM 2 CA MET A 1 113.192 22.474 9.179 1.00 0.00 C ATOM 3 C MET A 1 112.838 22.369 7.699 1.00 0.00 C ATOM 4 O MET A 1 113.576 21.758 6.928 1.00 0.00 O ATOM 5 CB MET A 1 111.918 22.465 10.029 1.00 0.00 C ATOM 6 CG MET A 1 112.288 22.652 11.501 1.00 0.00 C ATOM 7 SD MET A 1 110.875 22.203 12.538 1.00 0.00 S ATOM 8 CE MET A 1 111.563 22.772 14.112 1.00 0.00 C ATOM 0 H1 MET A 1 114.422 23.687 10.340 1.00 0.00 H new ATOM 0 H2 MET A 1 114.637 23.883 8.667 1.00 0.00 H new ATOM 0 H3 MET A 1 113.269 24.539 9.430 1.00 0.00 H new ATOM 0 HA MET A 1 113.812 21.621 9.456 1.00 0.00 H new ATOM 0 HB2 MET A 1 111.247 23.262 9.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 111.384 21.525 9.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 113.149 22.033 11.752 1.00 0.00 H new ATOM 0 HG3 MET A 1 112.575 23.687 11.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 110.844 22.589 14.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.485 22.231 14.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 111.775 23.840 14.052 1.00 0.00 H new ATOM 18 N SER A 2 111.707 22.978 7.324 1.00 0.00 N ATOM 19 CA SER A 2 111.220 22.980 5.936 1.00 0.00 C ATOM 20 C SER A 2 109.761 22.539 5.889 1.00 0.00 C ATOM 21 O SER A 2 109.298 21.800 6.758 1.00 0.00 O ATOM 22 CB SER A 2 112.046 22.047 5.042 1.00 0.00 C ATOM 23 OG SER A 2 113.342 22.600 4.852 1.00 0.00 O ATOM 0 H SER A 2 111.103 23.483 7.972 1.00 0.00 H new ATOM 0 HA SER A 2 111.319 23.999 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.123 21.061 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.551 21.914 4.080 1.00 0.00 H new ATOM 0 HG SER A 2 113.949 22.256 5.541 1.00 0.00 H new ATOM 29 N ASP A 3 109.040 22.989 4.864 1.00 0.00 N ATOM 30 CA ASP A 3 107.635 22.621 4.710 1.00 0.00 C ATOM 31 C ASP A 3 107.522 21.296 3.965 1.00 0.00 C ATOM 32 O ASP A 3 106.530 21.033 3.286 1.00 0.00 O ATOM 33 CB ASP A 3 106.884 23.710 3.941 1.00 0.00 C ATOM 34 CG ASP A 3 107.689 24.135 2.717 1.00 0.00 C ATOM 35 OD1 ASP A 3 108.486 23.338 2.250 1.00 0.00 O ATOM 36 OD2 ASP A 3 107.496 25.251 2.263 1.00 0.00 O ATOM 0 H ASP A 3 109.401 23.603 4.134 1.00 0.00 H new ATOM 0 HA ASP A 3 107.191 22.516 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 3 105.906 23.340 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 3 106.710 24.570 4.588 1.00 0.00 H new ATOM 41 N GLN A 4 108.550 20.464 4.109 1.00 0.00 N ATOM 42 CA GLN A 4 108.570 19.157 3.460 1.00 0.00 C ATOM 43 C GLN A 4 108.485 18.051 4.503 1.00 0.00 C ATOM 44 O GLN A 4 108.522 16.867 4.171 1.00 0.00 O ATOM 45 CB GLN A 4 109.847 19.001 2.629 1.00 0.00 C ATOM 46 CG GLN A 4 109.866 17.623 1.947 1.00 0.00 C ATOM 47 CD GLN A 4 110.689 16.630 2.766 1.00 0.00 C ATOM 48 OE1 GLN A 4 110.905 16.854 4.035 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 111.148 15.618 2.234 1.00 0.00 N flip ATOM 0 H GLN A 4 109.378 20.671 4.668 1.00 0.00 H new ATOM 0 HA GLN A 4 107.708 19.081 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 4 109.900 19.789 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 4 110.723 19.111 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 4 108.847 17.253 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 4 110.286 17.713 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 4 110.980 15.442 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 4 111.696 14.956 2.784 1.00 0.00 H new ATOM 58 N HIS A 5 108.364 18.450 5.764 1.00 0.00 N ATOM 59 CA HIS A 5 108.271 17.486 6.853 1.00 0.00 C ATOM 60 C HIS A 5 109.397 16.468 6.747 1.00 0.00 C ATOM 61 O HIS A 5 109.353 15.568 5.908 1.00 0.00 O ATOM 62 CB HIS A 5 106.916 16.772 6.814 1.00 0.00 C ATOM 63 CG HIS A 5 105.946 17.581 5.992 1.00 0.00 C ATOM 64 ND1 HIS A 5 105.692 17.618 4.643 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 105.090 18.510 6.562 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 104.697 18.553 4.378 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 104.370 19.062 5.569 1.00 0.00 N flip ATOM 0 H HIS A 5 108.328 19.427 6.056 1.00 0.00 H new ATOM 0 HA HIS A 5 108.362 18.018 7.800 1.00 0.00 H new ATOM 0 HB2 HIS A 5 107.030 15.776 6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 5 106.532 16.642 7.826 1.00 0.00 H new ATOM 0 HD1 HIS A 5 106.162 17.046 3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 5 105.015 18.748 7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 5 104.279 18.812 3.416 1.00 0.00 H new ATOM 75 N ASP A 6 110.409 16.621 7.592 1.00 0.00 N ATOM 76 CA ASP A 6 111.544 15.710 7.568 1.00 0.00 C ATOM 77 C ASP A 6 111.072 14.275 7.366 1.00 0.00 C ATOM 78 O ASP A 6 110.011 13.884 7.853 1.00 0.00 O ATOM 79 CB ASP A 6 112.338 15.819 8.869 1.00 0.00 C ATOM 80 CG ASP A 6 112.713 17.274 9.128 1.00 0.00 C ATOM 81 OD1 ASP A 6 111.833 18.036 9.492 1.00 0.00 O ATOM 82 OD2 ASP A 6 113.875 17.605 8.957 1.00 0.00 O ATOM 0 H ASP A 6 110.467 17.358 8.294 1.00 0.00 H new ATOM 0 HA ASP A 6 112.190 15.987 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 6 111.747 15.433 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 6 113.238 15.208 8.808 1.00 0.00 H new ATOM 87 N GLU A 7 111.863 13.505 6.635 1.00 0.00 N ATOM 88 CA GLU A 7 111.527 12.116 6.356 1.00 0.00 C ATOM 89 C GLU A 7 111.781 11.232 7.576 1.00 0.00 C ATOM 90 O GLU A 7 112.813 11.334 8.238 1.00 0.00 O ATOM 91 CB GLU A 7 112.309 11.608 5.145 1.00 0.00 C ATOM 92 CG GLU A 7 113.808 11.879 5.332 1.00 0.00 C ATOM 93 CD GLU A 7 114.190 13.204 4.680 1.00 0.00 C ATOM 94 OE1 GLU A 7 113.364 14.102 4.680 1.00 0.00 O ATOM 95 OE2 GLU A 7 115.303 13.301 4.190 1.00 0.00 O ATOM 0 H GLU A 7 112.742 13.818 6.224 1.00 0.00 H new ATOM 0 HA GLU A 7 110.463 12.066 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 7 112.138 10.539 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 7 111.953 12.100 4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.050 11.905 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 7 114.389 11.068 4.892 1.00 0.00 H new ATOM 102 N ARG A 8 110.821 10.360 7.849 1.00 0.00 N ATOM 103 CA ARG A 8 110.905 9.428 8.972 1.00 0.00 C ATOM 104 C ARG A 8 110.884 7.983 8.466 1.00 0.00 C ATOM 105 O ARG A 8 111.177 7.050 9.214 1.00 0.00 O ATOM 106 CB ARG A 8 109.717 9.638 9.923 1.00 0.00 C ATOM 107 CG ARG A 8 110.025 10.753 10.934 1.00 0.00 C ATOM 108 CD ARG A 8 109.734 12.117 10.309 1.00 0.00 C ATOM 109 NE ARG A 8 108.356 12.170 9.817 1.00 0.00 N ATOM 110 CZ ARG A 8 107.536 13.175 10.127 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.944 14.152 10.891 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.317 13.183 9.659 1.00 0.00 N ATOM 0 H ARG A 8 109.964 10.276 7.303 1.00 0.00 H new ATOM 0 HA ARG A 8 111.839 9.615 9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 8 108.826 9.895 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.499 8.710 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.422 10.619 11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.070 10.699 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.894 12.904 11.047 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.427 12.303 9.489 1.00 0.00 H new ATOM 0 HE ARG A 8 108.014 11.417 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.897 14.151 11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.310 14.917 11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 8 105.996 12.423 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.686 13.949 9.893 1.00 0.00 H new ATOM 126 N ARG A 9 110.536 7.807 7.190 1.00 0.00 N ATOM 127 CA ARG A 9 110.482 6.472 6.594 1.00 0.00 C ATOM 128 C ARG A 9 111.769 6.187 5.849 1.00 0.00 C ATOM 129 O ARG A 9 111.813 6.248 4.621 1.00 0.00 O ATOM 130 CB ARG A 9 109.301 6.352 5.624 1.00 0.00 C ATOM 131 CG ARG A 9 107.992 6.596 6.378 1.00 0.00 C ATOM 132 CD ARG A 9 106.850 6.884 5.388 1.00 0.00 C ATOM 133 NE ARG A 9 106.406 8.276 5.507 1.00 0.00 N ATOM 134 CZ ARG A 9 106.023 8.976 4.440 1.00 0.00 C ATOM 135 NH1 ARG A 9 106.026 8.428 3.255 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.637 10.215 4.581 1.00 0.00 N ATOM 0 H ARG A 9 110.289 8.566 6.554 1.00 0.00 H new ATOM 0 HA ARG A 9 110.351 5.748 7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.407 7.075 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 9 109.291 5.362 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 9 107.746 5.724 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 9 108.110 7.436 7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.186 6.689 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 9 106.014 6.212 5.582 1.00 0.00 H new ATOM 0 HE ARG A 9 106.390 8.718 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 9 106.323 7.459 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 9 105.732 8.969 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.629 10.645 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.343 10.754 3.766 1.00 0.00 H new ATOM 150 N ARG A 10 112.814 5.873 6.608 1.00 0.00 N ATOM 151 CA ARG A 10 114.123 5.568 6.032 1.00 0.00 C ATOM 152 C ARG A 10 114.322 6.315 4.710 1.00 0.00 C ATOM 153 O ARG A 10 114.903 7.400 4.685 1.00 0.00 O ATOM 154 CB ARG A 10 114.281 4.047 5.819 1.00 0.00 C ATOM 155 CG ARG A 10 112.908 3.359 5.685 1.00 0.00 C ATOM 156 CD ARG A 10 112.405 2.884 7.057 1.00 0.00 C ATOM 157 NE ARG A 10 112.196 4.007 7.963 1.00 0.00 N ATOM 158 CZ ARG A 10 113.123 4.374 8.850 1.00 0.00 C ATOM 159 NH1 ARG A 10 114.253 3.725 8.928 1.00 0.00 N ATOM 160 NH2 ARG A 10 112.897 5.383 9.646 1.00 0.00 N ATOM 0 H ARG A 10 112.781 5.823 7.626 1.00 0.00 H new ATOM 0 HA ARG A 10 114.888 5.901 6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.873 3.862 4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 10 114.828 3.614 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 10 112.189 4.052 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 10 112.985 2.510 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.472 2.335 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.127 2.193 7.492 1.00 0.00 H new ATOM 0 HE ARG A 10 111.319 4.525 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.430 2.934 8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.959 4.009 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.013 5.889 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 10 113.604 5.665 10.325 1.00 0.00 H new ATOM 174 N PHE A 11 113.824 5.735 3.619 1.00 0.00 N ATOM 175 CA PHE A 11 113.937 6.361 2.305 1.00 0.00 C ATOM 176 C PHE A 11 112.583 6.326 1.594 1.00 0.00 C ATOM 177 O PHE A 11 111.799 5.396 1.781 1.00 0.00 O ATOM 178 CB PHE A 11 115.000 5.633 1.466 1.00 0.00 C ATOM 179 CG PHE A 11 116.007 6.630 0.934 1.00 0.00 C ATOM 180 CD1 PHE A 11 116.772 7.393 1.826 1.00 0.00 C ATOM 181 CD2 PHE A 11 116.173 6.794 -0.448 1.00 0.00 C ATOM 182 CE1 PHE A 11 117.700 8.319 1.336 1.00 0.00 C ATOM 183 CE2 PHE A 11 117.103 7.721 -0.934 1.00 0.00 C ATOM 184 CZ PHE A 11 117.864 8.481 -0.043 1.00 0.00 C ATOM 0 H PHE A 11 113.341 4.837 3.620 1.00 0.00 H new ATOM 0 HA PHE A 11 114.242 7.400 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 11 115.505 4.882 2.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 114.525 5.106 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.646 7.267 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 11 115.585 6.206 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 11 118.289 8.908 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 11 117.232 7.848 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 11 118.581 9.195 -0.420 1.00 0.00 H new ATOM 194 N HIS A 12 112.314 7.350 0.789 1.00 0.00 N ATOM 195 CA HIS A 12 111.048 7.439 0.061 1.00 0.00 C ATOM 196 C HIS A 12 110.573 6.061 -0.396 1.00 0.00 C ATOM 197 O HIS A 12 111.374 5.141 -0.566 1.00 0.00 O ATOM 198 CB HIS A 12 111.214 8.350 -1.156 1.00 0.00 C ATOM 199 CG HIS A 12 112.221 7.750 -2.099 1.00 0.00 C ATOM 200 ND1 HIS A 12 113.594 7.760 -2.103 1.00 0.00 N flip ATOM 201 CD2 HIS A 12 111.843 7.021 -3.215 1.00 0.00 C flip ATOM 202 CE1 HIS A 12 114.063 7.051 -3.205 1.00 0.00 C flip ATOM 203 NE2 HIS A 12 112.968 6.627 -3.841 1.00 0.00 N flip ATOM 0 H HIS A 12 112.952 8.128 0.623 1.00 0.00 H new ATOM 0 HA HIS A 12 110.299 7.854 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 12 110.257 8.477 -1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 12 111.541 9.341 -0.840 1.00 0.00 H new ATOM 0 HD1 HIS A 12 114.181 8.217 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 12 110.831 6.808 -3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 12 115.092 6.880 -3.486 1.00 0.00 H new ATOM 211 N ARG A 13 109.261 5.929 -0.596 1.00 0.00 N ATOM 212 CA ARG A 13 108.678 4.661 -1.036 1.00 0.00 C ATOM 213 C ARG A 13 108.150 4.785 -2.463 1.00 0.00 C ATOM 214 O ARG A 13 108.297 5.825 -3.104 1.00 0.00 O ATOM 215 CB ARG A 13 107.522 4.239 -0.110 1.00 0.00 C ATOM 216 CG ARG A 13 107.707 4.837 1.292 1.00 0.00 C ATOM 217 CD ARG A 13 106.350 4.903 1.998 1.00 0.00 C ATOM 218 NE ARG A 13 105.625 6.095 1.573 1.00 0.00 N ATOM 219 CZ ARG A 13 104.512 6.479 2.188 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.036 5.774 3.178 1.00 0.00 N ATOM 221 NH2 ARG A 13 103.892 7.560 1.799 1.00 0.00 N ATOM 0 H ARG A 13 108.585 6.681 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 13 109.462 3.904 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.573 4.571 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.479 3.152 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 13 108.402 4.228 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 13 108.141 5.834 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.767 4.011 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.493 4.920 3.078 1.00 0.00 H new ATOM 0 HE ARG A 13 105.979 6.644 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.519 4.928 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.181 6.069 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 104.262 8.109 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 13 103.037 7.855 2.271 1.00 0.00 H new ATOM 235 N ILE A 14 107.524 3.716 -2.945 1.00 0.00 N ATOM 236 CA ILE A 14 106.962 3.704 -4.291 1.00 0.00 C ATOM 237 C ILE A 14 105.518 4.177 -4.266 1.00 0.00 C ATOM 238 O ILE A 14 104.603 3.388 -4.029 1.00 0.00 O ATOM 239 CB ILE A 14 107.010 2.286 -4.861 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.464 1.801 -4.950 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.373 2.265 -6.252 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.310 2.783 -5.768 1.00 0.00 C ATOM 0 H ILE A 14 107.393 2.848 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 14 107.551 4.375 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 14 106.454 1.621 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.881 1.700 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.496 0.813 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.410 1.252 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.335 2.590 -6.182 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.920 2.938 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.337 2.422 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 14 108.902 2.863 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.293 3.763 -5.291 1.00 0.00 H new ATOM 254 N ALA A 15 105.311 5.467 -4.508 1.00 0.00 N ATOM 255 CA ALA A 15 103.959 6.011 -4.507 1.00 0.00 C ATOM 256 C ALA A 15 103.358 5.977 -5.901 1.00 0.00 C ATOM 257 O ALA A 15 103.864 6.601 -6.833 1.00 0.00 O ATOM 258 CB ALA A 15 103.973 7.455 -4.008 1.00 0.00 C ATOM 0 H ALA A 15 106.048 6.145 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 15 103.352 5.395 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.958 7.851 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.371 7.486 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.601 8.060 -4.662 1.00 0.00 H new ATOM 264 N PHE A 16 102.249 5.266 -6.015 1.00 0.00 N ATOM 265 CA PHE A 16 101.524 5.160 -7.268 1.00 0.00 C ATOM 266 C PHE A 16 100.049 4.974 -6.955 1.00 0.00 C ATOM 267 O PHE A 16 99.701 4.556 -5.850 1.00 0.00 O ATOM 268 CB PHE A 16 102.056 3.996 -8.111 1.00 0.00 C ATOM 269 CG PHE A 16 101.656 2.672 -7.500 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.115 2.320 -6.225 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.836 1.790 -8.215 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.753 1.090 -5.665 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.478 0.558 -7.656 1.00 0.00 C ATOM 274 CZ PHE A 16 100.936 0.209 -6.382 1.00 0.00 C ATOM 0 H PHE A 16 101.828 4.748 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 16 101.664 6.070 -7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.666 4.067 -9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.142 4.057 -8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.749 2.998 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.480 2.061 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.104 0.821 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 16 99.848 -0.123 -8.209 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.659 -0.742 -5.951 1.00 0.00 H new ATOM 284 N ASP A 17 99.177 5.283 -7.902 1.00 0.00 N ATOM 285 CA ASP A 17 97.748 5.134 -7.659 1.00 0.00 C ATOM 286 C ASP A 17 97.267 3.788 -8.183 1.00 0.00 C ATOM 287 O ASP A 17 97.748 3.306 -9.209 1.00 0.00 O ATOM 288 CB ASP A 17 96.984 6.261 -8.356 1.00 0.00 C ATOM 289 CG ASP A 17 97.140 6.134 -9.868 1.00 0.00 C ATOM 290 OD1 ASP A 17 96.478 5.285 -10.442 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.921 6.885 -10.430 1.00 0.00 O ATOM 0 H ASP A 17 99.425 5.632 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 17 97.565 5.184 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 17 95.929 6.219 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.360 7.228 -8.022 1.00 0.00 H new ATOM 296 N ALA A 18 96.314 3.189 -7.481 1.00 0.00 N ATOM 297 CA ALA A 18 95.769 1.900 -7.888 1.00 0.00 C ATOM 298 C ALA A 18 94.657 1.486 -6.940 1.00 0.00 C ATOM 299 O ALA A 18 94.384 2.166 -5.951 1.00 0.00 O ATOM 300 CB ALA A 18 96.861 0.828 -7.896 1.00 0.00 C ATOM 0 H ALA A 18 95.903 3.573 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 18 95.370 2.000 -8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.432 -0.126 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.647 1.114 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.283 0.731 -6.896 1.00 0.00 H new ATOM 306 N ASP A 19 94.014 0.370 -7.249 1.00 0.00 N ATOM 307 CA ASP A 19 92.926 -0.120 -6.416 1.00 0.00 C ATOM 308 C ASP A 19 93.430 -1.171 -5.435 1.00 0.00 C ATOM 309 O ASP A 19 94.162 -2.084 -5.818 1.00 0.00 O ATOM 310 CB ASP A 19 91.830 -0.721 -7.302 1.00 0.00 C ATOM 311 CG ASP A 19 91.831 -0.039 -8.667 1.00 0.00 C ATOM 312 OD1 ASP A 19 91.600 1.158 -8.710 1.00 0.00 O ATOM 313 OD2 ASP A 19 92.063 -0.725 -9.649 1.00 0.00 O ATOM 0 H ASP A 19 94.224 -0.209 -8.062 1.00 0.00 H new ATOM 0 HA ASP A 19 92.519 0.716 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.994 -1.792 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 19 90.857 -0.598 -6.825 1.00 0.00 H new ATOM 318 N SER A 20 93.021 -1.051 -4.175 1.00 0.00 N ATOM 319 CA SER A 20 93.423 -2.016 -3.160 1.00 0.00 C ATOM 320 C SER A 20 92.217 -2.437 -2.322 1.00 0.00 C ATOM 321 O SER A 20 91.258 -1.684 -2.166 1.00 0.00 O ATOM 322 CB SER A 20 94.502 -1.419 -2.259 1.00 0.00 C ATOM 323 OG SER A 20 94.118 -0.108 -1.869 1.00 0.00 O ATOM 0 H SER A 20 92.417 -0.302 -3.836 1.00 0.00 H new ATOM 0 HA SER A 20 93.829 -2.896 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.644 -2.046 -1.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.456 -1.389 -2.786 1.00 0.00 H new ATOM 0 HG SER A 20 93.163 0.020 -2.048 1.00 0.00 H new ATOM 329 N GLU A 21 92.282 -3.646 -1.782 1.00 0.00 N ATOM 330 CA GLU A 21 91.204 -4.178 -0.949 1.00 0.00 C ATOM 331 C GLU A 21 91.789 -4.704 0.346 1.00 0.00 C ATOM 332 O GLU A 21 92.867 -5.296 0.345 1.00 0.00 O ATOM 333 CB GLU A 21 90.487 -5.326 -1.671 1.00 0.00 C ATOM 334 CG GLU A 21 89.875 -4.830 -2.990 1.00 0.00 C ATOM 335 CD GLU A 21 88.426 -4.401 -2.775 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.727 -5.084 -2.044 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.036 -3.400 -3.349 1.00 0.00 O ATOM 0 H GLU A 21 93.071 -4.281 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 21 90.489 -3.380 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.191 -6.134 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.705 -5.735 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.456 -3.992 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 21 89.920 -5.620 -3.739 1.00 0.00 H new ATOM 344 N ILE A 22 91.086 -4.495 1.449 1.00 0.00 N ATOM 345 CA ILE A 22 91.581 -4.976 2.734 1.00 0.00 C ATOM 346 C ILE A 22 90.569 -5.912 3.374 1.00 0.00 C ATOM 347 O ILE A 22 89.375 -5.652 3.377 1.00 0.00 O ATOM 348 CB ILE A 22 91.879 -3.793 3.658 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.082 -2.991 3.107 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.166 -4.307 5.073 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.301 -3.118 4.030 1.00 0.00 C ATOM 0 H ILE A 22 90.191 -4.007 1.484 1.00 0.00 H new ATOM 0 HA ILE A 22 92.505 -5.531 2.570 1.00 0.00 H new ATOM 0 HB ILE A 22 91.014 -3.131 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.338 -3.352 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.807 -1.941 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.378 -3.464 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.297 -4.849 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.027 -4.975 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.131 -2.544 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.050 -2.734 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.589 -4.166 4.110 1.00 0.00 H new ATOM 363 N LEU A 23 91.075 -7.019 3.903 1.00 0.00 N ATOM 364 CA LEU A 23 90.238 -8.025 4.536 1.00 0.00 C ATOM 365 C LEU A 23 90.722 -8.326 5.944 1.00 0.00 C ATOM 366 O LEU A 23 91.868 -8.724 6.154 1.00 0.00 O ATOM 367 CB LEU A 23 90.271 -9.319 3.711 1.00 0.00 C ATOM 368 CG LEU A 23 90.492 -8.981 2.231 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.992 -8.961 1.919 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.808 -10.035 1.356 1.00 0.00 C ATOM 0 H LEU A 23 92.070 -7.242 3.905 1.00 0.00 H new ATOM 0 HA LEU A 23 89.221 -7.637 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.069 -9.970 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.335 -9.864 3.834 1.00 0.00 H new ATOM 0 HG LEU A 23 90.067 -7.999 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.142 -8.720 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.482 -8.208 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.421 -9.940 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.966 -9.793 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.231 -11.016 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.739 -10.047 1.569 1.00 0.00 H new ATOM 382 N GLN A 24 89.825 -8.152 6.897 1.00 0.00 N ATOM 383 CA GLN A 24 90.145 -8.428 8.297 1.00 0.00 C ATOM 384 C GLN A 24 89.082 -9.340 8.896 1.00 0.00 C ATOM 385 O GLN A 24 87.984 -8.890 9.225 1.00 0.00 O ATOM 386 CB GLN A 24 90.204 -7.121 9.094 1.00 0.00 C ATOM 387 CG GLN A 24 90.229 -7.433 10.595 1.00 0.00 C ATOM 388 CD GLN A 24 90.769 -6.239 11.377 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.954 -5.521 12.100 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 91.966 -5.959 11.332 1.00 0.00 N flip ATOM 0 H GLN A 24 88.873 -7.823 6.735 1.00 0.00 H new ATOM 0 HA GLN A 24 91.117 -8.919 8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.092 -6.554 8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.341 -6.499 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.224 -7.677 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.851 -8.309 10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 24 92.601 -6.522 10.766 1.00 0.00 H new ATOM 0 HE22 GLN A 24 92.324 -5.164 11.861 1.00 0.00 H new ATOM 399 N GLY A 25 89.398 -10.626 9.020 1.00 0.00 N ATOM 400 CA GLY A 25 88.442 -11.581 9.561 1.00 0.00 C ATOM 401 C GLY A 25 87.444 -11.990 8.486 1.00 0.00 C ATOM 402 O GLY A 25 87.829 -12.410 7.395 1.00 0.00 O ATOM 0 H GLY A 25 90.299 -11.025 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.967 -12.460 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.916 -11.140 10.408 1.00 0.00 H new ATOM 406 N GLU A 26 86.161 -11.857 8.796 1.00 0.00 N ATOM 407 CA GLU A 26 85.108 -12.206 7.848 1.00 0.00 C ATOM 408 C GLU A 26 84.575 -10.952 7.163 1.00 0.00 C ATOM 409 O GLU A 26 83.533 -10.985 6.508 1.00 0.00 O ATOM 410 CB GLU A 26 83.966 -12.910 8.588 1.00 0.00 C ATOM 411 CG GLU A 26 83.159 -11.886 9.391 1.00 0.00 C ATOM 412 CD GLU A 26 82.322 -12.594 10.452 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.799 -13.577 10.995 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.218 -12.142 10.706 1.00 0.00 O ATOM 0 H GLU A 26 85.824 -11.511 9.694 1.00 0.00 H new ATOM 0 HA GLU A 26 85.521 -12.873 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.318 -13.419 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.368 -13.673 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.832 -11.172 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.510 -11.319 8.724 1.00 0.00 H new ATOM 421 N ARG A 27 85.281 -9.840 7.348 1.00 0.00 N ATOM 422 CA ARG A 27 84.862 -8.566 6.778 1.00 0.00 C ATOM 423 C ARG A 27 85.821 -8.066 5.705 1.00 0.00 C ATOM 424 O ARG A 27 87.040 -8.096 5.880 1.00 0.00 O ATOM 425 CB ARG A 27 84.794 -7.536 7.897 1.00 0.00 C ATOM 426 CG ARG A 27 83.582 -7.837 8.785 1.00 0.00 C ATOM 427 CD ARG A 27 83.836 -7.297 10.185 1.00 0.00 C ATOM 428 NE ARG A 27 82.653 -7.481 11.020 1.00 0.00 N ATOM 429 CZ ARG A 27 82.751 -7.593 12.341 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.920 -7.529 12.918 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.678 -7.769 13.063 1.00 0.00 N ATOM 0 H ARG A 27 86.145 -9.797 7.888 1.00 0.00 H new ATOM 0 HA ARG A 27 83.890 -8.711 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.709 -7.563 8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.714 -6.532 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.686 -7.380 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.404 -8.912 8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.688 -7.810 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.092 -6.239 10.133 1.00 0.00 H new ATOM 0 HE ARG A 27 81.733 -7.524 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 27 84.760 -7.393 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 27 83.994 -7.615 13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.764 -7.821 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.754 -7.855 14.077 1.00 0.00 H new ATOM 445 N ARG A 28 85.259 -7.602 4.596 1.00 0.00 N ATOM 446 CA ARG A 28 86.059 -7.083 3.486 1.00 0.00 C ATOM 447 C ARG A 28 85.556 -5.714 3.062 1.00 0.00 C ATOM 448 O ARG A 28 84.376 -5.395 3.214 1.00 0.00 O ATOM 449 CB ARG A 28 85.989 -8.049 2.297 1.00 0.00 C ATOM 450 CG ARG A 28 86.861 -7.520 1.150 1.00 0.00 C ATOM 451 CD ARG A 28 86.828 -8.501 -0.027 1.00 0.00 C ATOM 452 NE ARG A 28 88.055 -8.392 -0.812 1.00 0.00 N ATOM 453 CZ ARG A 28 88.435 -9.369 -1.629 1.00 0.00 C ATOM 454 NH1 ARG A 28 87.721 -10.457 -1.721 1.00 0.00 N ATOM 455 NH2 ARG A 28 89.525 -9.241 -2.334 1.00 0.00 N ATOM 0 H ARG A 28 84.252 -7.573 4.438 1.00 0.00 H new ATOM 0 HA ARG A 28 87.093 -6.990 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.330 -9.039 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.957 -8.156 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.501 -6.542 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.887 -7.386 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.714 -9.520 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.964 -8.293 -0.659 1.00 0.00 H new ATOM 0 HE ARG A 28 88.629 -7.553 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.871 -10.558 -1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 28 88.013 -11.207 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 28 90.085 -8.392 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.818 -9.990 -2.961 1.00 0.00 H new ATOM 469 N TRP A 29 86.468 -4.900 2.549 1.00 0.00 N ATOM 470 CA TRP A 29 86.138 -3.551 2.121 1.00 0.00 C ATOM 471 C TRP A 29 87.026 -3.123 0.954 1.00 0.00 C ATOM 472 O TRP A 29 88.128 -3.641 0.775 1.00 0.00 O ATOM 473 CB TRP A 29 86.378 -2.589 3.275 1.00 0.00 C ATOM 474 CG TRP A 29 85.559 -2.975 4.459 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.217 -2.861 4.556 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.019 -3.522 5.723 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.822 -3.300 5.809 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.903 -3.720 6.565 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.292 -3.861 6.210 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.046 -4.237 7.854 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.443 -4.382 7.502 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.322 -4.570 8.325 1.00 0.00 C ATOM 0 H TRP A 29 87.447 -5.154 2.419 1.00 0.00 H new ATOM 0 HA TRP A 29 85.094 -3.534 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.435 -2.589 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.127 -1.574 2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.560 -2.489 3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.855 -3.312 6.134 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.161 -3.719 5.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.179 -4.379 8.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.427 -4.640 7.866 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.443 -4.971 9.320 1.00 0.00 H new ATOM 493 N GLU A 30 86.539 -2.164 0.173 1.00 0.00 N ATOM 494 CA GLU A 30 87.295 -1.656 -0.965 1.00 0.00 C ATOM 495 C GLU A 30 87.967 -0.337 -0.598 1.00 0.00 C ATOM 496 O GLU A 30 87.338 0.534 0.004 1.00 0.00 O ATOM 497 CB GLU A 30 86.350 -1.435 -2.150 1.00 0.00 C ATOM 498 CG GLU A 30 85.369 -2.605 -2.245 1.00 0.00 C ATOM 499 CD GLU A 30 84.544 -2.490 -3.523 1.00 0.00 C ATOM 500 OE1 GLU A 30 85.071 -2.816 -4.575 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.399 -2.081 -3.432 1.00 0.00 O ATOM 0 H GLU A 30 85.628 -1.725 0.307 1.00 0.00 H new ATOM 0 HA GLU A 30 88.060 -2.383 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.805 -0.499 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.922 -1.350 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.914 -3.549 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.711 -2.610 -1.376 1.00 0.00 H new ATOM 508 N VAL A 31 89.239 -0.184 -0.949 1.00 0.00 N ATOM 509 CA VAL A 31 89.957 1.045 -0.628 1.00 0.00 C ATOM 510 C VAL A 31 90.966 1.397 -1.715 1.00 0.00 C ATOM 511 O VAL A 31 91.418 0.534 -2.466 1.00 0.00 O ATOM 512 CB VAL A 31 90.698 0.882 0.702 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.690 0.804 1.848 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.532 -0.402 0.670 1.00 0.00 C ATOM 0 H VAL A 31 89.788 -0.884 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 31 89.225 1.849 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 31 91.354 1.739 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.221 0.688 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.098 1.719 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.031 -0.051 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.059 -0.517 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.876 -1.258 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.255 -0.346 -0.143 1.00 0.00 H new ATOM 524 N LEU A 32 91.334 2.670 -1.769 1.00 0.00 N ATOM 525 CA LEU A 32 92.316 3.139 -2.738 1.00 0.00 C ATOM 526 C LEU A 32 93.682 3.198 -2.070 1.00 0.00 C ATOM 527 O LEU A 32 93.825 3.758 -0.981 1.00 0.00 O ATOM 528 CB LEU A 32 91.928 4.527 -3.281 1.00 0.00 C ATOM 529 CG LEU A 32 92.070 5.602 -2.194 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.657 6.957 -2.771 1.00 0.00 C ATOM 531 CD2 LEU A 32 91.166 5.269 -1.003 1.00 0.00 C ATOM 0 H LEU A 32 90.968 3.396 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 32 92.348 2.447 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.561 4.779 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 32 90.900 4.505 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 32 93.107 5.636 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.756 7.725 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.300 7.204 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.621 6.909 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 91.274 6.038 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 90.128 5.230 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 91.451 4.302 -0.589 1.00 0.00 H new ATOM 543 N LEU A 33 94.689 2.617 -2.712 1.00 0.00 N ATOM 544 CA LEU A 33 96.029 2.626 -2.143 1.00 0.00 C ATOM 545 C LEU A 33 96.806 3.813 -2.681 1.00 0.00 C ATOM 546 O LEU A 33 96.885 4.030 -3.890 1.00 0.00 O ATOM 547 CB LEU A 33 96.762 1.316 -2.467 1.00 0.00 C ATOM 548 CG LEU A 33 98.273 1.458 -2.182 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.794 0.191 -1.497 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.027 1.661 -3.503 1.00 0.00 C ATOM 0 H LEU A 33 94.606 2.142 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 33 95.951 2.713 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.348 0.503 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.606 1.054 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 33 98.433 2.316 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.861 0.297 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.263 0.041 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.630 -0.668 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.094 1.761 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.860 0.802 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.664 2.564 -3.994 1.00 0.00 H new ATOM 562 N HIS A 34 97.349 4.598 -1.765 1.00 0.00 N ATOM 563 CA HIS A 34 98.091 5.791 -2.139 1.00 0.00 C ATOM 564 C HIS A 34 99.587 5.510 -2.287 1.00 0.00 C ATOM 565 O HIS A 34 100.256 6.189 -3.064 1.00 0.00 O ATOM 566 CB HIS A 34 97.842 6.877 -1.103 1.00 0.00 C ATOM 567 CG HIS A 34 96.423 7.358 -1.206 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.094 8.604 -1.716 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.232 6.771 -0.855 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.756 8.725 -1.656 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.182 7.636 -1.139 1.00 0.00 N ATOM 0 H HIS A 34 97.290 4.432 -0.760 1.00 0.00 H new ATOM 0 HA HIS A 34 97.739 6.128 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 34 98.033 6.489 -0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.530 7.708 -1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.747 9.302 -2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.127 5.786 -0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.212 9.597 -1.986 1.00 0.00 H new ATOM 579 N ASP A 35 100.113 4.499 -1.601 1.00 0.00 N ATOM 580 CA ASP A 35 101.535 4.176 -1.765 1.00 0.00 C ATOM 581 C ASP A 35 101.901 2.907 -1.005 1.00 0.00 C ATOM 582 O ASP A 35 101.193 2.487 -0.091 1.00 0.00 O ATOM 583 CB ASP A 35 102.424 5.342 -1.315 1.00 0.00 C ATOM 584 CG ASP A 35 102.382 5.471 0.204 1.00 0.00 C ATOM 585 OD1 ASP A 35 103.023 4.671 0.865 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.710 6.370 0.684 1.00 0.00 O ATOM 0 H ASP A 35 99.602 3.906 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 35 101.710 4.003 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.449 5.178 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.084 6.269 -1.777 1.00 0.00 H new ATOM 591 N VAL A 36 103.013 2.292 -1.410 1.00 0.00 N ATOM 592 CA VAL A 36 103.473 1.056 -0.783 1.00 0.00 C ATOM 593 C VAL A 36 104.996 1.030 -0.687 1.00 0.00 C ATOM 594 O VAL A 36 105.687 1.848 -1.294 1.00 0.00 O ATOM 595 CB VAL A 36 102.978 -0.151 -1.592 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.792 -0.277 -2.882 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.131 -1.434 -0.770 1.00 0.00 C ATOM 0 H VAL A 36 103.608 2.629 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 36 103.066 1.007 0.227 1.00 0.00 H new ATOM 0 HB VAL A 36 101.926 -0.003 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.438 -1.135 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.674 0.629 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.845 -0.415 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.777 -2.284 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.181 -1.580 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.544 -1.352 0.145 1.00 0.00 H new ATOM 607 N SER A 37 105.504 0.063 0.069 1.00 0.00 N ATOM 608 CA SER A 37 106.936 -0.121 0.251 1.00 0.00 C ATOM 609 C SER A 37 107.214 -1.618 0.291 1.00 0.00 C ATOM 610 O SER A 37 106.277 -2.415 0.370 1.00 0.00 O ATOM 611 CB SER A 37 107.397 0.530 1.555 1.00 0.00 C ATOM 612 OG SER A 37 108.815 0.478 1.631 1.00 0.00 O ATOM 0 H SER A 37 104.932 -0.615 0.573 1.00 0.00 H new ATOM 0 HA SER A 37 107.480 0.347 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.057 1.565 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.957 0.014 2.408 1.00 0.00 H new ATOM 0 HG SER A 37 109.113 0.896 2.465 1.00 0.00 H new ATOM 618 N LEU A 38 108.477 -2.017 0.230 1.00 0.00 N ATOM 619 CA LEU A 38 108.785 -3.442 0.253 1.00 0.00 C ATOM 620 C LEU A 38 108.414 -4.059 1.600 1.00 0.00 C ATOM 621 O LEU A 38 108.583 -5.262 1.804 1.00 0.00 O ATOM 622 CB LEU A 38 110.269 -3.679 -0.041 1.00 0.00 C ATOM 623 CG LEU A 38 110.582 -3.295 -1.493 1.00 0.00 C ATOM 624 CD1 LEU A 38 112.098 -3.290 -1.698 1.00 0.00 C ATOM 625 CD2 LEU A 38 109.941 -4.307 -2.454 1.00 0.00 C ATOM 0 H LEU A 38 109.284 -1.396 0.166 1.00 0.00 H new ATOM 0 HA LEU A 38 108.192 -3.924 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.882 -3.089 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.520 -4.726 0.129 1.00 0.00 H new ATOM 0 HG LEU A 38 110.178 -2.304 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 38 112.325 -3.018 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 38 112.554 -2.566 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.497 -4.283 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 110.168 -4.027 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 38 110.338 -5.302 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 108.861 -4.312 -2.310 1.00 0.00 H new ATOM 637 N HIS A 39 107.912 -3.238 2.522 1.00 0.00 N ATOM 638 CA HIS A 39 107.531 -3.737 3.842 1.00 0.00 C ATOM 639 C HIS A 39 106.582 -2.765 4.548 1.00 0.00 C ATOM 640 O HIS A 39 106.682 -2.558 5.758 1.00 0.00 O ATOM 641 CB HIS A 39 108.787 -3.945 4.698 1.00 0.00 C ATOM 642 CG HIS A 39 108.553 -5.056 5.685 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.905 -6.369 5.417 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.007 -5.066 6.945 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.570 -7.108 6.489 1.00 0.00 C ATOM 646 NE2 HIS A 39 108.018 -6.363 7.450 1.00 0.00 N ATOM 0 H HIS A 39 107.761 -2.239 2.383 1.00 0.00 H new ATOM 0 HA HIS A 39 107.012 -4.687 3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.637 -4.186 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.035 -3.024 5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.627 -4.199 7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 39 108.728 -8.174 6.564 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.678 -6.677 8.359 1.00 0.00 H new ATOM 654 N GLY A 40 105.662 -2.173 3.789 1.00 0.00 N ATOM 655 CA GLY A 40 104.705 -1.230 4.362 1.00 0.00 C ATOM 656 C GLY A 40 103.695 -0.772 3.312 1.00 0.00 C ATOM 657 O GLY A 40 103.975 -0.813 2.118 1.00 0.00 O ATOM 0 H GLY A 40 105.559 -2.327 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.182 -1.698 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.235 -0.366 4.763 1.00 0.00 H new ATOM 661 N ILE A 41 102.510 -0.359 3.760 1.00 0.00 N ATOM 662 CA ILE A 41 101.461 0.078 2.834 1.00 0.00 C ATOM 663 C ILE A 41 100.583 1.171 3.445 1.00 0.00 C ATOM 664 O ILE A 41 100.351 1.206 4.652 1.00 0.00 O ATOM 665 CB ILE A 41 100.597 -1.135 2.426 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.101 -0.789 2.502 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.891 -2.309 3.360 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.277 -1.947 1.935 1.00 0.00 C ATOM 0 H ILE A 41 102.252 -0.317 4.746 1.00 0.00 H new ATOM 0 HA ILE A 41 101.942 0.502 1.952 1.00 0.00 H new ATOM 0 HB ILE A 41 100.843 -1.405 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.814 -0.597 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.899 0.123 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.281 -3.165 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.946 -2.575 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.656 -2.025 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.217 -1.700 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.557 -2.118 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.470 -2.849 2.515 1.00 0.00 H new ATOM 680 N LEU A 42 100.082 2.049 2.572 1.00 0.00 N ATOM 681 CA LEU A 42 99.202 3.144 2.979 1.00 0.00 C ATOM 682 C LEU A 42 97.882 3.032 2.221 1.00 0.00 C ATOM 683 O LEU A 42 97.870 2.687 1.039 1.00 0.00 O ATOM 684 CB LEU A 42 99.854 4.499 2.661 1.00 0.00 C ATOM 685 CG LEU A 42 99.437 5.554 3.695 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.374 6.761 3.596 1.00 0.00 C ATOM 687 CD2 LEU A 42 97.998 6.012 3.428 1.00 0.00 C ATOM 0 H LEU A 42 100.274 2.020 1.571 1.00 0.00 H new ATOM 0 HA LEU A 42 99.026 3.079 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.939 4.395 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.561 4.824 1.663 1.00 0.00 H new ATOM 0 HG LEU A 42 99.497 5.117 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.079 7.511 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.398 6.444 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.312 7.188 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.711 6.760 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.933 6.444 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.325 5.157 3.498 1.00 0.00 H new ATOM 699 N VAL A 43 96.777 3.311 2.895 1.00 0.00 N ATOM 700 CA VAL A 43 95.470 3.220 2.249 1.00 0.00 C ATOM 701 C VAL A 43 94.507 4.287 2.772 1.00 0.00 C ATOM 702 O VAL A 43 94.819 5.021 3.710 1.00 0.00 O ATOM 703 CB VAL A 43 94.876 1.830 2.473 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.848 0.772 1.951 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.639 1.614 3.967 1.00 0.00 C ATOM 0 H VAL A 43 96.754 3.598 3.873 1.00 0.00 H new ATOM 0 HA VAL A 43 95.612 3.392 1.182 1.00 0.00 H new ATOM 0 HB VAL A 43 93.929 1.747 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.426 -0.220 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 43 96.017 0.928 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.795 0.853 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.215 0.623 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.586 1.695 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.947 2.370 4.339 1.00 0.00 H new ATOM 715 N GLY A 44 93.327 4.342 2.158 1.00 0.00 N ATOM 716 CA GLY A 44 92.287 5.297 2.563 1.00 0.00 C ATOM 717 C GLY A 44 91.277 4.610 3.482 1.00 0.00 C ATOM 718 O GLY A 44 91.017 3.418 3.325 1.00 0.00 O ATOM 0 H GLY A 44 93.063 3.739 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.740 6.145 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.780 5.691 1.682 1.00 0.00 H new ATOM 722 N GLN A 45 90.725 5.337 4.462 1.00 0.00 N ATOM 723 CA GLN A 45 89.774 4.741 5.400 1.00 0.00 C ATOM 724 C GLN A 45 88.339 4.808 4.875 1.00 0.00 C ATOM 725 O GLN A 45 87.784 5.901 4.759 1.00 0.00 O ATOM 726 CB GLN A 45 89.829 5.523 6.719 1.00 0.00 C ATOM 727 CG GLN A 45 89.032 4.785 7.811 1.00 0.00 C ATOM 728 CD GLN A 45 87.678 5.456 8.027 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.061 5.936 7.076 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.175 5.519 9.232 1.00 0.00 N ATOM 0 H GLN A 45 90.919 6.325 4.622 1.00 0.00 H new ATOM 0 HA GLN A 45 90.049 3.695 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.865 5.645 7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.421 6.523 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.887 3.744 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.597 4.783 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.687 5.121 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.271 5.966 9.385 1.00 0.00 H new ATOM 739 N PRO A 46 87.714 3.703 4.574 1.00 0.00 N ATOM 740 CA PRO A 46 86.314 3.710 4.084 1.00 0.00 C ATOM 741 C PRO A 46 85.318 3.731 5.247 1.00 0.00 C ATOM 742 O PRO A 46 85.682 3.456 6.390 1.00 0.00 O ATOM 743 CB PRO A 46 86.228 2.417 3.285 1.00 0.00 C ATOM 744 CG PRO A 46 87.139 1.477 4.018 1.00 0.00 C ATOM 745 CD PRO A 46 88.248 2.340 4.650 1.00 0.00 C ATOM 0 HA PRO A 46 86.066 4.591 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.207 2.037 3.249 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.550 2.563 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.593 0.927 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.563 0.739 3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.447 2.045 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.187 2.247 4.105 1.00 0.00 H new ATOM 753 N GLN A 47 84.070 4.079 4.953 1.00 0.00 N ATOM 754 CA GLN A 47 83.041 4.153 5.987 1.00 0.00 C ATOM 755 C GLN A 47 82.740 2.776 6.591 1.00 0.00 C ATOM 756 O GLN A 47 82.536 2.652 7.799 1.00 0.00 O ATOM 757 CB GLN A 47 81.759 4.748 5.385 1.00 0.00 C ATOM 758 CG GLN A 47 81.239 5.887 6.268 1.00 0.00 C ATOM 759 CD GLN A 47 82.073 7.143 6.042 1.00 0.00 C ATOM 760 OE1 GLN A 47 83.235 7.258 6.623 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 81.654 8.045 5.316 1.00 0.00 N flip ATOM 0 H GLN A 47 83.747 4.313 4.014 1.00 0.00 H new ATOM 0 HA GLN A 47 83.412 4.791 6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.959 5.119 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.998 3.973 5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 47 80.193 6.089 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.284 5.595 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 47 80.745 7.954 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 47 82.216 8.883 5.168 1.00 0.00 H new ATOM 770 N ASP A 48 82.693 1.754 5.743 1.00 0.00 N ATOM 771 CA ASP A 48 82.389 0.396 6.198 1.00 0.00 C ATOM 772 C ASP A 48 83.541 -0.208 7.003 1.00 0.00 C ATOM 773 O ASP A 48 83.525 -1.398 7.319 1.00 0.00 O ATOM 774 CB ASP A 48 82.092 -0.494 4.991 1.00 0.00 C ATOM 775 CG ASP A 48 80.730 -0.141 4.402 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.896 0.358 5.140 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.539 -0.378 3.220 1.00 0.00 O ATOM 0 H ASP A 48 82.860 1.836 4.740 1.00 0.00 H new ATOM 0 HA ASP A 48 81.518 0.452 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.868 -0.367 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.107 -1.542 5.290 1.00 0.00 H new ATOM 782 N TRP A 49 84.539 0.604 7.324 1.00 0.00 N ATOM 783 CA TRP A 49 85.690 0.119 8.084 1.00 0.00 C ATOM 784 C TRP A 49 85.286 -0.393 9.459 1.00 0.00 C ATOM 785 O TRP A 49 85.659 0.191 10.475 1.00 0.00 O ATOM 786 CB TRP A 49 86.703 1.242 8.266 1.00 0.00 C ATOM 787 CG TRP A 49 87.970 0.696 8.851 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.282 0.695 10.165 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.077 0.079 8.159 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.541 0.125 10.328 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.079 -0.261 9.106 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.304 -0.202 6.806 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.275 -0.865 8.691 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.492 -0.806 6.395 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.475 -1.129 7.331 1.00 0.00 C ATOM 0 H TRP A 49 84.578 1.592 7.075 1.00 0.00 H new ATOM 0 HA TRP A 49 86.126 -0.704 7.518 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.910 1.716 7.306 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.292 2.012 8.920 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.657 1.075 10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.008 0.006 11.227 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.552 0.051 6.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.034 -1.124 9.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.651 -1.024 5.349 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.397 -1.586 7.004 1.00 0.00 H new ATOM 806 N ASN A 50 84.547 -1.491 9.502 1.00 0.00 N ATOM 807 CA ASN A 50 84.148 -2.058 10.787 1.00 0.00 C ATOM 808 C ASN A 50 85.165 -3.114 11.212 1.00 0.00 C ATOM 809 O ASN A 50 84.929 -4.312 11.062 1.00 0.00 O ATOM 810 CB ASN A 50 82.746 -2.666 10.701 1.00 0.00 C ATOM 811 CG ASN A 50 82.471 -3.548 11.916 1.00 0.00 C ATOM 812 OD1 ASN A 50 83.258 -3.478 12.956 1.00 0.00 O flip ATOM 813 ND2 ASN A 50 81.515 -4.323 11.918 1.00 0.00 N flip ATOM 0 H ASN A 50 84.216 -2.000 8.683 1.00 0.00 H new ATOM 0 HA ASN A 50 84.121 -1.264 11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.002 -1.872 10.645 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.654 -3.255 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 50 80.901 -4.377 11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 50 81.337 -4.911 12.732 1.00 0.00 H new ATOM 820 N GLY A 51 86.300 -2.660 11.736 1.00 0.00 N ATOM 821 CA GLY A 51 87.352 -3.575 12.171 1.00 0.00 C ATOM 822 C GLY A 51 88.033 -3.071 13.437 1.00 0.00 C ATOM 823 O GLY A 51 87.975 -1.885 13.761 1.00 0.00 O ATOM 0 H GLY A 51 86.515 -1.672 11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.927 -4.562 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.091 -3.687 11.378 1.00 0.00 H new ATOM 827 N ASP A 52 88.682 -3.987 14.149 1.00 0.00 N ATOM 828 CA ASP A 52 89.381 -3.644 15.382 1.00 0.00 C ATOM 829 C ASP A 52 90.853 -3.325 15.089 1.00 0.00 C ATOM 830 O ASP A 52 91.574 -4.161 14.544 1.00 0.00 O ATOM 831 CB ASP A 52 89.287 -4.815 16.366 1.00 0.00 C ATOM 832 CG ASP A 52 90.255 -4.617 17.529 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.749 -3.514 17.684 1.00 0.00 O ATOM 834 OD2 ASP A 52 90.486 -5.576 18.249 1.00 0.00 O ATOM 0 H ASP A 52 88.738 -4.973 13.893 1.00 0.00 H new ATOM 0 HA ASP A 52 88.915 -2.762 15.821 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.268 -4.899 16.744 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.514 -5.749 15.852 1.00 0.00 H new ATOM 839 N PRO A 53 91.311 -2.139 15.428 1.00 0.00 N ATOM 840 CA PRO A 53 92.725 -1.723 15.178 1.00 0.00 C ATOM 841 C PRO A 53 93.720 -2.610 15.911 1.00 0.00 C ATOM 842 O PRO A 53 94.889 -2.691 15.534 1.00 0.00 O ATOM 843 CB PRO A 53 92.795 -0.271 15.674 1.00 0.00 C ATOM 844 CG PRO A 53 91.615 -0.092 16.574 1.00 0.00 C ATOM 845 CD PRO A 53 90.544 -1.067 16.091 1.00 0.00 C ATOM 0 HA PRO A 53 92.992 -1.814 14.125 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.727 -0.085 16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.761 0.430 14.840 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.884 -0.295 17.610 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.250 0.934 16.535 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.953 -1.454 16.921 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.850 -0.588 15.401 1.00 0.00 H new ATOM 853 N GLN A 54 93.255 -3.265 16.964 1.00 0.00 N ATOM 854 CA GLN A 54 94.126 -4.130 17.740 1.00 0.00 C ATOM 855 C GLN A 54 94.354 -5.462 17.029 1.00 0.00 C ATOM 856 O GLN A 54 95.320 -6.168 17.316 1.00 0.00 O ATOM 857 CB GLN A 54 93.529 -4.380 19.126 1.00 0.00 C ATOM 858 CG GLN A 54 93.355 -3.048 19.858 1.00 0.00 C ATOM 859 CD GLN A 54 93.133 -3.296 21.346 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.858 -4.502 21.762 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 93.211 -2.368 22.150 1.00 0.00 N flip ATOM 0 H GLN A 54 92.292 -3.215 17.297 1.00 0.00 H new ATOM 0 HA GLN A 54 95.087 -3.627 17.847 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.567 -4.884 19.033 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.180 -5.039 19.700 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.238 -2.426 19.712 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.508 -2.503 19.441 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.426 -1.426 21.823 1.00 0.00 H new ATOM 0 HE22 GLN A 54 93.061 -2.540 23.144 1.00 0.00 H new ATOM 870 N ARG A 55 93.464 -5.805 16.099 1.00 0.00 N ATOM 871 CA ARG A 55 93.594 -7.060 15.360 1.00 0.00 C ATOM 872 C ARG A 55 94.256 -6.809 14.003 1.00 0.00 C ATOM 873 O ARG A 55 94.243 -5.690 13.495 1.00 0.00 O ATOM 874 CB ARG A 55 92.209 -7.703 15.170 1.00 0.00 C ATOM 875 CG ARG A 55 92.010 -8.863 16.168 1.00 0.00 C ATOM 876 CD ARG A 55 90.655 -8.720 16.870 1.00 0.00 C ATOM 877 NE ARG A 55 90.306 -9.967 17.543 1.00 0.00 N ATOM 878 CZ ARG A 55 91.021 -10.418 18.571 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.039 -9.731 19.013 1.00 0.00 N ATOM 880 NH2 ARG A 55 90.698 -11.546 19.143 1.00 0.00 N ATOM 0 H ARG A 55 92.655 -5.240 15.841 1.00 0.00 H new ATOM 0 HA ARG A 55 94.223 -7.743 15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.431 -6.954 15.315 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.110 -8.073 14.149 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.059 -9.818 15.644 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.813 -8.862 16.905 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.695 -7.906 17.594 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.885 -8.462 16.143 1.00 0.00 H new ATOM 0 HE ARG A 55 89.500 -10.502 17.220 1.00 0.00 H new ATOM 0 HH11 ARG A 55 92.288 -8.846 18.570 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.585 -10.079 19.801 1.00 0.00 H new ATOM 0 HH21 ARG A 55 89.899 -12.080 18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 55 91.245 -11.893 19.931 1.00 0.00 H new ATOM 894 N PRO A 56 94.849 -7.824 13.429 1.00 0.00 N ATOM 895 CA PRO A 56 95.558 -7.715 12.117 1.00 0.00 C ATOM 896 C PRO A 56 94.613 -7.508 10.935 1.00 0.00 C ATOM 897 O PRO A 56 93.417 -7.788 11.015 1.00 0.00 O ATOM 898 CB PRO A 56 96.317 -9.040 11.999 1.00 0.00 C ATOM 899 CG PRO A 56 95.541 -10.007 12.832 1.00 0.00 C ATOM 900 CD PRO A 56 94.913 -9.195 13.966 1.00 0.00 C ATOM 0 HA PRO A 56 96.209 -6.841 12.088 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.375 -9.370 10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.341 -8.942 12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.773 -10.502 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.191 -10.788 13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.922 -9.569 14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.517 -9.241 14.872 1.00 0.00 H new ATOM 908 N PHE A 57 95.183 -7.019 9.837 1.00 0.00 N ATOM 909 CA PHE A 57 94.431 -6.767 8.612 1.00 0.00 C ATOM 910 C PHE A 57 95.180 -7.382 7.428 1.00 0.00 C ATOM 911 O PHE A 57 96.399 -7.541 7.490 1.00 0.00 O ATOM 912 CB PHE A 57 94.317 -5.254 8.379 1.00 0.00 C ATOM 913 CG PHE A 57 93.582 -4.596 9.528 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.240 -4.365 10.743 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.245 -4.207 9.375 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.559 -3.747 11.801 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.567 -3.590 10.431 1.00 0.00 C ATOM 918 CZ PHE A 57 92.222 -3.359 11.644 1.00 0.00 C ATOM 0 H PHE A 57 96.174 -6.787 9.771 1.00 0.00 H new ATOM 0 HA PHE A 57 93.437 -7.206 8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.312 -4.819 8.279 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.790 -5.062 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.271 -4.663 10.864 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.736 -4.384 8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.066 -3.570 12.738 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.536 -3.292 10.309 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.698 -2.882 12.459 1.00 0.00 H new ATOM 928 N GLU A 58 94.473 -7.702 6.346 1.00 0.00 N ATOM 929 CA GLU A 58 95.136 -8.265 5.165 1.00 0.00 C ATOM 930 C GLU A 58 94.872 -7.366 3.968 1.00 0.00 C ATOM 931 O GLU A 58 93.765 -6.869 3.807 1.00 0.00 O ATOM 932 CB GLU A 58 94.630 -9.682 4.881 1.00 0.00 C ATOM 933 CG GLU A 58 94.645 -10.503 6.172 1.00 0.00 C ATOM 934 CD GLU A 58 94.031 -11.877 5.923 1.00 0.00 C ATOM 935 OE1 GLU A 58 92.990 -11.932 5.289 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.610 -12.853 6.371 1.00 0.00 O ATOM 0 H GLU A 58 93.463 -7.586 6.259 1.00 0.00 H new ATOM 0 HA GLU A 58 96.208 -8.321 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.619 -9.643 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.258 -10.159 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.668 -10.612 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.088 -9.982 6.951 1.00 0.00 H new ATOM 943 N ALA A 59 95.885 -7.118 3.146 1.00 0.00 N ATOM 944 CA ALA A 59 95.720 -6.234 1.998 1.00 0.00 C ATOM 945 C ALA A 59 95.999 -6.947 0.688 1.00 0.00 C ATOM 946 O ALA A 59 96.975 -7.687 0.561 1.00 0.00 O ATOM 947 CB ALA A 59 96.702 -5.069 2.119 1.00 0.00 C ATOM 0 H ALA A 59 96.820 -7.512 3.251 1.00 0.00 H new ATOM 0 HA ALA A 59 94.686 -5.889 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.584 -4.404 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.501 -4.518 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.722 -5.454 2.142 1.00 0.00 H new ATOM 953 N ARG A 60 95.156 -6.677 -0.298 1.00 0.00 N ATOM 954 CA ARG A 60 95.330 -7.247 -1.622 1.00 0.00 C ATOM 955 C ARG A 60 95.411 -6.110 -2.627 1.00 0.00 C ATOM 956 O ARG A 60 94.548 -5.231 -2.645 1.00 0.00 O ATOM 957 CB ARG A 60 94.140 -8.148 -1.964 1.00 0.00 C ATOM 958 CG ARG A 60 94.224 -9.455 -1.158 1.00 0.00 C ATOM 959 CD ARG A 60 94.539 -10.622 -2.098 1.00 0.00 C ATOM 960 NE ARG A 60 93.567 -10.669 -3.185 1.00 0.00 N ATOM 961 CZ ARG A 60 92.301 -11.006 -2.962 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.909 -11.303 -1.753 1.00 0.00 N ATOM 963 NH2 ARG A 60 91.451 -11.037 -3.951 1.00 0.00 N ATOM 0 H ARG A 60 94.345 -6.066 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 60 96.242 -7.844 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.206 -7.632 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.135 -8.369 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.996 -9.373 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.282 -9.636 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.544 -10.511 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.521 -11.560 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 60 93.864 -10.439 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.574 -11.276 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.937 -11.562 -1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 60 91.758 -10.803 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 60 90.479 -11.296 -3.780 1.00 0.00 H new ATOM 977 N LEU A 61 96.452 -6.106 -3.451 1.00 0.00 N ATOM 978 CA LEU A 61 96.622 -5.040 -4.433 1.00 0.00 C ATOM 979 C LEU A 61 96.326 -5.545 -5.836 1.00 0.00 C ATOM 980 O LEU A 61 96.539 -6.718 -6.144 1.00 0.00 O ATOM 981 CB LEU A 61 98.051 -4.492 -4.369 1.00 0.00 C ATOM 982 CG LEU A 61 98.493 -4.376 -2.908 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.936 -3.871 -2.847 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.584 -3.385 -2.179 1.00 0.00 C ATOM 0 H LEU A 61 97.182 -6.818 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 61 95.918 -4.242 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.728 -5.151 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.099 -3.516 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 61 98.428 -5.355 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.249 -3.789 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.589 -4.571 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 61 99.999 -2.893 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.897 -3.301 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.652 -2.408 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.554 -3.738 -2.220 1.00 0.00 H new ATOM 996 N TYR A 62 95.827 -4.651 -6.682 1.00 0.00 N ATOM 997 CA TYR A 62 95.495 -5.009 -8.054 1.00 0.00 C ATOM 998 C TYR A 62 96.021 -3.959 -9.028 1.00 0.00 C ATOM 999 O TYR A 62 95.536 -2.823 -9.060 1.00 0.00 O ATOM 1000 CB TYR A 62 93.978 -5.131 -8.204 1.00 0.00 C ATOM 1001 CG TYR A 62 93.413 -5.891 -7.026 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.060 -5.207 -5.856 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.244 -7.278 -7.102 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.540 -5.911 -4.762 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.722 -7.981 -6.009 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.371 -7.297 -4.839 1.00 0.00 C ATOM 1007 OH TYR A 62 91.861 -7.992 -3.761 1.00 0.00 O ATOM 0 H TYR A 62 95.644 -3.677 -6.442 1.00 0.00 H new ATOM 0 HA TYR A 62 95.964 -5.965 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.527 -4.140 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.734 -5.646 -9.133 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.189 -4.136 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.516 -7.806 -8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.270 -5.383 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.590 -9.051 -6.069 1.00 0.00 H new ATOM 0 HH TYR A 62 91.107 -8.545 -4.055 1.00 0.00 H new ATOM 1017 N LEU A 63 97.014 -4.353 -9.826 1.00 0.00 N ATOM 1018 CA LEU A 63 97.604 -3.452 -10.815 1.00 0.00 C ATOM 1019 C LEU A 63 97.134 -3.850 -12.211 1.00 0.00 C ATOM 1020 O LEU A 63 96.166 -3.294 -12.732 1.00 0.00 O ATOM 1021 CB LEU A 63 99.137 -3.516 -10.734 1.00 0.00 C ATOM 1022 CG LEU A 63 99.744 -2.234 -11.318 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.271 -2.293 -11.207 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.343 -2.096 -12.792 1.00 0.00 C ATOM 0 H LEU A 63 97.425 -5.286 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 63 97.286 -2.430 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.450 -3.638 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.503 -4.384 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 63 99.372 -1.374 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.701 -1.382 -11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.556 -2.384 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.643 -3.155 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 63 99.776 -1.184 -13.203 1.00 0.00 H new ATOM 0 HD22 LEU A 63 99.711 -2.956 -13.351 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.257 -2.049 -12.871 1.00 0.00 H new ATOM 1036 N GLY A 64 97.808 -4.832 -12.802 1.00 0.00 N ATOM 1037 CA GLY A 64 97.431 -5.314 -14.123 1.00 0.00 C ATOM 1038 C GLY A 64 96.202 -6.202 -14.003 1.00 0.00 C ATOM 1039 O GLY A 64 95.655 -6.359 -12.911 1.00 0.00 O ATOM 0 H GLY A 64 98.612 -5.305 -12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.223 -4.473 -14.784 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.255 -5.872 -14.568 1.00 0.00 H new ATOM 1043 N LEU A 65 95.754 -6.778 -15.113 1.00 0.00 N ATOM 1044 CA LEU A 65 94.576 -7.633 -15.065 1.00 0.00 C ATOM 1045 C LEU A 65 94.923 -8.986 -14.450 1.00 0.00 C ATOM 1046 O LEU A 65 94.097 -9.600 -13.774 1.00 0.00 O ATOM 1047 CB LEU A 65 93.999 -7.827 -16.469 1.00 0.00 C ATOM 1048 CG LEU A 65 93.352 -6.523 -16.950 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.432 -5.462 -17.191 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.598 -6.784 -18.255 1.00 0.00 C ATOM 0 H LEU A 65 96.177 -6.672 -16.035 1.00 0.00 H new ATOM 0 HA LEU A 65 93.825 -7.148 -14.441 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.788 -8.128 -17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.260 -8.629 -16.461 1.00 0.00 H new ATOM 0 HG LEU A 65 92.660 -6.163 -16.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 93.965 -4.538 -17.533 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.971 -5.274 -16.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 95.129 -5.818 -17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 65 92.137 -5.859 -18.600 1.00 0.00 H new ATOM 0 HD22 LEU A 65 93.294 -7.146 -19.011 1.00 0.00 H new ATOM 0 HD23 LEU A 65 91.825 -7.533 -18.085 1.00 0.00 H new ATOM 1062 N ASP A 66 96.149 -9.449 -14.689 1.00 0.00 N ATOM 1063 CA ASP A 66 96.623 -10.727 -14.170 1.00 0.00 C ATOM 1064 C ASP A 66 97.542 -10.531 -12.966 1.00 0.00 C ATOM 1065 O ASP A 66 98.182 -11.477 -12.511 1.00 0.00 O ATOM 1066 CB ASP A 66 97.439 -11.416 -15.266 1.00 0.00 C ATOM 1067 CG ASP A 66 97.923 -12.777 -14.776 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.150 -13.718 -14.844 1.00 0.00 O ATOM 1069 OD2 ASP A 66 99.059 -12.857 -14.339 1.00 0.00 O ATOM 0 H ASP A 66 96.840 -8.948 -15.248 1.00 0.00 H new ATOM 0 HA ASP A 66 95.759 -11.318 -13.867 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.830 -11.538 -16.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.291 -10.795 -15.542 1.00 0.00 H new ATOM 1074 N VAL A 67 97.624 -9.300 -12.466 1.00 0.00 N ATOM 1075 CA VAL A 67 98.498 -9.010 -11.328 1.00 0.00 C ATOM 1076 C VAL A 67 97.713 -8.913 -10.025 1.00 0.00 C ATOM 1077 O VAL A 67 97.216 -7.847 -9.657 1.00 0.00 O ATOM 1078 CB VAL A 67 99.275 -7.709 -11.580 1.00 0.00 C ATOM 1079 CG1 VAL A 67 99.796 -7.134 -10.254 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.467 -8.002 -12.498 1.00 0.00 C ATOM 0 H VAL A 67 97.105 -8.497 -12.823 1.00 0.00 H new ATOM 0 HA VAL A 67 99.201 -9.837 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 67 98.608 -6.984 -12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.345 -6.212 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 67 98.955 -6.924 -9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.459 -7.858 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.021 -7.081 -12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.122 -8.732 -12.022 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.107 -8.401 -13.446 1.00 0.00 H new ATOM 1090 N LEU A 68 97.638 -10.038 -9.321 1.00 0.00 N ATOM 1091 CA LEU A 68 96.949 -10.102 -8.040 1.00 0.00 C ATOM 1092 C LEU A 68 97.989 -10.324 -6.942 1.00 0.00 C ATOM 1093 O LEU A 68 98.695 -11.334 -6.943 1.00 0.00 O ATOM 1094 CB LEU A 68 95.914 -11.246 -8.070 1.00 0.00 C ATOM 1095 CG LEU A 68 95.743 -11.888 -6.685 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.214 -10.858 -5.683 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.741 -13.041 -6.790 1.00 0.00 C ATOM 0 H LEU A 68 98.049 -10.922 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 68 96.416 -9.172 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 68 94.954 -10.861 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.229 -12.004 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 68 96.710 -12.255 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.098 -11.327 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.919 -10.030 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.249 -10.483 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.614 -13.503 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.782 -12.659 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.114 -13.784 -7.496 1.00 0.00 H new ATOM 1109 N ILE A 69 98.099 -9.367 -6.021 1.00 0.00 N ATOM 1110 CA ILE A 69 99.082 -9.469 -4.941 1.00 0.00 C ATOM 1111 C ILE A 69 98.397 -9.578 -3.581 1.00 0.00 C ATOM 1112 O ILE A 69 97.356 -8.968 -3.347 1.00 0.00 O ATOM 1113 CB ILE A 69 100.006 -8.245 -4.975 1.00 0.00 C ATOM 1114 CG1 ILE A 69 100.946 -8.351 -6.193 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.835 -8.179 -3.683 1.00 0.00 C ATOM 1116 CD1 ILE A 69 100.910 -7.048 -6.997 1.00 0.00 C ATOM 0 H ILE A 69 97.528 -8.522 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 69 99.671 -10.374 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 69 99.405 -7.339 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 69 101.964 -8.555 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.644 -9.186 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.489 -7.307 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.167 -8.101 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.438 -9.082 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.577 -7.132 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.893 -6.862 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.234 -6.221 -6.365 1.00 0.00 H new ATOM 1128 N ARG A 70 99.007 -10.357 -2.683 1.00 0.00 N ATOM 1129 CA ARG A 70 98.467 -10.541 -1.336 1.00 0.00 C ATOM 1130 C ARG A 70 99.532 -10.273 -0.270 1.00 0.00 C ATOM 1131 O ARG A 70 100.670 -10.752 -0.365 1.00 0.00 O ATOM 1132 CB ARG A 70 97.910 -11.961 -1.176 1.00 0.00 C ATOM 1133 CG ARG A 70 98.580 -12.898 -2.184 1.00 0.00 C ATOM 1134 CD ARG A 70 98.041 -14.318 -2.002 1.00 0.00 C ATOM 1135 NE ARG A 70 98.293 -14.786 -0.640 1.00 0.00 N ATOM 1136 CZ ARG A 70 97.355 -14.723 0.306 1.00 0.00 C ATOM 1137 NH1 ARG A 70 96.176 -14.233 0.031 1.00 0.00 N ATOM 1138 NH2 ARG A 70 97.617 -15.151 1.510 1.00 0.00 N ATOM 0 H ARG A 70 99.871 -10.868 -2.865 1.00 0.00 H new ATOM 0 HA ARG A 70 97.660 -9.822 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.086 -12.318 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 70 96.831 -11.958 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 70 98.388 -12.553 -3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.661 -12.888 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 70 96.971 -14.337 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 70 98.516 -14.989 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 70 99.209 -15.170 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 70 95.970 -13.897 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.461 -14.186 0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 70 98.538 -15.533 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 70 96.901 -15.104 2.235 1.00 0.00 H new ATOM 1152 N MET A 71 99.140 -9.517 0.752 1.00 0.00 N ATOM 1153 CA MET A 71 100.038 -9.184 1.851 1.00 0.00 C ATOM 1154 C MET A 71 99.253 -9.152 3.161 1.00 0.00 C ATOM 1155 O MET A 71 98.081 -8.784 3.180 1.00 0.00 O ATOM 1156 CB MET A 71 100.701 -7.810 1.613 1.00 0.00 C ATOM 1157 CG MET A 71 100.481 -7.342 0.165 1.00 0.00 C ATOM 1158 SD MET A 71 100.676 -5.541 0.076 1.00 0.00 S ATOM 1159 CE MET A 71 102.245 -5.413 0.970 1.00 0.00 C ATOM 0 H MET A 71 98.203 -9.123 0.841 1.00 0.00 H new ATOM 0 HA MET A 71 100.818 -9.944 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.286 -7.076 2.304 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.769 -7.875 1.821 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.195 -7.829 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.485 -7.628 -0.174 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.756 -4.496 0.678 1.00 0.00 H new ATOM 0 HE2 MET A 71 102.052 -5.395 2.043 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.873 -6.271 0.728 1.00 0.00 H new ATOM 1169 N GLU A 72 99.917 -9.513 4.255 1.00 0.00 N ATOM 1170 CA GLU A 72 99.280 -9.491 5.570 1.00 0.00 C ATOM 1171 C GLU A 72 99.917 -8.375 6.381 1.00 0.00 C ATOM 1172 O GLU A 72 101.138 -8.348 6.543 1.00 0.00 O ATOM 1173 CB GLU A 72 99.460 -10.834 6.280 1.00 0.00 C ATOM 1174 CG GLU A 72 98.735 -10.806 7.627 1.00 0.00 C ATOM 1175 CD GLU A 72 98.558 -12.227 8.152 1.00 0.00 C ATOM 1176 OE1 GLU A 72 98.219 -13.093 7.362 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.763 -12.430 9.338 1.00 0.00 O ATOM 0 H GLU A 72 100.889 -9.822 4.259 1.00 0.00 H new ATOM 0 HA GLU A 72 98.209 -9.317 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.066 -11.640 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.520 -11.037 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.303 -10.213 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.763 -10.326 7.516 1.00 0.00 H new ATOM 1184 N ILE A 73 99.114 -7.421 6.836 1.00 0.00 N ATOM 1185 CA ILE A 73 99.669 -6.284 7.557 1.00 0.00 C ATOM 1186 C ILE A 73 98.933 -5.965 8.857 1.00 0.00 C ATOM 1187 O ILE A 73 97.813 -6.422 9.089 1.00 0.00 O ATOM 1188 CB ILE A 73 99.602 -5.069 6.639 1.00 0.00 C ATOM 1189 CG1 ILE A 73 98.138 -4.634 6.484 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.181 -5.437 5.263 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.995 -3.677 5.298 1.00 0.00 C ATOM 0 H ILE A 73 98.100 -7.410 6.722 1.00 0.00 H new ATOM 0 HA ILE A 73 100.692 -6.538 7.835 1.00 0.00 H new ATOM 0 HB ILE A 73 100.181 -4.251 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.505 -5.508 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.797 -4.147 7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.134 -4.570 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.219 -5.750 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.601 -6.252 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.952 -3.375 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.614 -2.795 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.317 -4.178 4.385 1.00 0.00 H new ATOM 1203 N SER A 74 99.581 -5.146 9.682 1.00 0.00 N ATOM 1204 CA SER A 74 99.014 -4.711 10.959 1.00 0.00 C ATOM 1205 C SER A 74 98.888 -3.187 10.973 1.00 0.00 C ATOM 1206 O SER A 74 99.674 -2.485 10.337 1.00 0.00 O ATOM 1207 CB SER A 74 99.906 -5.169 12.113 1.00 0.00 C ATOM 1208 OG SER A 74 100.870 -4.161 12.391 1.00 0.00 O ATOM 0 H SER A 74 100.508 -4.767 9.488 1.00 0.00 H new ATOM 0 HA SER A 74 98.026 -5.155 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.302 -5.365 12.999 1.00 0.00 H new ATOM 0 HB3 SER A 74 100.404 -6.103 11.854 1.00 0.00 H new ATOM 0 HG SER A 74 101.443 -4.451 13.132 1.00 0.00 H new ATOM 1214 N LEU A 75 97.881 -2.682 11.687 1.00 0.00 N ATOM 1215 CA LEU A 75 97.649 -1.239 11.756 1.00 0.00 C ATOM 1216 C LEU A 75 98.797 -0.547 12.480 1.00 0.00 C ATOM 1217 O LEU A 75 99.110 -0.862 13.628 1.00 0.00 O ATOM 1218 CB LEU A 75 96.323 -0.947 12.465 1.00 0.00 C ATOM 1219 CG LEU A 75 95.904 0.507 12.212 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.370 0.656 10.785 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.803 0.901 13.198 1.00 0.00 C ATOM 0 H LEU A 75 97.219 -3.245 12.221 1.00 0.00 H new ATOM 0 HA LEU A 75 97.596 -0.849 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.550 -1.625 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.427 -1.124 13.536 1.00 0.00 H new ATOM 0 HG LEU A 75 96.771 1.153 12.346 1.00 0.00 H new ATOM 0 HD11 LEU A 75 95.075 1.691 10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.148 0.378 10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.506 0.005 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.506 1.934 13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.942 0.247 13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.176 0.803 14.218 1.00 0.00 H new ATOM 1233 N ALA A 76 99.394 0.431 11.798 1.00 0.00 N ATOM 1234 CA ALA A 76 100.484 1.213 12.372 1.00 0.00 C ATOM 1235 C ALA A 76 99.981 2.556 12.925 1.00 0.00 C ATOM 1236 O ALA A 76 100.364 2.970 14.019 1.00 0.00 O ATOM 1237 CB ALA A 76 101.590 1.411 11.338 1.00 0.00 C ATOM 0 H ALA A 76 99.139 0.699 10.847 1.00 0.00 H new ATOM 0 HA ALA A 76 100.899 0.659 13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.398 1.996 11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.973 0.440 11.025 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.189 1.939 10.473 1.00 0.00 H new ATOM 1243 N TRP A 77 99.133 3.237 12.145 1.00 0.00 N ATOM 1244 CA TRP A 77 98.593 4.547 12.550 1.00 0.00 C ATOM 1245 C TRP A 77 97.387 4.931 11.683 1.00 0.00 C ATOM 1246 O TRP A 77 97.099 4.275 10.682 1.00 0.00 O ATOM 1247 CB TRP A 77 99.677 5.620 12.365 1.00 0.00 C ATOM 1248 CG TRP A 77 100.057 5.607 10.926 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.081 4.898 10.404 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.422 6.299 9.811 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.067 5.046 9.034 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.080 5.922 8.623 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.335 7.187 9.710 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.686 6.409 7.378 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 97.931 7.683 8.457 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.610 7.297 7.291 1.00 0.00 C ATOM 0 H TRP A 77 98.806 2.909 11.236 1.00 0.00 H new ATOM 0 HA TRP A 77 98.283 4.482 13.593 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.303 6.601 12.657 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.541 5.408 12.995 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.793 4.312 10.967 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.707 4.567 8.400 1.00 0.00 H new ATOM 0 HE3 TRP A 77 97.807 7.490 10.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.210 6.102 6.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.095 8.364 8.392 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.303 7.684 6.331 1.00 0.00 H new ATOM 1267 N ALA A 78 96.714 6.022 12.056 1.00 0.00 N ATOM 1268 CA ALA A 78 95.567 6.519 11.289 1.00 0.00 C ATOM 1269 C ALA A 78 95.452 8.034 11.463 1.00 0.00 C ATOM 1270 O ALA A 78 95.356 8.520 12.590 1.00 0.00 O ATOM 1271 CB ALA A 78 94.287 5.862 11.811 1.00 0.00 C ATOM 0 H ALA A 78 96.941 6.577 12.881 1.00 0.00 H new ATOM 0 HA ALA A 78 95.707 6.279 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.432 6.229 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.361 4.780 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.155 6.108 12.865 1.00 0.00 H new ATOM 1277 N ARG A 79 95.458 8.788 10.358 1.00 0.00 N ATOM 1278 CA ARG A 79 95.348 10.246 10.467 1.00 0.00 C ATOM 1279 C ARG A 79 94.705 10.885 9.225 1.00 0.00 C ATOM 1280 O ARG A 79 95.118 10.625 8.098 1.00 0.00 O ATOM 1281 CB ARG A 79 96.744 10.837 10.746 1.00 0.00 C ATOM 1282 CG ARG A 79 96.874 12.259 10.182 1.00 0.00 C ATOM 1283 CD ARG A 79 98.158 12.908 10.715 1.00 0.00 C ATOM 1284 NE ARG A 79 97.849 13.761 11.863 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.437 13.591 13.049 1.00 0.00 C ATOM 1286 NH1 ARG A 79 99.322 12.646 13.222 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.126 14.379 14.042 1.00 0.00 N ATOM 0 H ARG A 79 95.535 8.428 9.407 1.00 0.00 H new ATOM 0 HA ARG A 79 94.681 10.478 11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 79 96.926 10.852 11.821 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.507 10.197 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.895 12.229 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.007 12.855 10.468 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.871 12.137 11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.630 13.498 9.930 1.00 0.00 H new ATOM 0 HE ARG A 79 97.163 14.508 11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 79 99.569 12.030 12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 79 99.766 12.524 14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 79 97.437 15.119 13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 79 98.572 14.254 14.951 1.00 0.00 H new ATOM 1301 N ASP A 80 93.725 11.764 9.460 1.00 0.00 N ATOM 1302 CA ASP A 80 93.059 12.501 8.380 1.00 0.00 C ATOM 1303 C ASP A 80 92.499 11.601 7.275 1.00 0.00 C ATOM 1304 O ASP A 80 92.665 11.890 6.091 1.00 0.00 O ATOM 1305 CB ASP A 80 94.026 13.542 7.784 1.00 0.00 C ATOM 1306 CG ASP A 80 94.907 12.927 6.696 1.00 0.00 C ATOM 1307 OD1 ASP A 80 95.958 12.411 7.031 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.523 12.999 5.541 1.00 0.00 O ATOM 0 H ASP A 80 93.374 11.983 10.392 1.00 0.00 H new ATOM 0 HA ASP A 80 92.199 12.999 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 80 93.457 14.373 7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.654 13.952 8.575 1.00 0.00 H new ATOM 1313 N GLY A 81 91.800 10.535 7.646 1.00 0.00 N ATOM 1314 CA GLY A 81 91.202 9.656 6.643 1.00 0.00 C ATOM 1315 C GLY A 81 92.251 8.821 5.924 1.00 0.00 C ATOM 1316 O GLY A 81 91.959 8.175 4.918 1.00 0.00 O ATOM 0 H GLY A 81 91.634 10.260 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.479 8.996 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.654 10.255 5.916 1.00 0.00 H new ATOM 1320 N LEU A 82 93.466 8.816 6.458 1.00 0.00 N ATOM 1321 CA LEU A 82 94.547 8.032 5.875 1.00 0.00 C ATOM 1322 C LEU A 82 94.976 6.969 6.874 1.00 0.00 C ATOM 1323 O LEU A 82 95.028 7.225 8.078 1.00 0.00 O ATOM 1324 CB LEU A 82 95.732 8.935 5.513 1.00 0.00 C ATOM 1325 CG LEU A 82 95.265 10.050 4.568 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.472 10.867 4.097 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.563 9.441 3.347 1.00 0.00 C ATOM 0 H LEU A 82 93.727 9.344 7.291 1.00 0.00 H new ATOM 0 HA LEU A 82 94.198 7.555 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.161 9.368 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.517 8.347 5.037 1.00 0.00 H new ATOM 0 HG LEU A 82 94.569 10.697 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.137 11.658 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 96.971 11.310 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.169 10.216 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.234 10.239 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 95.256 8.788 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.699 8.863 3.675 1.00 0.00 H new ATOM 1339 N LEU A 83 95.264 5.771 6.382 1.00 0.00 N ATOM 1340 CA LEU A 83 95.663 4.682 7.262 1.00 0.00 C ATOM 1341 C LEU A 83 96.952 4.043 6.797 1.00 0.00 C ATOM 1342 O LEU A 83 97.117 3.756 5.613 1.00 0.00 O ATOM 1343 CB LEU A 83 94.590 3.591 7.229 1.00 0.00 C ATOM 1344 CG LEU A 83 93.208 4.185 7.492 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.154 3.106 7.242 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.114 4.659 8.945 1.00 0.00 C ATOM 0 H LEU A 83 95.229 5.531 5.391 1.00 0.00 H new ATOM 0 HA LEU A 83 95.794 5.097 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.599 3.094 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.813 2.831 7.978 1.00 0.00 H new ATOM 0 HG LEU A 83 93.041 5.034 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.162 3.517 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.220 2.766 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.328 2.265 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.126 5.082 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.276 3.814 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.873 5.419 9.130 1.00 0.00 H new ATOM 1358 N GLY A 84 97.851 3.786 7.732 1.00 0.00 N ATOM 1359 CA GLY A 84 99.104 3.142 7.399 1.00 0.00 C ATOM 1360 C GLY A 84 99.117 1.745 7.976 1.00 0.00 C ATOM 1361 O GLY A 84 98.401 1.449 8.932 1.00 0.00 O ATOM 0 H GLY A 84 97.736 4.013 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.229 3.102 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.939 3.719 7.795 1.00 0.00 H new ATOM 1365 N PHE A 85 99.924 0.892 7.390 1.00 0.00 N ATOM 1366 CA PHE A 85 100.018 -0.480 7.845 1.00 0.00 C ATOM 1367 C PHE A 85 101.440 -0.983 7.686 1.00 0.00 C ATOM 1368 O PHE A 85 102.123 -0.639 6.720 1.00 0.00 O ATOM 1369 CB PHE A 85 99.081 -1.355 7.017 1.00 0.00 C ATOM 1370 CG PHE A 85 97.645 -1.088 7.395 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.051 -1.817 8.430 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.904 -0.121 6.707 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.721 -1.580 8.781 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.570 0.116 7.059 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.980 -0.613 8.094 1.00 0.00 C ATOM 0 H PHE A 85 100.525 1.121 6.598 1.00 0.00 H new ATOM 0 HA PHE A 85 99.735 -0.526 8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.228 -1.154 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.317 -2.407 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.623 -2.565 8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.360 0.442 5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.265 -2.143 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.997 0.863 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.950 -0.430 8.364 1.00 0.00 H new ATOM 1385 N GLU A 86 101.886 -1.806 8.624 1.00 0.00 N ATOM 1386 CA GLU A 86 103.232 -2.355 8.555 1.00 0.00 C ATOM 1387 C GLU A 86 103.145 -3.805 8.091 1.00 0.00 C ATOM 1388 O GLU A 86 102.345 -4.584 8.609 1.00 0.00 O ATOM 1389 CB GLU A 86 103.899 -2.292 9.931 1.00 0.00 C ATOM 1390 CG GLU A 86 105.375 -2.675 9.801 1.00 0.00 C ATOM 1391 CD GLU A 86 106.034 -2.690 11.177 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.696 -1.837 11.982 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.866 -3.552 11.404 1.00 0.00 O ATOM 0 H GLU A 86 101.342 -2.106 9.433 1.00 0.00 H new ATOM 0 HA GLU A 86 103.829 -1.773 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.808 -1.288 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.396 -2.969 10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.465 -3.656 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.887 -1.966 9.151 1.00 0.00 H new ATOM 1400 N CYS A 87 103.942 -4.151 7.088 1.00 0.00 N ATOM 1401 CA CYS A 87 103.912 -5.499 6.532 1.00 0.00 C ATOM 1402 C CYS A 87 104.466 -6.541 7.498 1.00 0.00 C ATOM 1403 O CYS A 87 105.637 -6.498 7.878 1.00 0.00 O ATOM 1404 CB CYS A 87 104.715 -5.536 5.229 1.00 0.00 C ATOM 1405 SG CYS A 87 104.148 -6.920 4.212 1.00 0.00 S ATOM 0 H CYS A 87 104.613 -3.523 6.645 1.00 0.00 H new ATOM 0 HA CYS A 87 102.868 -5.748 6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.593 -4.598 4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.778 -5.642 5.447 1.00 0.00 H new ATOM 0 HG CYS A 87 104.827 -6.951 3.104 1.00 0.00 H new ATOM 1411 N GLN A 88 103.612 -7.492 7.874 1.00 0.00 N ATOM 1412 CA GLN A 88 104.016 -8.566 8.776 1.00 0.00 C ATOM 1413 C GLN A 88 104.495 -9.766 7.967 1.00 0.00 C ATOM 1414 O GLN A 88 105.437 -10.457 8.356 1.00 0.00 O ATOM 1415 CB GLN A 88 102.837 -8.998 9.652 1.00 0.00 C ATOM 1416 CG GLN A 88 102.163 -7.772 10.269 1.00 0.00 C ATOM 1417 CD GLN A 88 103.002 -7.235 11.423 1.00 0.00 C ATOM 1418 OE1 GLN A 88 103.390 -7.991 12.315 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.304 -5.966 11.463 1.00 0.00 N ATOM 0 H GLN A 88 102.640 -7.540 7.569 1.00 0.00 H new ATOM 0 HA GLN A 88 104.823 -8.199 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.116 -9.557 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.185 -9.666 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.035 -6.998 9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.167 -8.036 10.626 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.982 -5.342 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.862 -5.599 12.234 1.00 0.00 H new ATOM 1428 N HIS A 89 103.835 -10.004 6.835 1.00 0.00 N ATOM 1429 CA HIS A 89 104.192 -11.119 5.968 1.00 0.00 C ATOM 1430 C HIS A 89 103.565 -10.929 4.590 1.00 0.00 C ATOM 1431 O HIS A 89 102.455 -10.423 4.469 1.00 0.00 O ATOM 1432 CB HIS A 89 103.723 -12.442 6.597 1.00 0.00 C ATOM 1433 CG HIS A 89 102.751 -13.135 5.680 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.110 -13.565 4.412 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.430 -13.470 5.832 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.024 -14.128 3.851 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.971 -14.097 4.676 1.00 0.00 N ATOM 0 H HIS A 89 103.054 -9.441 6.500 1.00 0.00 H new ATOM 0 HA HIS A 89 105.276 -11.153 5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.580 -13.088 6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.251 -12.249 7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.836 -13.277 6.713 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.005 -14.552 2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.033 -14.456 4.497 1.00 0.00 H new ATOM 1445 N ILE A 90 104.291 -11.333 3.559 1.00 0.00 N ATOM 1446 CA ILE A 90 103.815 -11.202 2.185 1.00 0.00 C ATOM 1447 C ILE A 90 104.307 -12.379 1.348 1.00 0.00 C ATOM 1448 O ILE A 90 105.423 -12.867 1.526 1.00 0.00 O ATOM 1449 CB ILE A 90 104.282 -9.874 1.592 1.00 0.00 C ATOM 1450 CG1 ILE A 90 103.885 -9.801 0.113 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.801 -9.756 1.738 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.282 -8.440 -0.468 1.00 0.00 C ATOM 0 H ILE A 90 105.215 -11.756 3.645 1.00 0.00 H new ATOM 0 HA ILE A 90 102.725 -11.211 2.180 1.00 0.00 H new ATOM 0 HB ILE A 90 103.808 -9.049 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.374 -10.600 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.811 -9.951 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.135 -8.808 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.069 -9.797 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.282 -10.579 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 90 103.997 -8.396 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.772 -7.648 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.360 -8.307 -0.379 1.00 0.00 H new ATOM 1464 N ASP A 91 103.432 -12.851 0.460 1.00 0.00 N ATOM 1465 CA ASP A 91 103.744 -14.004 -0.385 1.00 0.00 C ATOM 1466 C ASP A 91 104.990 -13.777 -1.247 1.00 0.00 C ATOM 1467 O ASP A 91 105.226 -12.683 -1.760 1.00 0.00 O ATOM 1468 CB ASP A 91 102.541 -14.331 -1.280 1.00 0.00 C ATOM 1469 CG ASP A 91 101.615 -15.322 -0.580 1.00 0.00 C ATOM 1470 OD1 ASP A 91 100.818 -14.884 0.233 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.719 -16.503 -0.866 1.00 0.00 O ATOM 0 H ASP A 91 102.505 -12.455 0.307 1.00 0.00 H new ATOM 0 HA ASP A 91 103.958 -14.844 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.996 -13.417 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.885 -14.750 -2.225 1.00 0.00 H new ATOM 1476 N LEU A 92 105.782 -14.841 -1.378 1.00 0.00 N ATOM 1477 CA LEU A 92 107.019 -14.790 -2.160 1.00 0.00 C ATOM 1478 C LEU A 92 106.743 -14.286 -3.577 1.00 0.00 C ATOM 1479 O LEU A 92 107.503 -13.479 -4.113 1.00 0.00 O ATOM 1480 CB LEU A 92 107.653 -16.184 -2.229 1.00 0.00 C ATOM 1481 CG LEU A 92 109.058 -16.089 -2.848 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.091 -15.833 -1.748 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.394 -17.402 -3.560 1.00 0.00 C ATOM 0 H LEU A 92 105.590 -15.748 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 92 107.705 -14.100 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.715 -16.615 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.028 -16.849 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 92 109.079 -15.268 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.085 -15.766 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.857 -14.898 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.068 -16.652 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.390 -17.334 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.369 -18.222 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.663 -17.586 -4.347 1.00 0.00 H new ATOM 1495 N ASP A 93 105.653 -14.756 -4.173 1.00 0.00 N ATOM 1496 CA ASP A 93 105.293 -14.330 -5.520 1.00 0.00 C ATOM 1497 C ASP A 93 104.879 -12.865 -5.502 1.00 0.00 C ATOM 1498 O ASP A 93 105.181 -12.108 -6.425 1.00 0.00 O ATOM 1499 CB ASP A 93 104.140 -15.185 -6.050 1.00 0.00 C ATOM 1500 CG ASP A 93 102.897 -14.970 -5.193 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.375 -13.867 -5.209 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.486 -15.910 -4.533 1.00 0.00 O ATOM 0 H ASP A 93 105.009 -15.425 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 93 106.156 -14.453 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.928 -14.922 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.422 -16.238 -6.039 1.00 0.00 H new ATOM 1507 N SER A 94 104.194 -12.475 -4.433 1.00 0.00 N ATOM 1508 CA SER A 94 103.746 -11.098 -4.276 1.00 0.00 C ATOM 1509 C SER A 94 104.943 -10.177 -4.092 1.00 0.00 C ATOM 1510 O SER A 94 104.971 -9.060 -4.608 1.00 0.00 O ATOM 1511 CB SER A 94 102.838 -10.991 -3.055 1.00 0.00 C ATOM 1512 OG SER A 94 102.914 -9.672 -2.529 1.00 0.00 O ATOM 0 H SER A 94 103.937 -13.093 -3.663 1.00 0.00 H new ATOM 0 HA SER A 94 103.198 -10.801 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 94 101.810 -11.227 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.140 -11.715 -2.298 1.00 0.00 H new ATOM 0 HG SER A 94 102.161 -9.518 -1.921 1.00 0.00 H new ATOM 1518 N ILE A 95 105.931 -10.663 -3.352 1.00 0.00 N ATOM 1519 CA ILE A 95 107.138 -9.890 -3.096 1.00 0.00 C ATOM 1520 C ILE A 95 107.818 -9.524 -4.405 1.00 0.00 C ATOM 1521 O ILE A 95 108.377 -8.435 -4.541 1.00 0.00 O ATOM 1522 CB ILE A 95 108.111 -10.698 -2.228 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.600 -10.733 -0.787 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.497 -10.045 -2.256 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.403 -11.751 0.032 1.00 0.00 C ATOM 0 H ILE A 95 105.920 -11.587 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 95 106.856 -8.978 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 95 108.181 -11.713 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.687 -9.744 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.543 -10.997 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.184 -10.623 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 95 109.866 -10.018 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.428 -9.028 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.031 -11.768 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.294 -12.741 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.456 -11.468 0.033 1.00 0.00 H new ATOM 1537 N SER A 96 107.795 -10.447 -5.359 1.00 0.00 N ATOM 1538 CA SER A 96 108.449 -10.197 -6.633 1.00 0.00 C ATOM 1539 C SER A 96 107.699 -9.145 -7.440 1.00 0.00 C ATOM 1540 O SER A 96 108.321 -8.285 -8.063 1.00 0.00 O ATOM 1541 CB SER A 96 108.576 -11.485 -7.437 1.00 0.00 C ATOM 1542 OG SER A 96 109.863 -11.547 -8.039 1.00 0.00 O ATOM 0 H SER A 96 107.340 -11.356 -5.277 1.00 0.00 H new ATOM 0 HA SER A 96 109.449 -9.817 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.425 -12.347 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.802 -11.525 -8.204 1.00 0.00 H new ATOM 0 HG SER A 96 109.944 -12.377 -8.554 1.00 0.00 H new ATOM 1548 N HIS A 97 106.374 -9.197 -7.435 1.00 0.00 N ATOM 1549 CA HIS A 97 105.620 -8.210 -8.187 1.00 0.00 C ATOM 1550 C HIS A 97 105.918 -6.820 -7.631 1.00 0.00 C ATOM 1551 O HIS A 97 106.034 -5.857 -8.384 1.00 0.00 O ATOM 1552 CB HIS A 97 104.123 -8.496 -8.132 1.00 0.00 C ATOM 1553 CG HIS A 97 103.754 -9.568 -9.116 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.559 -9.296 -10.459 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.507 -10.909 -8.963 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.208 -10.446 -11.057 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.162 -11.462 -10.192 1.00 0.00 N ATOM 0 H HIS A 97 105.816 -9.889 -6.935 1.00 0.00 H new ATOM 0 HA HIS A 97 105.924 -8.259 -9.233 1.00 0.00 H new ATOM 0 HB2 HIS A 97 103.843 -8.807 -7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.565 -7.586 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.571 -11.452 -8.032 1.00 0.00 H new ATOM 0 HE1 HIS A 97 102.989 -10.538 -12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 97 102.925 -12.434 -10.390 1.00 0.00 H new ATOM 1565 N LEU A 98 106.092 -6.726 -6.320 1.00 0.00 N ATOM 1566 CA LEU A 98 106.431 -5.447 -5.707 1.00 0.00 C ATOM 1567 C LEU A 98 107.828 -5.034 -6.162 1.00 0.00 C ATOM 1568 O LEU A 98 108.089 -3.849 -6.370 1.00 0.00 O ATOM 1569 CB LEU A 98 106.380 -5.536 -4.180 1.00 0.00 C ATOM 1570 CG LEU A 98 104.925 -5.509 -3.700 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.898 -5.644 -2.177 1.00 0.00 C ATOM 1572 CD2 LEU A 98 104.263 -4.184 -4.108 1.00 0.00 C ATOM 0 H LEU A 98 106.006 -7.506 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 98 105.701 -4.700 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.865 -6.453 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 106.932 -4.705 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 98 104.378 -6.335 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 98 103.865 -5.626 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 98 105.362 -6.587 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 98 105.447 -4.816 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 98 103.229 -4.173 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 98 104.805 -3.353 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 98 104.285 -4.086 -5.193 1.00 0.00 H new ATOM 1584 N ARG A 99 108.710 -6.004 -6.358 1.00 0.00 N ATOM 1585 CA ARG A 99 110.054 -5.692 -6.838 1.00 0.00 C ATOM 1586 C ARG A 99 109.944 -5.122 -8.251 1.00 0.00 C ATOM 1587 O ARG A 99 110.618 -4.154 -8.605 1.00 0.00 O ATOM 1588 CB ARG A 99 110.928 -6.956 -6.846 1.00 0.00 C ATOM 1589 CG ARG A 99 112.027 -6.846 -5.782 1.00 0.00 C ATOM 1590 CD ARG A 99 111.405 -6.937 -4.386 1.00 0.00 C ATOM 1591 NE ARG A 99 112.273 -6.298 -3.405 1.00 0.00 N ATOM 1592 CZ ARG A 99 113.456 -6.817 -3.093 1.00 0.00 C ATOM 1593 NH1 ARG A 99 113.855 -7.922 -3.661 1.00 0.00 N ATOM 1594 NH2 ARG A 99 114.218 -6.222 -2.216 1.00 0.00 N ATOM 0 H ARG A 99 108.528 -6.995 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 99 110.520 -4.962 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.312 -7.834 -6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.377 -7.091 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.759 -7.643 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 99 112.560 -5.902 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.427 -6.457 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.248 -7.982 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 99 111.967 -5.438 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 99 113.259 -8.388 -4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 99 114.763 -8.320 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 99 113.905 -5.359 -1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 99 115.126 -6.620 -1.976 1.00 0.00 H new ATOM 1608 N ARG A 100 109.061 -5.730 -9.039 1.00 0.00 N ATOM 1609 CA ARG A 100 108.815 -5.292 -10.410 1.00 0.00 C ATOM 1610 C ARG A 100 108.318 -3.850 -10.424 1.00 0.00 C ATOM 1611 O ARG A 100 108.773 -3.030 -11.221 1.00 0.00 O ATOM 1612 CB ARG A 100 107.750 -6.196 -11.046 1.00 0.00 C ATOM 1613 CG ARG A 100 108.400 -7.490 -11.577 1.00 0.00 C ATOM 1614 CD ARG A 100 108.684 -7.381 -13.086 1.00 0.00 C ATOM 1615 NE ARG A 100 110.110 -7.176 -13.316 1.00 0.00 N ATOM 1616 CZ ARG A 100 110.946 -8.203 -13.422 1.00 0.00 C ATOM 1617 NH1 ARG A 100 110.500 -9.424 -13.298 1.00 0.00 N ATOM 1618 NH2 ARG A 100 112.214 -7.993 -13.645 1.00 0.00 N ATOM 0 H ARG A 100 108.501 -6.532 -8.749 1.00 0.00 H new ATOM 0 HA ARG A 100 109.746 -5.354 -10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 100 106.983 -6.440 -10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.254 -5.669 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.329 -7.682 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.741 -8.337 -11.387 1.00 0.00 H new ATOM 0 HD2 ARG A 100 108.353 -8.288 -13.592 1.00 0.00 H new ATOM 0 HD3 ARG A 100 108.117 -6.553 -13.512 1.00 0.00 H new ATOM 0 HE ARG A 100 110.472 -6.226 -13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 100 109.509 -9.589 -13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 100 111.142 -10.212 -13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 100 112.564 -7.040 -13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 100 112.855 -8.782 -13.726 1.00 0.00 H new ATOM 1632 N LEU A 101 107.376 -3.552 -9.533 1.00 0.00 N ATOM 1633 CA LEU A 101 106.815 -2.209 -9.448 1.00 0.00 C ATOM 1634 C LEU A 101 107.902 -1.214 -9.059 1.00 0.00 C ATOM 1635 O LEU A 101 107.917 -0.079 -9.531 1.00 0.00 O ATOM 1636 CB LEU A 101 105.678 -2.176 -8.413 1.00 0.00 C ATOM 1637 CG LEU A 101 104.317 -2.411 -9.094 1.00 0.00 C ATOM 1638 CD1 LEU A 101 104.406 -3.588 -10.075 1.00 0.00 C ATOM 1639 CD2 LEU A 101 103.259 -2.715 -8.023 1.00 0.00 C ATOM 0 H LEU A 101 106.988 -4.218 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 101 106.413 -1.932 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 101 105.848 -2.940 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 101 105.673 -1.214 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 101 104.038 -1.514 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 101 103.436 -3.741 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 101 105.152 -3.369 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 101 104.693 -4.490 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 101 102.294 -2.882 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 101 103.548 -3.608 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 101 103.183 -1.871 -7.337 1.00 0.00 H new ATOM 1651 N VAL A 102 108.812 -1.656 -8.199 1.00 0.00 N ATOM 1652 CA VAL A 102 109.908 -0.803 -7.751 1.00 0.00 C ATOM 1653 C VAL A 102 110.874 -0.526 -8.899 1.00 0.00 C ATOM 1654 O VAL A 102 111.274 0.615 -9.126 1.00 0.00 O ATOM 1655 CB VAL A 102 110.664 -1.495 -6.611 1.00 0.00 C ATOM 1656 CG1 VAL A 102 111.904 -0.674 -6.247 1.00 0.00 C ATOM 1657 CG2 VAL A 102 109.753 -1.626 -5.381 1.00 0.00 C ATOM 0 H VAL A 102 108.814 -2.594 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 102 109.493 0.142 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 102 110.969 -2.490 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.441 -1.166 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.555 -0.593 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 102 111.600 0.323 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.298 -2.119 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.439 -0.635 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.875 -2.218 -5.640 1.00 0.00 H new ATOM 1667 N GLU A 103 111.249 -1.583 -9.611 1.00 0.00 N ATOM 1668 CA GLU A 103 112.180 -1.455 -10.728 1.00 0.00 C ATOM 1669 C GLU A 103 111.577 -0.636 -11.868 1.00 0.00 C ATOM 1670 O GLU A 103 112.269 0.167 -12.493 1.00 0.00 O ATOM 1671 CB GLU A 103 112.563 -2.841 -11.247 1.00 0.00 C ATOM 1672 CG GLU A 103 113.522 -2.694 -12.430 1.00 0.00 C ATOM 1673 CD GLU A 103 114.175 -4.037 -12.742 1.00 0.00 C ATOM 1674 OE1 GLU A 103 114.917 -4.522 -11.904 1.00 0.00 O ATOM 1675 OE2 GLU A 103 113.923 -4.560 -13.815 1.00 0.00 O ATOM 0 H GLU A 103 110.925 -2.534 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 103 113.067 -0.935 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 103 113.034 -3.421 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 103 111.670 -3.386 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 103 112.981 -2.331 -13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 103 114.287 -1.953 -12.199 1.00 0.00 H new ATOM 1682 N LEU A 104 110.296 -0.854 -12.149 1.00 0.00 N ATOM 1683 CA LEU A 104 109.637 -0.133 -13.236 1.00 0.00 C ATOM 1684 C LEU A 104 109.331 1.308 -12.836 1.00 0.00 C ATOM 1685 O LEU A 104 109.523 2.231 -13.627 1.00 0.00 O ATOM 1686 CB LEU A 104 108.337 -0.841 -13.628 1.00 0.00 C ATOM 1687 CG LEU A 104 108.638 -2.281 -14.068 1.00 0.00 C ATOM 1688 CD1 LEU A 104 107.397 -3.153 -13.859 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.021 -2.301 -15.552 1.00 0.00 C ATOM 0 H LEU A 104 109.700 -1.513 -11.649 1.00 0.00 H new ATOM 0 HA LEU A 104 110.317 -0.120 -14.088 1.00 0.00 H new ATOM 0 HB2 LEU A 104 107.647 -0.846 -12.784 1.00 0.00 H new ATOM 0 HB3 LEU A 104 107.847 -0.299 -14.437 1.00 0.00 H new ATOM 0 HG LEU A 104 109.464 -2.669 -13.473 1.00 0.00 H new ATOM 0 HD11 LEU A 104 107.613 -4.174 -14.172 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.122 -3.147 -12.804 1.00 0.00 H new ATOM 0 HD13 LEU A 104 106.571 -2.759 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.234 -3.325 -15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 104 108.196 -1.908 -16.146 1.00 0.00 H new ATOM 0 HD23 LEU A 104 109.906 -1.684 -15.708 1.00 0.00 H new ATOM 1701 N ASN A 105 108.850 1.500 -11.612 1.00 0.00 N ATOM 1702 CA ASN A 105 108.521 2.841 -11.140 1.00 0.00 C ATOM 1703 C ASN A 105 109.761 3.729 -11.131 1.00 0.00 C ATOM 1704 O ASN A 105 109.676 4.930 -11.388 1.00 0.00 O ATOM 1705 CB ASN A 105 107.923 2.771 -9.734 1.00 0.00 C ATOM 1706 CG ASN A 105 106.503 2.219 -9.803 1.00 0.00 C ATOM 1707 OD1 ASN A 105 106.127 1.362 -9.005 1.00 0.00 O ATOM 1708 ND2 ASN A 105 105.686 2.662 -10.721 1.00 0.00 N ATOM 0 H ASN A 105 108.681 0.755 -10.936 1.00 0.00 H new ATOM 0 HA ASN A 105 107.788 3.274 -11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 105 108.539 2.136 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 105 107.916 3.763 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 105 104.735 2.297 -10.777 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.999 3.373 -11.382 1.00 0.00 H new ATOM 1715 N LEU A 106 110.911 3.134 -10.837 1.00 0.00 N ATOM 1716 CA LEU A 106 112.158 3.890 -10.803 1.00 0.00 C ATOM 1717 C LEU A 106 112.427 4.530 -12.161 1.00 0.00 C ATOM 1718 O LEU A 106 112.885 5.670 -12.242 1.00 0.00 O ATOM 1719 CB LEU A 106 113.320 2.967 -10.430 1.00 0.00 C ATOM 1720 CG LEU A 106 114.545 3.808 -10.056 1.00 0.00 C ATOM 1721 CD1 LEU A 106 114.311 4.518 -8.715 1.00 0.00 C ATOM 1722 CD2 LEU A 106 115.769 2.894 -9.944 1.00 0.00 C ATOM 0 H LEU A 106 111.007 2.142 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 106 112.067 4.676 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.036 2.328 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 106 113.559 2.310 -11.266 1.00 0.00 H new ATOM 0 HG LEU A 106 114.713 4.559 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 106 115.188 5.112 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.442 5.170 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 106 114.137 3.776 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 106 116.643 3.488 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 106 115.593 2.143 -9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 106 115.943 2.400 -10.900 1.00 0.00 H new ATOM 1734 N GLY A 107 112.136 3.788 -13.225 1.00 0.00 N ATOM 1735 CA GLY A 107 112.347 4.290 -14.579 1.00 0.00 C ATOM 1736 C GLY A 107 113.796 4.101 -15.012 1.00 0.00 C ATOM 1737 O GLY A 107 114.330 4.891 -15.791 1.00 0.00 O ATOM 0 H GLY A 107 111.756 2.843 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 107 111.686 3.768 -15.271 1.00 0.00 H new ATOM 0 HA3 GLY A 107 112.085 5.347 -14.624 1.00 0.00 H new ATOM 1741 N ASP A 108 114.427 3.049 -14.503 1.00 0.00 N ATOM 1742 CA ASP A 108 115.815 2.765 -14.845 1.00 0.00 C ATOM 1743 C ASP A 108 116.188 1.347 -14.423 1.00 0.00 C ATOM 1744 O ASP A 108 115.338 0.577 -13.978 1.00 0.00 O ATOM 1745 CB ASP A 108 116.740 3.768 -14.155 1.00 0.00 C ATOM 1746 CG ASP A 108 118.128 3.719 -14.785 1.00 0.00 C ATOM 1747 OD1 ASP A 108 118.239 4.057 -15.952 1.00 0.00 O ATOM 1748 OD2 ASP A 108 119.060 3.345 -14.091 1.00 0.00 O ATOM 0 H ASP A 108 114.003 2.383 -13.857 1.00 0.00 H new ATOM 0 HA ASP A 108 115.930 2.853 -15.925 1.00 0.00 H new ATOM 0 HB2 ASP A 108 116.328 4.774 -14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 108 116.807 3.541 -13.091 1.00 0.00 H new ATOM 1753 N GLU A 109 117.466 1.012 -14.562 1.00 0.00 N ATOM 1754 CA GLU A 109 117.944 -0.315 -14.190 1.00 0.00 C ATOM 1755 C GLU A 109 119.451 -0.291 -13.953 1.00 0.00 C ATOM 1756 O GLU A 109 120.055 0.777 -13.855 1.00 0.00 O ATOM 1757 CB GLU A 109 117.607 -1.329 -15.289 1.00 0.00 C ATOM 1758 CG GLU A 109 118.047 -0.795 -16.662 1.00 0.00 C ATOM 1759 CD GLU A 109 119.403 -1.379 -17.045 1.00 0.00 C ATOM 1760 OE1 GLU A 109 119.473 -2.580 -17.243 1.00 0.00 O ATOM 1761 OE2 GLU A 109 120.351 -0.616 -17.135 1.00 0.00 O ATOM 0 H GLU A 109 118.186 1.636 -14.927 1.00 0.00 H new ATOM 0 HA GLU A 109 117.447 -0.613 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 109 118.105 -2.277 -15.084 1.00 0.00 H new ATOM 0 HB3 GLU A 109 116.535 -1.526 -15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 109 117.305 -1.055 -17.416 1.00 0.00 H new ATOM 0 HG3 GLU A 109 118.106 0.293 -16.635 1.00 0.00 H new ATOM 1768 N GLU A 110 120.051 -1.473 -13.853 1.00 0.00 N ATOM 1769 CA GLU A 110 121.487 -1.570 -13.617 1.00 0.00 C ATOM 1770 C GLU A 110 121.860 -0.822 -12.340 1.00 0.00 C ATOM 1771 O GLU A 110 122.862 -0.109 -12.292 1.00 0.00 O ATOM 1772 CB GLU A 110 122.258 -0.988 -14.811 1.00 0.00 C ATOM 1773 CG GLU A 110 122.425 -2.062 -15.889 1.00 0.00 C ATOM 1774 CD GLU A 110 122.865 -1.419 -17.200 1.00 0.00 C ATOM 1775 OE1 GLU A 110 123.717 -0.548 -17.153 1.00 0.00 O ATOM 1776 OE2 GLU A 110 122.342 -1.806 -18.233 1.00 0.00 O ATOM 0 H GLU A 110 119.570 -2.369 -13.931 1.00 0.00 H new ATOM 0 HA GLU A 110 121.754 -2.620 -13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.723 -0.130 -15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 110 123.235 -0.630 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.163 -2.798 -15.570 1.00 0.00 H new ATOM 0 HG3 GLU A 110 121.485 -2.594 -16.033 1.00 0.00 H new ATOM 1783 N LEU A 111 121.042 -0.992 -11.305 1.00 0.00 N ATOM 1784 CA LEU A 111 121.287 -0.334 -10.025 1.00 0.00 C ATOM 1785 C LEU A 111 120.961 -1.286 -8.876 1.00 0.00 C ATOM 1786 O LEU A 111 119.795 -1.550 -8.586 1.00 0.00 O ATOM 1787 CB LEU A 111 120.422 0.936 -9.921 1.00 0.00 C ATOM 1788 CG LEU A 111 121.238 2.115 -9.361 1.00 0.00 C ATOM 1789 CD1 LEU A 111 121.700 1.804 -7.933 1.00 0.00 C ATOM 1790 CD2 LEU A 111 122.459 2.390 -10.256 1.00 0.00 C ATOM 0 H LEU A 111 120.207 -1.577 -11.327 1.00 0.00 H new ATOM 0 HA LEU A 111 122.339 -0.056 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 111 120.030 1.195 -10.905 1.00 0.00 H new ATOM 0 HB3 LEU A 111 119.564 0.744 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 111 120.604 3.002 -9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 111 122.276 2.644 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 111 120.830 1.637 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.322 0.909 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 111 123.028 3.226 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 111 123.092 1.503 -10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 111 122.124 2.636 -11.264 1.00 0.00 H new ATOM 1802 N LEU A 112 122.002 -1.802 -8.230 1.00 0.00 N ATOM 1803 CA LEU A 112 121.819 -2.729 -7.119 1.00 0.00 C ATOM 1804 C LEU A 112 121.437 -1.978 -5.846 1.00 0.00 C ATOM 1805 O LEU A 112 120.356 -1.395 -5.759 1.00 0.00 O ATOM 1806 CB LEU A 112 123.107 -3.526 -6.885 1.00 0.00 C ATOM 1807 CG LEU A 112 123.274 -4.590 -7.979 1.00 0.00 C ATOM 1808 CD1 LEU A 112 122.179 -5.659 -7.849 1.00 0.00 C ATOM 1809 CD2 LEU A 112 123.186 -3.926 -9.357 1.00 0.00 C ATOM 0 H LEU A 112 122.975 -1.596 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 112 121.011 -3.415 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 112 123.965 -2.854 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 112 123.076 -4.002 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 112 124.248 -5.067 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 112 122.307 -6.408 -8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 112 122.251 -6.137 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 112 121.200 -5.191 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 112 123.305 -4.682 -10.133 1.00 0.00 H new ATOM 0 HD22 LEU A 112 122.215 -3.443 -9.467 1.00 0.00 H new ATOM 0 HD23 LEU A 112 123.975 -3.181 -9.453 1.00 0.00 H new ATOM 1821 N GLU A 113 122.330 -1.999 -4.860 1.00 0.00 N ATOM 1822 CA GLU A 113 122.074 -1.320 -3.593 1.00 0.00 C ATOM 1823 C GLU A 113 122.599 0.112 -3.632 1.00 0.00 C ATOM 1824 O GLU A 113 122.159 0.920 -4.449 1.00 0.00 O ATOM 1825 CB GLU A 113 122.746 -2.082 -2.448 1.00 0.00 C ATOM 1826 CG GLU A 113 122.134 -3.480 -2.333 1.00 0.00 C ATOM 1827 CD GLU A 113 122.487 -4.093 -0.983 1.00 0.00 C ATOM 1828 OE1 GLU A 113 123.575 -3.824 -0.499 1.00 0.00 O ATOM 1829 OE2 GLU A 113 121.665 -4.820 -0.450 1.00 0.00 O ATOM 0 H GLU A 113 123.231 -2.475 -4.913 1.00 0.00 H new ATOM 0 HA GLU A 113 120.997 -1.293 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.818 -2.157 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.617 -1.539 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.051 -3.422 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.503 -4.115 -3.138 1.00 0.00 H new ATOM 1836 N ARG A 114 123.538 0.419 -2.740 1.00 0.00 N ATOM 1837 CA ARG A 114 124.109 1.759 -2.680 1.00 0.00 C ATOM 1838 C ARG A 114 123.003 2.797 -2.513 1.00 0.00 C ATOM 1839 O ARG A 114 122.215 3.024 -3.428 1.00 0.00 O ATOM 1840 CB ARG A 114 124.897 2.051 -3.959 1.00 0.00 C ATOM 1841 CG ARG A 114 126.126 1.137 -4.025 1.00 0.00 C ATOM 1842 CD ARG A 114 126.905 1.402 -5.321 1.00 0.00 C ATOM 1843 NE ARG A 114 126.969 0.187 -6.126 1.00 0.00 N ATOM 1844 CZ ARG A 114 125.966 -0.163 -6.924 1.00 0.00 C ATOM 1845 NH1 ARG A 114 124.902 0.589 -7.005 1.00 0.00 N ATOM 1846 NH2 ARG A 114 126.044 -1.257 -7.629 1.00 0.00 N ATOM 0 H ARG A 114 123.916 -0.236 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 114 124.781 1.813 -1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 114 124.265 1.891 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 114 125.207 3.096 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 114 126.768 1.313 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 114 125.816 0.093 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 114 126.422 2.198 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 114 127.913 1.745 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 114 127.799 -0.404 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 114 124.840 1.446 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 114 124.132 0.320 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 114 126.875 -1.845 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 114 125.274 -1.525 -8.241 1.00 0.00 H new ATOM 1860 N GLU A 115 122.948 3.419 -1.339 1.00 0.00 N ATOM 1861 CA GLU A 115 121.927 4.427 -1.063 1.00 0.00 C ATOM 1862 C GLU A 115 122.474 5.832 -1.299 1.00 0.00 C ATOM 1863 O GLU A 115 121.738 6.739 -1.688 1.00 0.00 O ATOM 1864 CB GLU A 115 121.447 4.305 0.387 1.00 0.00 C ATOM 1865 CG GLU A 115 121.458 2.834 0.807 1.00 0.00 C ATOM 1866 CD GLU A 115 120.662 1.999 -0.191 1.00 0.00 C ATOM 1867 OE1 GLU A 115 119.474 2.242 -0.322 1.00 0.00 O ATOM 1868 OE2 GLU A 115 121.252 1.128 -0.809 1.00 0.00 O ATOM 0 H GLU A 115 123.593 3.245 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 115 121.090 4.257 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 115 122.093 4.887 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 115 120.441 4.714 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 115 122.484 2.471 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 115 121.030 2.729 1.804 1.00 0.00 H new ATOM 1875 N LEU A 116 123.767 6.004 -1.055 1.00 0.00 N ATOM 1876 CA LEU A 116 124.409 7.302 -1.236 1.00 0.00 C ATOM 1877 C LEU A 116 124.433 7.698 -2.713 1.00 0.00 C ATOM 1878 O LEU A 116 124.233 8.862 -3.055 1.00 0.00 O ATOM 1879 CB LEU A 116 125.849 7.240 -0.693 1.00 0.00 C ATOM 1880 CG LEU A 116 126.133 8.454 0.201 1.00 0.00 C ATOM 1881 CD1 LEU A 116 127.475 8.261 0.908 1.00 0.00 C ATOM 1882 CD2 LEU A 116 126.190 9.720 -0.657 1.00 0.00 C ATOM 0 H LEU A 116 124.391 5.264 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 116 123.838 8.052 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 116 125.992 6.320 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 116 126.557 7.216 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 116 125.339 8.552 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 116 127.679 9.123 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 116 127.438 7.360 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 116 128.267 8.163 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 116 126.392 10.582 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 116 126.984 9.622 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.235 9.859 -1.164 1.00 0.00 H new ATOM 1894 N ALA A 117 124.665 6.719 -3.580 1.00 0.00 N ATOM 1895 CA ALA A 117 124.702 6.965 -5.018 1.00 0.00 C ATOM 1896 C ALA A 117 123.315 7.298 -5.569 1.00 0.00 C ATOM 1897 O ALA A 117 123.199 7.910 -6.628 1.00 0.00 O ATOM 1898 CB ALA A 117 125.303 5.771 -5.762 1.00 0.00 C ATOM 0 H ALA A 117 124.830 5.748 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 117 125.342 7.832 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 117 125.319 5.980 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 117 126.320 5.598 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 117 124.698 4.884 -5.575 1.00 0.00 H new ATOM 1904 N LEU A 118 122.267 6.863 -4.880 1.00 0.00 N ATOM 1905 CA LEU A 118 120.909 7.102 -5.367 1.00 0.00 C ATOM 1906 C LEU A 118 120.668 8.588 -5.621 1.00 0.00 C ATOM 1907 O LEU A 118 119.966 8.947 -6.565 1.00 0.00 O ATOM 1908 CB LEU A 118 119.883 6.598 -4.348 1.00 0.00 C ATOM 1909 CG LEU A 118 119.879 5.065 -4.318 1.00 0.00 C ATOM 1910 CD1 LEU A 118 118.952 4.580 -3.199 1.00 0.00 C ATOM 1911 CD2 LEU A 118 119.387 4.514 -5.665 1.00 0.00 C ATOM 0 H LEU A 118 122.325 6.352 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 118 120.795 6.560 -6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 118 120.120 6.988 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 118 118.891 6.967 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 118 120.893 4.708 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 118 118.948 3.490 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 118 119.307 4.961 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 118 117.940 4.943 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 118 119.388 3.424 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 118 118.375 4.871 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 118 120.049 4.855 -6.461 1.00 0.00 H new ATOM 1923 N LEU A 119 121.216 9.454 -4.775 1.00 0.00 N ATOM 1924 CA LEU A 119 120.993 10.886 -4.946 1.00 0.00 C ATOM 1925 C LEU A 119 121.430 11.320 -6.346 1.00 0.00 C ATOM 1926 O LEU A 119 121.074 12.404 -6.810 1.00 0.00 O ATOM 1927 CB LEU A 119 121.768 11.673 -3.879 1.00 0.00 C ATOM 1928 CG LEU A 119 120.953 11.760 -2.573 1.00 0.00 C ATOM 1929 CD1 LEU A 119 119.844 12.808 -2.714 1.00 0.00 C ATOM 1930 CD2 LEU A 119 120.333 10.400 -2.242 1.00 0.00 C ATOM 0 H LEU A 119 121.804 9.199 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 119 119.930 11.095 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 119 122.725 11.189 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 119 121.986 12.676 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 119 121.624 12.052 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 119 119.274 12.862 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 119 120.288 13.781 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 119 119.180 12.528 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 119 119.761 10.476 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 119 119.673 10.094 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 119 121.124 9.660 -2.119 1.00 0.00 H new ATOM 1942 N VAL A 120 122.201 10.468 -7.012 1.00 0.00 N ATOM 1943 CA VAL A 120 122.682 10.762 -8.359 1.00 0.00 C ATOM 1944 C VAL A 120 121.508 11.035 -9.297 1.00 0.00 C ATOM 1945 O VAL A 120 121.694 11.312 -10.482 1.00 0.00 O ATOM 1946 CB VAL A 120 123.450 9.541 -8.881 1.00 0.00 C ATOM 1947 CG1 VAL A 120 123.772 9.724 -10.370 1.00 0.00 C ATOM 1948 CG2 VAL A 120 124.757 9.388 -8.091 1.00 0.00 C ATOM 0 H VAL A 120 122.507 9.568 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 120 123.324 11.642 -8.325 1.00 0.00 H new ATOM 0 HB VAL A 120 122.837 8.649 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 120 124.317 8.853 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 120 122.844 9.832 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 120 124.383 10.617 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL A 120 125.305 8.521 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 120 125.366 10.283 -8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 120 124.529 9.251 -7.034 1.00 0.00 H new ATOM 1958 N SER A 121 120.297 10.965 -8.748 1.00 0.00 N ATOM 1959 CA SER A 121 119.088 11.213 -9.528 1.00 0.00 C ATOM 1960 C SER A 121 118.555 12.613 -9.245 1.00 0.00 C ATOM 1961 O SER A 121 117.987 13.264 -10.122 1.00 0.00 O ATOM 1962 CB SER A 121 118.021 10.177 -9.175 1.00 0.00 C ATOM 1963 OG SER A 121 117.337 10.592 -8.000 1.00 0.00 O ATOM 0 H SER A 121 120.128 10.739 -7.768 1.00 0.00 H new ATOM 0 HA SER A 121 119.333 11.134 -10.587 1.00 0.00 H new ATOM 0 HB2 SER A 121 117.317 10.067 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 121 118.482 9.202 -9.017 1.00 0.00 H new ATOM 0 HG SER A 121 116.650 9.931 -7.771 1.00 0.00 H new ATOM 1969 N ALA A 122 118.744 13.070 -8.010 1.00 0.00 N ATOM 1970 CA ALA A 122 118.284 14.395 -7.610 1.00 0.00 C ATOM 1971 C ALA A 122 118.908 14.791 -6.277 1.00 0.00 C ATOM 1972 O ALA A 122 118.613 14.194 -5.241 1.00 0.00 O ATOM 1973 CB ALA A 122 116.760 14.404 -7.484 1.00 0.00 C ATOM 0 H ALA A 122 119.211 12.544 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 122 118.587 15.113 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 122 116.426 15.397 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 122 116.314 14.145 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 122 116.453 13.676 -6.733 1.00 0.00 H new ATOM 1979 N HIS A 123 119.778 15.795 -6.308 1.00 0.00 N ATOM 1980 CA HIS A 123 120.442 16.253 -5.094 1.00 0.00 C ATOM 1981 C HIS A 123 119.439 16.893 -4.135 1.00 0.00 C ATOM 1982 O HIS A 123 119.314 16.473 -2.986 1.00 0.00 O ATOM 1983 CB HIS A 123 121.551 17.254 -5.447 1.00 0.00 C ATOM 1984 CG HIS A 123 120.951 18.593 -5.777 1.00 0.00 C ATOM 1985 ND1 HIS A 123 120.989 19.659 -4.891 1.00 0.00 N ATOM 1986 CD2 HIS A 123 120.293 19.056 -6.890 1.00 0.00 C ATOM 1987 CE1 HIS A 123 120.370 20.699 -5.478 1.00 0.00 C ATOM 1988 NE2 HIS A 123 119.927 20.385 -6.699 1.00 0.00 N ATOM 0 H HIS A 123 120.038 16.303 -7.153 1.00 0.00 H new ATOM 0 HA HIS A 123 120.886 15.390 -4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 123 122.243 17.353 -4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 123 122.128 16.886 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 123 120.090 18.477 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 123 120.246 21.669 -5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 123 119.428 20.990 -7.351 1.00 0.00 H new ATOM 1996 N ASP A 124 118.735 17.915 -4.614 1.00 0.00 N ATOM 1997 CA ASP A 124 117.750 18.614 -3.791 1.00 0.00 C ATOM 1998 C ASP A 124 118.390 19.129 -2.503 1.00 0.00 C ATOM 1999 O ASP A 124 117.732 19.774 -1.686 1.00 0.00 O ATOM 2000 CB ASP A 124 116.581 17.675 -3.459 1.00 0.00 C ATOM 2001 CG ASP A 124 116.890 16.852 -2.210 1.00 0.00 C ATOM 2002 OD1 ASP A 124 116.873 17.421 -1.130 1.00 0.00 O ATOM 2003 OD2 ASP A 124 117.140 15.666 -2.352 1.00 0.00 O ATOM 0 H ASP A 124 118.827 18.277 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 124 117.374 19.468 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 124 115.673 18.257 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 124 116.391 17.010 -4.301 1.00 0.00 H new ATOM 2008 N ASP A 125 119.675 18.838 -2.326 1.00 0.00 N ATOM 2009 CA ASP A 125 120.391 19.274 -1.133 1.00 0.00 C ATOM 2010 C ASP A 125 120.105 20.743 -0.840 1.00 0.00 C ATOM 2011 O ASP A 125 119.727 21.040 0.281 1.00 0.00 O ATOM 2012 CB ASP A 125 121.895 19.072 -1.326 1.00 0.00 C ATOM 2013 CG ASP A 125 122.236 17.587 -1.255 1.00 0.00 C ATOM 2014 OD1 ASP A 125 122.290 17.063 -0.155 1.00 0.00 O ATOM 2015 OD2 ASP A 125 122.435 16.995 -2.303 1.00 0.00 O ATOM 2016 OXT ASP A 125 120.265 21.548 -1.741 1.00 0.00 O ATOM 0 H ASP A 125 120.238 18.306 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 125 120.049 18.676 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 125 122.204 19.479 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 125 122.445 19.617 -0.558 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.627 3.551 13.414 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.798 2.731 14.634 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.271 3.979 12.998 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.310 2.768 12.181 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.541 2.440 11.020 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.299 1.516 10.059 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.348 0.710 9.345 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.145 2.257 9.008 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.550 2.238 9.337 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.923 1.444 7.744 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.870 0.375 7.633 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.510 0.919 7.939 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.459 1.855 7.501 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.542 2.537 8.250 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.734 3.297 7.574 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.145 3.107 6.257 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.642 3.673 5.056 1.00 0.00 C HETATM 2039 O6 C2E A 501 101.718 4.468 4.919 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.340 3.217 3.945 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.392 2.327 3.983 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.926 1.992 2.810 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.868 1.796 5.111 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.201 2.226 6.204 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.094 2.007 10.839 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.446 0.796 11.393 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.571 2.103 10.814 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.526 3.287 11.624 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.662 4.594 11.069 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.278 5.667 12.080 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.622 6.965 11.586 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.799 5.709 12.427 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.544 4.869 13.559 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.587 7.163 12.804 1.00 0.00 C HETATM 2055 O2A C2E A 501 106.920 7.409 14.175 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.543 7.878 11.854 1.00 0.00 C HETATM 2057 N91 C2E A 501 106.952 8.230 10.547 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.125 7.608 9.347 1.00 0.00 C HETATM 2059 N71 C2E A 501 106.481 8.135 8.350 1.00 0.00 N HETATM 2060 C51 C2E A 501 105.817 9.210 8.929 1.00 0.00 C HETATM 2061 C61 C2E A 501 104.954 10.166 8.329 1.00 0.00 C HETATM 2062 O61 C2E A 501 104.605 10.247 7.154 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.492 11.087 9.257 1.00 0.00 N HETATM 2064 C21 C2E A 501 104.820 11.092 10.599 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.274 12.063 11.334 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.634 10.190 11.169 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.095 9.282 10.278 1.00 0.00 C HETATM 0 HO2A C2E A 501 106.934 6.561 14.666 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.601 0.519 8.269 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.654 12.746 10.898 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.476 12.122 12.332 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.707 1.337 2.774 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.554 2.390 1.948 1.00 0.00 H new HETATM 0 HN11 C2E A 501 103.862 11.816 8.923 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.691 4.748 10.745 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.032 4.683 10.184 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.613 1.958 11.327 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.267 3.357 10.498 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.052 3.567 3.031 1.00 0.00 H new HETATM 0 H81 C2E A 501 107.760 6.729 9.232 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.492 2.450 9.335 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.832 5.401 12.980 1.00 0.00 H new HETATM 0 H4' C2E A 501 106.978 0.930 10.678 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.148 5.367 11.622 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.862 3.307 8.928 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.552 7.493 12.715 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.050 2.021 6.828 1.00 0.00 H new HETATM 0 H1A C2E A 501 107.841 8.809 12.337 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.398 0.017 7.337 1.00 0.00 H new HETATM 2090 P1 C2E A 502 102.280 12.099 2.805 1.00 0.00 P HETATM 2091 O2P C2E A 502 101.501 12.340 1.570 1.00 0.00 O HETATM 2092 O1P C2E A 502 103.461 11.207 2.771 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.271 11.558 3.938 1.00 0.00 O HETATM 2094 C5' C2E A 502 101.685 10.606 4.930 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.755 10.668 6.144 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.467 9.347 6.612 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.284 11.492 7.318 1.00 0.00 C HETATM 2098 O3' C2E A 502 100.445 12.636 7.484 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.144 10.596 8.544 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.065 11.026 9.381 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.884 9.216 7.973 1.00 0.00 C HETATM 2102 N9 C2E A 502 102.061 8.334 8.017 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.872 7.890 7.011 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.804 7.062 7.387 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.590 6.940 8.759 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.283 6.165 9.731 1.00 0.00 C HETATM 2107 O6 C2E A 502 105.247 5.421 9.566 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.735 6.331 10.999 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.663 7.139 11.300 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.285 7.162 12.578 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.013 7.867 10.392 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.528 7.719 9.149 1.00 0.00 C HETATM 2113 P11 C2E A 502 101.087 14.107 7.594 1.00 0.00 P HETATM 2114 O21 C2E A 502 99.999 15.100 7.455 1.00 0.00 O HETATM 2115 O11 C2E A 502 101.969 14.137 8.786 1.00 0.00 O HETATM 2116 O5A C2E A 502 102.015 14.190 6.279 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.095 15.124 6.222 1.00 0.00 C HETATM 2118 C4A C2E A 502 103.945 14.950 4.962 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.329 15.103 5.296 1.00 0.00 O HETATM 2120 C3A C2E A 502 103.840 13.584 4.306 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.743 13.527 3.395 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.147 13.507 3.547 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.088 14.230 2.313 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.101 14.156 4.536 1.00 0.00 C HETATM 2125 N91 C2E A 502 106.678 13.179 5.463 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.437 12.995 6.793 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.022 11.962 7.318 1.00 0.00 N HETATM 2128 C51 C2E A 502 107.714 11.410 6.241 1.00 0.00 C HETATM 2129 C61 C2E A 502 108.540 10.261 6.185 1.00 0.00 C HETATM 2130 O61 C2E A 502 108.801 9.475 7.085 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.051 10.060 4.910 1.00 0.00 N HETATM 2132 C21 C2E A 502 108.795 10.861 3.819 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.371 10.502 2.671 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.014 11.942 3.867 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.512 12.154 5.106 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.152 14.383 2.068 1.00 0.00 H new HETATM 0 HO2' C2E A 502 99.617 11.793 8.968 1.00 0.00 H new HETATM 0 HN24 C2E A 502 109.964 9.673 2.635 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.218 11.056 1.829 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.497 7.741 12.866 1.00 0.00 H new HETATM 0 HN21 C2E A 502 102.784 6.600 13.268 1.00 0.00 H new HETATM 0 HN11 C2E A 502 109.664 9.257 4.770 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.697 16.138 6.253 1.00 0.00 H new HETATM 0 H511 C2E A 502 103.725 15.002 7.103 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 101.676 9.602 4.507 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 102.710 10.813 5.237 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.162 5.812 11.767 1.00 0.00 H new HETATM 0 H81 C2E A 502 105.801 13.665 7.371 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.748 8.204 5.975 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.566 15.702 4.270 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.859 11.174 5.784 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.675 12.773 5.016 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.313 11.819 7.165 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.431 12.498 3.249 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.030 10.620 9.178 1.00 0.00 H new HETATM 0 H1A C2E A 502 106.923 14.621 3.992 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.112 8.759 8.592 1.00 0.00 H new